openms-common 1.11.1-3 / usr / share / openms-common / OpenMS / CHEMISTRY / HMDB2StructMapping.tsv

HMDB43280	TG(15:0/20:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h25-26,51H,4-24,27-50H2,1-3H3/b26-25-
HMDB50478	TG(20:1(11Z)/18:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,35,58H,4-15,17-18,20,22-23,27,30-32,34,36-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-
HMDB06525	(+)-a-Pinene	CC1=CCC2CC1C2(C)C	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
HMDB06524	3-Indoleacetonitrile	N#CCC1=CNC2=C1C=CC=C2	InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
HMDB55109	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-8,10-11,13-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51-
HMDB06526	Tetracosanoyl-CoA	[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38+,39?,40+,44-/m1/s1
HMDB06521	cis-Vaccenoyl CoA	CCCCCC\C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b10-9+/t28-,32?,33+,34+,38-/m1/s1
HMDB06523	Arachidonyl-CoA	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34?,35+,36+,40-/m1/s1
HMDB06522	trans-3-Hexenoyl-CoA	CC\C=C\CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5+/t16-,20-,21-,22?,26-/m1/s1
HMDB52331	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,42-43,45-46,52,55,66H,4-7,10,13-16,19,22-24,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-
HMDB52330	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,42-43,45-46,66H,4-7,10,13-16,19,22-24,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-
HMDB52333	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,44,47,53,56,68H,4-8,10-11,13-17,19-20,22-24,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,47-44-,56-53-
HMDB52332	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,63H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-
HMDB06529	trans-Octadec-2-enoyl-CoA	CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b19-18+/t28-,32?,33+,34+,38-/m1/s1
HMDB06528	Docosapentaenoic acid	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O	InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-
HMDB52337	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,40-41,43,49,52,64H,4-8,10-11,13-16,19,22-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB52336	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,39,42,48,51,63H,4-7,9-10,12-14,16,19,21-23,30-38,40-41,43-47,49-50,52-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,42-39-,51-48-
HMDB54278	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB54279	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB01069	2-Phenylaminoadenosine	NC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC(NC2=CC=CC=C2)=N1	InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)
HMDB01068	D-Sedoheptulose 7-phosphate	OCC1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7?/m1/s1
HMDB01065	2-Hydroxyphenethylamine	NCC(O)C1=CC=CC=C1	InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
HMDB01064	Linoleoyl-CoA	CCCCC\C=C\C\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8+,12-11+
HMDB01067	N-Acetylaspartylglutamic acid	CC(=O)NC(CC(O)=O)C(=O)NC(CCC(O)=O)C(O)=O	InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)
HMDB01066	S-Lactoylglutathione	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1
HMDB01061	Iodate	[O-][I](=O)=O	InChI=1S/HIO3/c2-1(3)4/h(H,2,3,4)/p-1
HMDB01060	Ubiquinol 8	COC1=C(OC)C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1O	InChI=1S/C49H78O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34,46-47,50-51H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
HMDB01063	3-Hexaprenyl-4,5-Dihydroxybenzoic acid	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O	InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+
HMDB01062	N-Acetyl-D-Glucosamine 6-Phosphate	CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
HMDB40109	4-Ethyl-2-pentylthiazole	CCCCCC1=NC(CC)=CS1	InChI=1S/C10H17NS/c1-3-5-6-7-10-11-9(4-2)8-12-10/h8H,3-7H2,1-2H3
HMDB40108	2-(1-Methylethyl)-4-propylthiazole	CCCC1=CSC(=N1)C(C)C	InChI=1S/C9H15NS/c1-4-5-8-6-11-9(10-8)7(2)3/h6-7H,4-5H2,1-3H3
HMDB40105	4-Ethyl-2-propylthiazole	CCCC1=NC(CC)=CS1	InChI=1S/C8H13NS/c1-3-5-8-9-7(4-2)6-10-8/h6H,3-5H2,1-2H3
HMDB40104	2-Ethyl-4-propylthiazole	CCCC1=CSC(CC)=N1	InChI=1S/C8H13NS/c1-3-5-7-6-10-8(4-2)9-7/h6H,3-5H2,1-2H3
HMDB40107	2,4-Dipropylthiazole	CCCC1=NC(CCC)=CS1	InChI=1S/C9H15NS/c1-3-5-8-7-11-9(10-8)6-4-2/h7H,3-6H2,1-2H3
HMDB40106	4-Methyl-2-pentylthiazole	CCCCCC1=NC(C)=CS1	InChI=1S/C9H15NS/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-6H2,1-2H3
HMDB40101	2,4-Diethylthiazole	CCC1=NC(CC)=CS1	InChI=1S/C7H11NS/c1-3-6-5-9-7(4-2)8-6/h5H,3-4H2,1-2H3
HMDB40100	2-Methyl-4-(1-methylethyl)thiazole	CC(C)C1=CSC(C)=N1	InChI=1S/C7H11NS/c1-5(2)7-4-9-6(3)8-7/h4-5H,1-3H3
HMDB40103	4-Butyl-2-methylthiazole	CCCCC1=CSC(C)=N1	InChI=1S/C8H13NS/c1-3-4-5-8-6-10-7(2)9-8/h6H,3-5H2,1-2H3
HMDB40102	2-Butyl-4-methylthiazole	CCCCC1=NC(C)=CS1	InChI=1S/C8H13NS/c1-3-4-5-8-9-7(2)6-10-8/h6H,3-5H2,1-2H3
HMDB48378	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,29-30,34,37,43,46,55H,4-6,8-9,11-13,20-22,27-28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,37-34-,46-43-
HMDB48379	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,44,47,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-
HMDB48376	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-31,34,37,43,46,55H,4-6,8-9,11-14,17,21-22,25,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-,46-43-
HMDB48377	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,35-36,38,42,45,54H,4-6,8-9,11-14,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-
HMDB48374	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,31,33,37,40,46,49,58H,4-7,9-10,12-14,16,19,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-
HMDB48375	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,35,39,42,48,51,60H,4-7,9-10,12-14,16,19,21-23,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-32-,42-39-,51-48-
HMDB48372	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,35,38,44,47,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,47-44-
HMDB48373	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,8-9,11-14,17,20-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB48370	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,42,45,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,45-42-
HMDB48371	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,33,36,42,45,54H,4-6,8-9,11-14,17,20-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,36-33-,45-42-
HMDB51738	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,40,43,49,52,64H,4-15,17,20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB37734	Isobutyl 2-furanpropionate	CC(C)COC(=O)CCC1=CC=CO1	InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
HMDB37735	Isoamyl 2-furonpropionate	CC(C)CCOC(=O)CCC1=CC=CO1	InChI=1S/C12H18O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-4,8,10H,5-7,9H2,1-2H3
HMDB51730	TG(22:1(13Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,61H,4-16,18-19,21-24,27,30-35,37-38,40-60H2,1-3H3/b20-17-,28-25-,29-26-,39-36-
HMDB51731	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,49,52,64H,4-17,19-20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB51732	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,51,54,66H,4-17,19-20,22-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-,54-51-
HMDB51733	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35,37,40,46,49,61H,4-16,18-19,22-23,27,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-30-,40-37-,49-46-
HMDB51734	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,39-40,43,45,48,60H,4-16,19,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB37736	3-Methylbutyl 2-furanbutanoate	CC(C)CCOC(=O)CCCC1=CC=CO1	InChI=1S/C13H20O3/c1-11(2)8-10-16-13(14)7-3-5-12-6-4-9-15-12/h4,6,9,11H,3,5,7-8,10H2,1-2H3
HMDB51736	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,38-39,41,47,50,62H,4-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB51737	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB37737	C.I. Pigment Blue 63	[Al+3].OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1	InChI=1S/C16H10N2O8S2.Al/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+3/b14-13+;
HMDB09802	PI(16:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,33,36-41,44-48H,3-6,8,10-12,14,16-32H2,1-2H3,(H,49,50)/b9-7-,15-13-/t33-,36?,37-,38?,39?,40?,41-/m1/s1
HMDB37730	Furfuryl octanoate	CCCCCCCC(=O)OCC1=CC=CO1	InChI=1S/C13H20O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h7-8,10H,2-6,9,11H2,1H3
HMDB37731	S-(2-Furanylmethyl) methanethioate	O=CSCC1=CC=CO1	InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2
HMDB09278	PE(20:1(11Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,47H,3-16,21-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-/t47-/m1/s1
HMDB09279	PE(20:1(11Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,33,36,40H,3-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,36-33-/t40-/m1/s1
HMDB37732	S-(2-Furanylmethyl) propanethioate	CCC(=O)SCC1=CC=CO1	InChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
HMDB09270	PE(20:1(11Z)/22:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,45H,3-17,19,21-44,48H2,1-2H3,(H,51,52)/b20-18-/t45-/m1/s1
HMDB09271	PE(20:1(11Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,45H,3-16,21-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-/t45-/m1/s1
HMDB09272	PE(20:1(11Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,45H,3-10,12,14-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-/t45-/m1/s1
HMDB09273	PE(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,45H,3-10,12,14-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1
HMDB09274	PE(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,34,36,45H,3-10,12,14-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1
HMDB09275	PE(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,45H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1
HMDB09276	PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,34,36,45H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1
HMDB09277	PE(20:1(11Z)/24:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,47H,3-17,19,21-46,50H2,1-2H3,(H,53,54)/b20-18-/t47-/m1/s1
HMDB33248	Di-alpha-furfuryl ether	C(OCC1=CC=CO1)C1=CC=CO1	InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2
HMDB33249	6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine	CC(C)NC1=NC(N)=NC(Cl)=N1	InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
HMDB05768	Kyotorphin	N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1
HMDB05769	Balenine	CN1C=NC(C[C@H](NC(=O)CCN)C(O)=O)=C1	InChI=1S/C10H16N4O3/c1-14-5-7(12-6-14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
HMDB33240	Grevilline B	OC1=CC=C(C=C1)C1=C(O)C(=O)O\C(=C\C2=CC(O)=C(O)C=C2)C1=O	InChI=1S/C18H12O7/c19-11-4-2-10(3-5-11)15-16(22)14(25-18(24)17(15)23)8-9-1-6-12(20)13(21)7-9/h1-8,19-21,23H/b14-8+
HMDB33241	Glycylalanylprolylmethionylphenylalanylvalinamide	CSCCC(NC(=O)C1CCCN1C(=O)C(C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O	InChI=1S/C29H45N7O6S/c1-17(2)24(25(31)38)35-27(40)21(15-19-9-6-5-7-10-19)34-26(39)20(12-14-43-4)33-28(41)22-11-8-13-36(22)29(42)18(3)32-23(37)16-30/h5-7,9-10,17-18,20-22,24H,8,11-16,30H2,1-4H3,(H2,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,40)
HMDB05760	Dihydrodaidzein	OC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O	InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2
HMDB33243	Corchorifatty acid D	CCC(O)\C=C\C=C\C=C\C(=O)CCCCCCCC(O)=O	InChI=1S/C18H28O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14,16,19H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+
HMDB05766	Norophthalmic acid	C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
HMDB05767	Homoanserine	CN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O	InChI=1S/C11H18N4O3/c1-15-7-13-6-8(15)5-9(11(17)18)14-10(16)3-2-4-12/h6-7,9H,2-5,12H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1
HMDB05764	Melanostatin	CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O	InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
HMDB05765	Ophthalmic acid	CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
HMDB46628	TG(22:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB46629	TG(22:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-,57-54-
HMDB46626	TG(22:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-
HMDB46627	TG(22:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-
HMDB46624	TG(22:0/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-
HMDB46625	TG(22:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,44,47,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-,47-44-
HMDB46622	TG(22:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,36,39,45,48,68H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-
HMDB46623	TG(22:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,36,39,45,48,54,57,68H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-,57-54-
HMDB46620	TG(22:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-
HMDB46621	TG(22:0/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,68H,4-16,18-19,21-24,27,30-67H2,1-3H3/b20-17-,28-25-,29-26-
HMDB49421	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-15,17,22,24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-
HMDB49420	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30-31,33,36,39-40,43,58H,4-15,17,22,24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-
HMDB49423	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,30,34,36-37,39,54H,4-6,8-9,11-15,17,22,24,26,29,31-33,35,38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-,39-36-
HMDB49422	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,30,36,39,54H,4-6,8-9,11-15,17,22,24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,30-27-,39-36-
HMDB49425	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-6,8-9,11-15,17,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB49424	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,31-32,34,38,41,56H,4-6,8-9,11-15,17,22,24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-
HMDB49427	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-6,8-9,11-15,17,22,24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-
HMDB49426	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-28,30-31,33,36,39-40,43,58H,4-6,8-9,11-15,17,22,24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-
HMDB49429	TG(18:1(11Z)/20:2n6/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,20-25,55H,4-12,14-15,17-19,26-54H2,1-3H3/b16-13-,23-20-,24-21-,25-22-
HMDB49428	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,30,36,39,55H,4-17,19,22,24-26,28-29,31-35,37-38,40-54H2,1-3H3/b21-18-,23-20-,30-27-,39-36-
HMDB02082	Bisnorcholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C(O)=O	InChI=1S/C22H36O5/c1-11(20(26)27)14-4-5-15-19-16(10-18(25)22(14,15)3)21(2)7-6-13(23)8-12(21)9-17(19)24/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12-,13+,14+,15-,16-,17+,18-,19-,21-,22+/m0/s1
HMDB02080	Petroselinic acid	CCCCCCCCCCC\C=C/CCCCC([O-])=O	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-
HMDB02086	Adenosylcobalamin	C[C@@]12[C@H](C3N4C1=C(C1=[N]5C(=CC6=[N]7[Co+]45([N]4=CN(C5=C4C=C(C(C)=C5)C)[C@H]4O[C@H](CO)[C@@H](OP([O-])(O[C@@H](CNC(=O)CC2)C)=O)[C@H]4O)([N]2=C([C@H]([C@](C)(CC(=O)N)[C@]32C)CCC(=O)N)C(C)=C7[C@](C)([C@@H]6CCC(=O)N)CC(=O)N)C[C@@H]2[C@@H](O)[C@@H](O)[C@H](N3C4=C(C(N)=NC=N4)N=C3)O2)C([C@@H]1CCC(=O)N)(C)C)C)CC(N)=O	InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1
HMDB02087	Isovalerylsarcosine	CC(C)CC(=O)N(C)CC(O)=O	InChI=1S/C8H15NO3/c1-6(2)4-7(10)9(3)5-8(11)12/h6H,4-5H2,1-3H3,(H,11,12)
HMDB02084	Cyanide	C#[N-]	InChI=1S/CHN/c1-2/h1H/q-1
HMDB02085	Syringic acid	COC1=CC(=CC(OC)=C1O)C(O)=O	InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
HMDB02088	N-Oleoylethanolamine	CCCCCCCC\C=C/CCCCCCCC(=O)NCCO	InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
HMDB02089	N-Ribosylhistidine	N[C@@H](CC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O	InChI=1S/C11H17N3O6/c12-6(11(18)19)1-5-2-14(4-13-5)10-9(17)8(16)7(3-15)20-10/h2,4,6-10,15-17H,1,3,12H2,(H,18,19)/t6-,7+,8+,9+,10+/m0/s1
HMDB46194	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-
HMDB46195	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34,37,43,46,64H,4-7,9-10,12-15,18,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-
HMDB46196	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,64H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB46197	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51,54,64H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-
HMDB46190	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,32,34-35,40,43,61H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31,33,36-39,41-42,44-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,35-30-,43-40-
HMDB46191	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-
HMDB46192	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,32,34,40,43,61H,4-6,8-9,11-14,17,20-23,26,29-31,33,35-39,41-42,44-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,34-32-,43-40-
HMDB46193	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35-36,39,41,44,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-
HMDB46198	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,39,42,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-
HMDB46199	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-
HMDB55108	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,36,39-40,43,45,48,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44,46-47,49-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-,48-45-
HMDB55103	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,38-41,43,45,48,58H,4-7,10,13-15,22-24,29,34-35,37,42,44,46-47,49-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-,48-45-
HMDB55102	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,39-40,43,45,48,58H,4-7,10,13-15,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-
HMDB55101	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,39-40,42-44,47-49,51-52,62H,4-8,10-11,13-15,22-24,30-31,37-38,41,45-46,50,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-,52-49-
HMDB32199	Chymosin preparation, escherichia coli k-12	OC1=CC=CC(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)C2=CC=CC(O)=C2O)NC(=O)C2=CC=CC(O)=C2O)=C1O	InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1
HMDB32198	Cellulose triacetate	ClC1=CC(Cl)=C2C(NCCCCCCC(=O)NCCC3=CNC4=CC=CC=C34)=C3CCCCC3=NC2=C1	InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
HMDB03689	Neuroprotectin D1	CC\C=C/C[C@H](O)\C=C/C=C/C=C/[C@H](O)C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1
HMDB32193	alpha-Campholene acetate	CC(=O)OCCC1CC=C(C)C1(C)C	InChI=1S/C12H20O2/c1-9-5-6-11(12(9,3)4)7-8-14-10(2)13/h5,11H,6-8H2,1-4H3
HMDB52335	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36,38,41-42,45,47,50,62H,4-7,9-10,12-16,19,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB32197	Cellulose, microcrystalline	COC1OC(CO)C(OC2OC(CO)C(OC)C(O)C2O)C(O)C1O	InChI=1S/C14H26O11/c1-21-11-5(3-15)24-14(10(20)7(11)17)25-12-6(4-16)23-13(22-2)9(19)8(12)18/h5-20H,3-4H2,1-2H3
HMDB03681	4-Acetamidobutanoic acid	CC(=O)NCCCC(O)=O	InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
HMDB52334	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,37,39,42,48,51,63H,4-7,9-10,12-16,18-19,22-23,27,31-36,38,40-41,43-47,49-50,52-62H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-30-,42-39-,51-48-
HMDB47571	TG(24:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-
HMDB47570	TG(24:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,39,45,48,62H,4-8,10-11,13-16,19,22-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,48-45-
HMDB47573	TG(24:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,41,44,50,53,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,53-50-
HMDB47572	TG(24:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,41,44,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-
HMDB47575	TG(24:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,34-35,40,43,60H,4-7,10,13-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,43-40-
HMDB47574	TG(24:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,34-35,60H,4-7,10,13-16,19,22-25,28-33,36-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-
HMDB47577	TG(24:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,39,45,48,62H,4-7,10,13-16,19,22-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,48-45-
HMDB47576	TG(24:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,39,62H,4-7,10,13-16,19,22-25,28,30-35,38,40-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,39-37-
HMDB47579	TG(24:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,41,44,50,53,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,53-50-
HMDB47578	TG(24:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,41,44,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-
HMDB55104	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-7,10,13-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-
HMDB03355	5-Aminopentanoic acid	NCCCCC(O)=O	InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
HMDB39672	Tolualdehyde glyceryl acetal	CC1=CC=C(C=C1)C1OCC(CO)O1.CC1=CC=C(C=C1)C1OCC(O)CO1.CC1=CC(=CC=C1)C1OCC(CO)O1.CC1=CC(=CC=C1)C1OCC(O)CO1.CC1=CC=CC=C1C1OCC(CO)O1.CC1=CC=CC=C1C1OCC(O)CO1	InChI=1S/6C11H14O3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11;1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11;1-8-3-2-4-9(5-8)11-13-6-10(12)7-14-11;1-8-3-2-4-9(5-8)11-13-7-10(6-12)14-11;1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11;1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h4*2-5,10-12H,6-7H2,1H3;2*2-5,9,11-12H,6-7H2,1H3
HMDB03357	N-Acetylornithine	CC(=O)N[C@@H](CCCN)C(O)=O	InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
HMDB39670	3,3'-Dithiobis[4,5-dihydro-2-methylfuran]	CC1=C(CCO1)SSC1=C(C)OCC1	InChI=1S/C10H14O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H2,1-2H3
HMDB03351	GDP-glucose	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1
HMDB39676	5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one	CCC1CC=C(N2CCCC2)C1=O	InChI=1S/C11H17NO/c1-2-9-5-6-10(11(9)13)12-7-3-4-8-12/h6,9H,2-5,7-8H2,1H3
HMDB39675	3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one	CCC1=C(N2CCCC2)C(=O)CC1	InChI=1S/C11H17NO/c1-2-9-5-6-10(13)11(9)12-7-3-4-8-12/h2-8H2,1H3
HMDB03352	Menthol	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
HMDB39679	5-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one	CC1CC=C(N2CCCC2)C1=O	InChI=1S/C10H15NO/c1-8-4-5-9(10(8)12)11-6-2-3-7-11/h5,8H,2-4,6-7H2,1H3
HMDB39678	3-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one	CC1=C(N2CCCC2)C(=O)CC1	InChI=1S/C10H15NO/c1-8-4-5-9(12)10(8)11-6-2-3-7-11/h2-7H2,1H3
HMDB31084	2-Pentylfuran	CCCCCC1=CC=CO1	InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
HMDB31085	6-Pentyl-2H-pyran-2-one	CCCCCC1=CC=CC(=O)O1	InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
HMDB31086	(Z)-7-Hexadecen-1,16-olide	O=C1CCCCC\C=C/CCCCCCCCO1	InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-
HMDB31087	trans-2-Hexyl-1-cyclopropaneacetic acid	CCCCCCC1CC1CC(O)=O	InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
HMDB31080	Momordenol	CCC(CCC(C)C1C(=O)C=C2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)27-26(31)17-25-23-11-10-21-16-22(30)12-14-28(21,5)24(23)13-15-29(25,27)6/h10,17-20,22-24,27,30H,7-9,11-16H2,1-6H3
HMDB31081	2-Pentadecanone	CCCCCCCCCCCCCC(C)=O	InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
HMDB31082	1-Pentadecene	CCCCCCCCCCCCCC=C	InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
HMDB31083	(E)-7-Pentadecene	CCCCCCC\C=C\CCCCCC	InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h13,15H,3-12,14H2,1-2H3/b15-13+
HMDB57192	CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB57193	CL(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37,39-40,42,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB56907	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-9,12-13,16-20,24,28-32,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57191	CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB31088	12,13-Epoxy-9,15-octadecadienoic acid	CC\C=C/CC1OC1C\C=C\CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8+
HMDB31089	Glycerol triundecanoate	CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC	InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3
HMDB57194	CL(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,35,37,39-40,42,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB47660	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-37-,50-47-
HMDB40929	Batatasin II	COC1=C(OC)C(O)=C(O)C(CCC2=CC=CC=C2)=C1	InChI=1S/C16H18O4/c1-19-13-10-12(14(17)15(18)16(13)20-2)9-8-11-6-4-3-5-7-11/h3-7,10,17-18H,8-9H2,1-2H3
HMDB40928	2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran	CCCCCCCCC1=CC=C(CCC2=CC=C(O)C(OC)=C2)O1	InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-18-13-14-19(24-18)12-10-17-11-15-20(22)21(16-17)23-2/h11,13-16,22H,3-10,12H2,1-2H3
HMDB40923	Epomuricenin B	CCCCCCCCCCCCCC\C=C\CCC1OC1CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-33-34(38-33)29-26-23-20-17-16-18-21-24-27-32-30-31(2)37-35(32)36/h19,22,30-31,33-34H,3-18,20-21,23-29H2,1-2H3/b22-19+
HMDB40922	Epoxymurin B	CCCCCCCCCCCCC1OC1CC\C=C/CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O3/c1-3-4-5-6-7-8-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-12-10-9-11-13-15-18-21-24-27-32-30-31(2)37-35(32)36/h20,23,30-31,33-34H,3-19,21-22,24-29H2,1-2H3/b23-20-
HMDB40921	Diepomuricanin A	CCCCCCCCCCCCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O4/c1-3-4-5-6-7-8-12-15-18-21-24-31-33(38-31)26-27-34-32(39-34)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)37-35(30)36/h28-29,31-34H,3-27H2,1-2H3
HMDB40920	Epoxymurin A	CCCCCCCCCCCC\C=C/CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)37-35(32)36/h19,22,30-31,33-34H,3-18,20-21,23-29H2,1-2H3/b22-19-
HMDB40927	2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan	CCCCCCC1=CC=C(CCC2=CC=C(O)C(OC)=C2)O1	InChI=1S/C19H26O3/c1-3-4-5-6-7-16-11-12-17(22-16)10-8-15-9-13-18(20)19(14-15)21-2/h9,11-14,20H,3-8,10H2,1-2H3
HMDB40926	2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan	CCCCC1=CC=C(CCC2=CC=C(O)C(OC)=C2)O1	InChI=1S/C17H22O3/c1-3-4-5-14-9-10-15(20-14)8-6-13-7-11-16(18)17(12-13)19-2/h7,9-12,18H,3-6,8H2,1-2H3
HMDB40925	2-(2-Furanyl)-3-methyl-2-butenal	CC(C)=C(C=O)C1=CC=CO1	InChI=1S/C9H10O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-6H,1-2H3
HMDB40924	2-C-(Hydroxymethyl)ribonic acid, 9CI; D-form, 5-O-Phosphate	OCC(O)(C(O)C(O)COP(O)(O)=O)C(O)=O	InChI=1S/C6H13O10P/c7-2-6(12,5(10)11)4(9)3(8)1-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)
HMDB54274	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB49576	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27,30,36,39,54H,4-8,10-11,13-17,24-26,28-29,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-,39-36-
HMDB54275	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,34,40,43,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,43-40-
HMDB01858	p-Cresol	CC1=CC=C(O)C=C1	InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
HMDB01859	Acetaminophen	CC(=O)NC1=CC=C(O)C=C1	InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
HMDB01854	Tellurium	[Te+4]	InChI=1S/Te/q+4
HMDB01855	5-Hydroxytryptophol	OCCC1=CNC2=CC=C(O)C=C12	InChI=1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2
HMDB01856	Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
HMDB01857	1,3-Dimethyluric acid	CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O	InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)
HMDB01850	Verapamil	COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC	InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
HMDB01851	L-Arabitol	OC[C@H](O)C(O)[C@@H](O)CO	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
HMDB01852	Retinoic acid	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
HMDB08484	PC(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33,48H,6-7,12-13,18-19,24,26,29,32,34-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-/t48-/m1/s1
HMDB08485	PC(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33,37,39,48H,6-7,12-13,18-19,24,26,29,32,34-36,38,40-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,39-37-/t48-/m1/s1
HMDB08486	PC(20:4(8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,30,32,50H,6-8,10,12-14,16,18-20,22,24-29,31,33-49H2,1-5H3/b11-9-,17-15-,23-21-,32-30-/t50-/m1/s1
HMDB08487	PC(20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,30,32,50H,6-8,10,12-14,16,18-19,24-29,31,33-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,32-30-/t50-/m1/s1
HMDB08480	PC(20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,30,48H,6-8,10,12-14,16,18-19,24-27,29,31-47H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,30-28-/t48-/m1/s1
HMDB08481	PC(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,28,30,48H,6-8,10,12-13,18-19,24-27,29,31-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,30-28-/t48-/m1/s1
HMDB08482	PC(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27-28,30-31,33,48H,6-8,10,12-13,18-19,24,26,29,32,34-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-/t48-/m1/s1
HMDB08483	PC(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27-28,30-31,33,37,39,48H,6-8,10,12-13,18-19,24,26,29,32,34-36,38,40-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,39-37-/t48-/m1/s1
HMDB08488	PC(20:4(8Z,11Z,14Z,17Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,39-36-
HMDB08489	PC(20:4(8Z,11Z,14Z,17Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,41-38-
HMDB45076	TG(18:0/18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h20,23,29,36,61H,4-19,21-22,24-28,30-35,37-60H2,1-3H3/b23-20-,36-29-
HMDB45077	TG(18:0/18:2(9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,26,28,51H,4-14,16-17,20-21,23-25,27,29-50H2,1-3H3/b18-15-,22-19-,28-26-
HMDB54660	TG(22:4(7Z,10Z,13Z,16Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37,56H,4-7,9-10,12-15,18,21-24,28,32-34,36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-
HMDB35350	Dammar-24-ene-3,6,12,17,20-pentol; (3b,6a,12b,17a,20S)-form, 20-O-[b-D-Glucopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside], 3-O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside], 6-O-b-D-xylopyranoside	CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5C(CC43C)OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C65H110O33/c1-24(2)11-10-13-64(9,98-59-51(97-58-50(85)43(78)38(73)30(20-67)93-58)45(80)40(75)32(95-59)23-88-54-47(82)41(76)35(70)25(3)90-54)65(86)16-15-62(7)52(65)26(68)17-33-61(6)14-12-34(60(4,5)53(61)28(18-63(33,62)8)91-55-46(81)36(71)27(69)21-87-55)96-57-49(84)44(79)39(74)31(94-57)22-89-56-48(83)42(77)37(72)29(19-66)92-56/h11,25-59,66-86H,10,12-23H2,1-9H3
HMDB35351	4beta-8-Daucen-4-ol	CC(C)C1(O)CCC2(C)CC=C(C)CCC12	InChI=1S/C15H26O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,11,13,16H,5-6,8-10H2,1-4H3
HMDB35352	Oleuroside	COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3
HMDB35353	Epoxyganoderiol C	CC(CCC1OC1(C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H48O3/c1-19(8-11-25-30(7,18-31)33-25)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-32H,8,10-12,14-18H2,1-7H3
HMDB35354	Ganoderic acid Mj	COC1CC2C(C)(C)C(O)CCC2(C)C2=C1C1(C)CCC(C(C)C(C\C=C(\C)C(O)=O)OC(C)=O)C1(C)CC2	InChI=1S/C33H52O6/c1-19(29(36)37)10-11-24(39-21(3)34)20(2)22-12-17-33(8)28-23(13-16-32(22,33)7)31(6)15-14-27(35)30(4,5)26(31)18-25(28)38-9/h10,20,22,24-27,35H,11-18H2,1-9H3,(H,36,37)/b19-10-
HMDB35355	3beta-3-Hydroxy-18-lupen-21-one	CC(C)C1=C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1=O	InChI=1S/C30H48O2/c1-18(2)24-20(31)17-27(5)15-16-29(7)19(25(24)27)9-10-22-28(6)13-12-23(32)26(3,4)21(28)11-14-30(22,29)8/h18-19,21-23,32H,9-17H2,1-8H3
HMDB35356	Pithecelloside	C\C(=C/CCC(C)(O)C=C)C(=O)OC1CC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2CC1(C)C)C(O)=O	InChI=1S/C56H88O20/c1-11-52(7,69)18-12-13-27(2)45(66)74-37-23-56(49(67)68)29(21-50(37,3)4)28-14-15-34-53(8)19-17-36(51(5,6)33(53)16-20-54(34,9)55(28,10)22-35(56)59)75-47-43(65)41(63)40(62)32(73-47)26-72-48-44(39(61)31(58)25-71-48)76-46-42(64)38(60)30(57)24-70-46/h11,13-14,29-44,46-48,57-65,69H,1,12,15-26H2,2-10H3,(H,67,68)/b27-13+
HMDB38105	Isolinderanolide	CCCCCCCCCCCCCCC\C=C1\C(O)C(=C)OC1=O	InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h17,20,22H,2-16H2,1H3/b19-17-
HMDB35358	Ketosantalic acid	CC(CC(=O)CC1(C)C2CC3C(C2)C13C)C(O)=O	InChI=1S/C15H22O3/c1-8(13(17)18)4-10(16)7-14(2)9-5-11-12(6-9)15(11,14)3/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)
HMDB35359	1-Deoxynojirimycin	OCC1NCC(O)C(O)C1O	InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
HMDB38108	cis-Quinceoxepane	CC1CCCOC(C1)\C=C/C(C)=C	InChI=1S/C12H20O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h6-7,11-12H,1,4-5,8-9H2,2-3H3/b7-6-
HMDB38109	1-Methoxyficifolinol	COC1=CC2=C(C=C1CC=C(C)C)C1COC3=CC(O)=C(CC=C(C)C)C(O)=C3C1O2	InChI=1S/C26H30O5/c1-14(2)6-8-16-10-18-19-13-30-23-11-20(27)17(9-7-15(3)4)25(28)24(23)26(19)31-22(18)12-21(16)29-5/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3
HMDB36618	Toringin	OCC1OC(OC2=CC(O)=CC3=C2C(=O)C=C(O3)C2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2
HMDB36619	5,7-Dihydroxyflavone	OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1	InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
HMDB36610	2-Methyl-3-(methylthio)furan	CSC1=C(C)OC=C1	InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3
HMDB36611	2-Methyl-3-furanthiol	CC1=C(S)C=CO1	InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
HMDB36612	1-Desulfoyessotoxin	CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCO)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)CC=C	InChI=1S/C55H82O18S/c1-10-11-28(2)12-15-51(5,58)50-30(4)20-39-38(68-50)26-46-55(9,71-39)49(57)48-42(67-46)24-41-47(69-48)29(3)13-16-53(7)44(66-41)27-43-54(8,73-53)17-14-31-32(65-43)21-34-33(62-31)22-35-36(63-34)23-40-37(64-35)25-45(72-74(59,60)61)52(6,70-40)18-19-56/h10,12,15,29,31-50,56-58H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,59,60,61)/b15-12+
HMDB36613	Rose bengal	OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C(O)=C(I)C=C12.OC1=C(I)C2=C(C=C1I)C1(OC(=O)C3=C(Cl)C(Cl)=C(Cl)C(Cl)=C13)C1=CC(I)=C(O)C(I)=C1O2	InChI=1S/2C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29-30H;1-2,29H,(H,31,32)
HMDB36615	Homoyessotoxin	CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)CC=C	InChI=1S/C56H84O21S2/c1-10-12-29(2)13-17-52(5,58)51-31(4)21-40-39(72-51)27-47-56(9,75-40)50(57)49-43(71-47)25-42-48(73-49)30(3)14-18-54(7)45(70-42)28-44-55(8,77-54)19-15-32-33(69-44)22-35-34(66-32)23-36-37(67-35)24-41-38(68-36)26-46(76-79(62,63)64)53(6,74-41)16-11-20-65-78(59,60)61/h10,13,17,30,32-51,57-58H,1-2,4,11-12,14-16,18-28H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b17-13+
HMDB36616	Pseudobaptigenin	OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C2OCOC2=C1	InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
HMDB36617	(+)-Chebulic acid	OC(=O)CC(C1C(OC(=O)C2=C1C(O)=C(O)C(O)=C2)C(O)=O)C(O)=O	InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)
HMDB50952	TG(20:3(5Z,8Z,11Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32-33,36,42,45,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,36-33-,45-42-
HMDB56901	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1
HMDB45078	TG(18:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,27,29,53H,4-18,20,23,25-26,28,30-52H2,1-3H3/b22-19-,24-21-,29-27-
HMDB56868	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-38,42-47,52-54,56-58,64,66,68,70,85-87,92H,5-9,12-13,16-20,24,28-32,39-41,48-51,55,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB45079	TG(18:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19-20,22-23,28,31,55H,4-18,21,24-27,29-30,32-54H2,1-3H3/b22-19-,23-20-,31-28-
HMDB13949	O-Desmethylcarvedilol	OC(CNCCOC1=CC=CC=C1O)COC1=CC=CC2=C1C1=CC=CC=C1N2	InChI=1S/C23H24N2O4/c26-16(14-24-12-13-28-21-10-4-3-9-20(21)27)15-29-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,24-27H,12-15H2
HMDB13948	5'-Hydroxycarvedilol	COC1=CC=C(O)C=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2	InChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3
HMDB58755	CL(18:2(9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,36-38,41-45,50-51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,29-30,35,39-40,46-49,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-/t82?,83-,84-/m1/s1
HMDB58754	CL(18:2(9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-38,41-45,50-51,53,55,61,63,65,67,82-84,89H,5-20,23-24,29-30,35,39-40,46-49,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB13947	4'-Hydroxycarvedilol	COC1=CC(O)=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2	InChI=1S/C24H26N2O5/c1-29-23-13-16(27)9-10-21(23)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3
HMDB13946	8-Hydroxycarvedilol	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC(O)=C1N2	InChI=1S/C24H26N2O5/c1-29-20-9-2-3-10-21(20)30-13-12-25-14-16(27)15-31-22-11-5-7-18-23(22)17-6-4-8-19(28)24(17)26-18/h2-11,16,25-28H,12-15H2,1H3
HMDB13941	Epoxy-hexobarbital	CN1C(=O)NC(=O)C(C)(C1=O)C12CCCCC1O2	InChI=1S/C12H16N2O4/c1-11(12-6-4-3-5-7(12)18-12)8(15)13-10(17)14(2)9(11)16/h7H,3-6H2,1-2H3,(H,13,15,17)
HMDB13940	3'-Hydroxyhexobarbital	CN1C(=O)NC(=O)C(C)(C2=CC(O)CCC2)C1=O	InChI=1S/C12H16N2O4/c1-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14(2)10(12)17/h6,8,15H,3-5H2,1-2H3,(H,13,16,18)
HMDB13943	beta-hydroxyalprazolam	OCC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12	InChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
HMDB58752	CL(18:2(9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-42-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35-36,38-40,45,47,55,59,76-78,83H,5-20,22-24,29,34,37,41-44,46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-45-,59-55-/t76?,77-,78-/m1/s1
HMDB34753	3-Butylidene-1(3H)-isobenzofuranone, 9CI; (Z)-form, 7-Hydroxy, 7-O-(6-O-malonyl-b-D-glucopyranoside)	CCC\C=C1\OC(=O)C2=C1C=CC=C2OC1OC(COC(=O)CC(O)=O)C(O)C(O)C1O	InChI=1S/C21H24O11/c1-2-3-6-11-10-5-4-7-12(16(10)20(28)30-11)31-21-19(27)18(26)17(25)13(32-21)9-29-15(24)8-14(22)23/h4-7,13,17-19,21,25-27H,2-3,8-9H2,1H3,(H,22,23)/b11-6+
HMDB34752	7-beta-D-Glucopyranosyloxybutylidenephthalide	CCC\C=C1\OC(=O)C2=C1C=CC=C2OC1OC(CO)C(O)C(O)C1O	InChI=1S/C18H22O8/c1-2-3-6-10-9-5-4-7-11(13(9)17(23)24-10)25-18-16(22)15(21)14(20)12(8-19)26-18/h4-7,12,14-16,18-22H,2-3,8H2,1H3/b10-6+
HMDB34751	Ligustroside	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\C)[C@@H]1CC(=O)OCCC1=CC=C(O)C=C1	InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1
HMDB34750	Isopentyl beta-D-glucoside	CC(C)CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C11H22O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h6-15H,3-5H2,1-2H3
HMDB34757	3-(4-Hydroxyphenyl)-1-propanol; 4'-Me ether, 1-O-(2-O-sulfo-b-D-glucopyranoside)	COC1=CC=C(CCCOC2OC(CO)C(O)C(O)C2OS(O)(=O)=O)C=C1	InChI=1S/C16H24O10S/c1-23-11-6-4-10(5-7-11)3-2-8-24-16-15(26-27(20,21)22)14(19)13(18)12(9-17)25-16/h4-7,12-19H,2-3,8-9H2,1H3,(H,20,21,22)
HMDB34756	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid; (E)-form, Tri-Me ether, [a-L-arabinofuranosyl-(1->3)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranosyl] ester	COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)=CC(OC)=C1OC	InChI=1S/C29H42O19/c1-40-12-6-11(7-13(41-2)25(12)42-3)4-5-17(32)47-29-24(39)26(48-28-22(37)19(34)15(9-31)45-28)20(35)16(46-29)10-43-27-23(38)21(36)18(33)14(8-30)44-27/h4-7,14-16,18-24,26-31,33-39H,8-10H2,1-3H3/b5-4+
HMDB34755	3-(4-Hydroxyphenyl)-2-propen-1-ol, 9CI; (E)-form, 1-Me ether, 4'-O-b-D-glucopyranoside	COC\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C16H22O7/c1-21-8-2-3-10-4-6-11(7-5-10)22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/b3-2+
HMDB34754	4-Hydroxybenzyl alcohol, 8CI; 4-Me ether, a-O-(2-O-sulfo-b-D-glucopyranoside)	COC1=CC=C(COC2OC(CO)C(O)C(O)C2OS(O)(=O)=O)C=C1	InChI=1S/C14H20O10S/c1-21-9-4-2-8(3-5-9)7-22-14-13(24-25(18,19)20)12(17)11(16)10(6-15)23-14/h2-5,10-17H,6-7H2,1H3,(H,18,19,20)
HMDB34759	5-(1-Propynyl)-2-thiophenepropanoic acid, 9CI; Me ester	COC(=O)CCC1=CC=C(S1)C#CC	InChI=1S/C11H12O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-6H,7-8H2,1-2H3
HMDB34758	8-Nonen-3-one	CCC(=O)CCCCC=C	InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h3H,1,4-8H2,2H3
HMDB44127	TG(16:0/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,56H,4-15,17-18,20-24,28-30,32-55H2,1-3H3/b19-16-,27-25-,31-26-
HMDB44125	TG(16:0/18:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,54H,4-15,17-18,20-24,28,31,33-53H2,1-3H3/b19-16-,27-25-,29-26-,32-30-
HMDB44124	TG(16:0/18:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h13,16,22,25-26,28,53H,4-12,14-15,17-21,23-24,27,29-52H2,1-3H3/b16-13-,25-22-,28-26-
HMDB44123	TG(16:0/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,36,52H,4-15,17-18,20-24,29-32,34-35,37-51H2,1-3H3/b19-16-,27-25-,28-26-,36-33-
HMDB44121	TG(16:0/18:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h25-27,33,58H,4-24,28-32,34-57H2,1-3H3/b27-25-,33-26-
HMDB44120	TG(16:0/18:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h25-27,31,56H,4-24,28-30,32-55H2,1-3H3/b27-25-,31-26-
HMDB44129	TG(16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,43,46,56H,4-15,17-18,20-24,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB44128	TG(16:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,56H,4-15,17-18,20-24,28,32-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-
HMDB15464	Yohimbine	[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
HMDB15465	Bezafibrate	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O	InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
HMDB15466	Colchicine	COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1C(CC2)NC(C)=O	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
HMDB15467	Drospirenone	[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21	InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
HMDB15461	Glycodiazine	COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1	InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)
HMDB15462	Paramethasone	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@]([H])(F)C2=CC(=O)C=C[C@]12C	InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1
HMDB32971	2,3-Dimethylpyrazine	CC1=NC=CN=C1C	InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
HMDB32970	4,5-Dimethyloxazole	CC1=C(C)N=CO1	InChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3
HMDB32973	2,5-Dimethyl-1H-pyrrole	CC1=CC=C(C)N1	InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3
HMDB32972	2,6-Dimethylpyridine	CC1=CC=CC(C)=N1	InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
HMDB15468	Digitoxin	[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1	InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
HMDB15469	Magnesium salicylate	[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O	InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
HMDB32977	2,3-Dimethylthiophene	CC1=C(C)C=CS1	InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
HMDB32976	4,5-Dimethylthiazole	CC1=C(C)N=CS1	InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
HMDB44080	TG(16:0/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h21,24,51H,4-20,22-23,25-50H2,1-3H3/b24-21-
HMDB44081	TG(16:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h19,22,50H,4-18,20-21,23-49H2,1-3H3/b22-19-
HMDB37222	Goyasaponin II	CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C70H110O35/c1-25-36(75)40(79)46(85)59(94-25)101-52-37(76)26(2)95-63(55(52)104-60-48(87)44(83)50(27(3)96-60)99-58-49(88)51(31(74)23-93-58)100-57-45(84)38(77)30(73)22-92-57)105-64(91)70-18-16-65(4,5)20-29(70)28-10-11-34-66(6)14-13-35(67(7,24-72)33(66)12-15-69(34,9)68(28,8)17-19-70)98-62-54(43(82)42(81)53(102-62)56(89)90)103-61-47(86)41(80)39(78)32(21-71)97-61/h10,24-27,29-55,57-63,71,73-88H,11-23H2,1-9H3,(H,89,90)
HMDB37223	()-Carvomenthol	CC(C)C1CCC(C)C(O)C1	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3
HMDB37220	Quercimeritrin; 3-O-[b-D-Glucopyranosyl-(1->2)-b-D-galactopyranoside]	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-10-4-13(39)18-14(5-10)50-28(9-1-2-11(37)12(38)3-9)29(22(18)43)54-33-30(25(46)21(42)17(8-36)53-33)55-32-27(48)24(45)20(41)16(7-35)52-32/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2
HMDB37221	Goyasaponin I	CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C65H102O31/c1-24-34(69)38(73)44(79)54(86-24)92-48-35(70)25(2)87-58(51(48)95-55-46(81)42(77)47(26(3)88-55)91-53-43(78)36(71)29(68)22-85-53)96-59(84)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-33(62(7,23-67)31(61)12-15-64(32,9)63(27,8)17-19-65)90-57-50(41(76)40(75)49(93-57)52(82)83)94-56-45(80)39(74)37(72)30(21-66)89-56/h10,23-26,28-51,53-58,66,68-81H,11-22H2,1-9H3,(H,82,83)
HMDB37226	Citronellyl propionate	CCC(=O)OCCC(C)CCC=C(C)C	InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
HMDB37227	Citronellyl butyrate	CCCC(=O)OCCC(C)CCC=C(C)C	InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3
HMDB37224	a-Caryophyllene alcohol; Ac	CC(=O)OC1C2(C)CCCC1(C)C1CC(C)(C)CC21	InChI=1S/C17H28O2/c1-11(18)19-14-16(4)7-6-8-17(14,5)13-10-15(2,3)9-12(13)16/h12-14H,6-10H2,1-5H3
HMDB37225	3,7-Dimethyl-6-octenoic acid; (x)-form, Me ester	COC(=O)CC(C)CCC=C(C)C	InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3
HMDB37228	Citronellyl isobutyrate	CC(CCOC(=O)C(C)C)CCC=C(C)C	InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
HMDB37229	Citronellyl pentanoate	CCCCC(=O)OCCC(C)CCC=C(C)C	InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3
HMDB44082	TG(16:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB48891	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,37-38,40,56H,4-7,9-10,12-15,18,22-23,28,32-34,36,39,41-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-
HMDB45919	TG(20:0/20:2n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,59H,4-14,16-17,19-23,25-26,28-58H2,1-3H3/b18-15-,27-24-
HMDB44083	TG(16:0/18:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB14737	Thiopental	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O	InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
HMDB14736	Labetalol	CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1	InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
HMDB14735	Gadoteridol	[Gd+3].CC(O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1	InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3
HMDB14734	Halobetasol Propionate	[H][C@]1(F)CC2C3C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)C3(C)CC(O)[C@]2(F)C2(C)C=CC(=O)C=C12	InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15?,16?,18-,19?,22?,23?,24-,25-/m0/s1
HMDB14733	Oxytetracycline	[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C	InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
HMDB14732	Amiloride	NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1	InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
HMDB14731	Ethosuximide	CCC1(C)CC(=O)NC1=O	InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
HMDB14730	Piperazine	C1CNCCN1	InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
HMDB44084	TG(16:0/18:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB14739	Linezolid	CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1CCOCC1	InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
HMDB14738	Monobenzone	OC1=CC=C(OCC2=CC=CC=C2)C=C1	InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
HMDB58739	CL(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB56863	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-37,40-44,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,38-39,45-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB44085	TG(16:0/18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-
HMDB38920	3-Mercapto-1-hexanol; (R)-form, O-Ac	CCCC(S)CCOC(C)=O	InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
HMDB38921	5'-Methoxycurcumin	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC=C1O.COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC=C1O	InChI=1S/2C22H22O7/c2*1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h4-12,25-26H,13H2,1-3H3;4-13,23,25-26H,1-3H3/b7-4+,8-5+;7-4+,8-5+,16-13-
HMDB38922	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan; (7'S,8R,8'R)-form, 3,3',5,5'-Tetra-Me ether, 9'-O-b-D-glucopyranoside	COC1=CC2=C(C(C(COC3OC(CO)C(O)C(O)C3O)C(CO)C2)C2=CC(OC)=C(O)C(OC)=C2)C(OC)=C1O	InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3
HMDB38923	Cinnamoside	CC(=O)C=C=C1C(C)(C)CC(CC1(C)O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C24H38O12/c1-12(26)5-6-15-22(2,3)7-13(8-23(15,4)31)35-20-18(29)17(28)16(27)14(36-20)9-33-21-19(30)24(32,10-25)11-34-21/h5,13-14,16-21,25,27-32H,7-11H2,1-4H3
HMDB38924	2-Hexenyl hexanoate	CCCCCC(=O)OC\C=C\CCC	InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
HMDB38925	(4-Hydroxy-3-methoxyphenyl)ethanol	COC1=C(O)C=CC(CCO)=C1	InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
HMDB38926	Samin	OC1OCC2C1COC2C1=CC=C2OCOC2=C1	InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2
HMDB38927	Isolariciresinol 9'-O-beta-D-glucoside	COC1=CC2=C(C=C1O)C(C(COC1OC(CO)C(O)C(O)C1O)C(CO)C2)C1=CC=C(O)C(OC)=C1	InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3
HMDB38928	Lirioresinol A	COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(O)C(OC)=C1	InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3
HMDB38929	Ramontoside	COC1C(COC(OC2=C3COC(=O)C3=C(C3=CC4=C(OCO4)C=C3)C3=C2C=C(OC)C(OC)=C3)C1OC)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C34H38O16/c1-40-19-8-15-16(9-20(19)41-2)29(17-11-44-32(39)25(17)24(15)14-5-6-18-21(7-14)47-13-46-18)50-34-31(43-4)30(42-3)23(12-45-34)49-33-28(38)27(37)26(36)22(10-35)48-33/h5-9,22-23,26-28,30-31,33-38H,10-13H2,1-4H3
HMDB42273	TG(14:0/14:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-
HMDB42272	TG(14:0/14:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,43H,4-14,16-17,19-42H2,1-3H3/b18-15-
HMDB42275	TG(14:0/14:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-
HMDB42274	TG(14:0/14:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h15,18,46H,4-14,16-17,19-45H2,1-3H3/b18-15-
HMDB42277	TG(14:0/14:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-
HMDB42276	TG(14:0/14:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-
HMDB44087	TG(16:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h19-20,22-23,50H,4-18,21,24-49H2,1-3H3/b22-19-,23-20-
HMDB45918	TG(20:0/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,38,41,57H,4-17,19-20,22-26,28-30,32-37,39-40,42-56H2,1-3H3/b21-18-,31-27-,41-38-
HMDB10708	Galactosylceramide (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C40H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27-/t33?,34?,35-,37+,38+,39-,40-/m1/s1
HMDB10709	Galactosylceramide (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C42H81NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,35-37,39-42,44-45,47-49H,3-28,30,32-34H2,1-2H3,(H,43,46)/b31-29-/t35?,36?,37-,39+,40+,41-,42-/m1/s1
HMDB10706	CerP(d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C44H88NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(47)45-42(41-51-52(48,49)50)43(46)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,42-43,46H,3-36,38,40-41H2,1-2H3,(H,45,47)(H2,48,49,50)/b39-37+/t42-,43+/m0/s1
HMDB10707	CerP(d18:1/26:1(17Z))	CCCCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H90NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-46(49)47-44(43-53-54(50,51)52)45(48)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,39,41,44-45,48H,3-16,18,20-38,40,42-43H2,1-2H3,(H,47,49)(H2,50,51,52)/b19-17-,41-39+/t44-,45+/m0/s1
HMDB10704	CerP(d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C42H84NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(45)43-40(39-49-50(46,47)48)41(44)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44H,3-34,36,38-39H2,1-2H3,(H,43,45)(H2,46,47,48)/b37-35+/t40-,41+/m0/s1
HMDB10705	CerP(d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H82NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(45)43-40(39-49-50(46,47)48)41(44)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44H,3-16,19-34,36,38-39H2,1-2H3,(H,43,45)(H2,46,47,48)/b18-17-,37-35+/t40-,41+/m0/s1
HMDB10702	CerP(d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C38H76NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(41)39-36(35-45-46(42,43)44)37(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40H,3-30,32,34-35H2,1-2H3,(H,39,41)(H2,42,43,44)/b33-31+/t36-,37+/m0/s1
HMDB10703	CerP(d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C40H80NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(43)41-38(37-47-48(44,45)46)39(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42H,3-32,34,36-37H2,1-2H3,(H,41,43)(H2,44,45,46)/b35-33+/t38-,39+/m0/s1
HMDB10700	CerP(d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C34H68NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b29-27+/t32-,33+/m0/s1
HMDB10701	CerP(d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C36H72NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38H,3-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b31-29+/t34-,35+/m0/s1
HMDB55611	TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-37,59H,4-6,9,12-15,18,22-23,27,31-32,38-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-
HMDB55610	TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,63H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-
HMDB59291	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-39,43-49,53-54,56-58,60,65,68-69,72,87-89,94H,5-9,12-13,16-20,24,28-32,40-42,50-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB07978	PC(16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,42H,6-19,22-41H2,1-5H3/b21-20-/t42-/m1/s1
HMDB55617	TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-41,43-44,58H,4-6,9,12-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-
HMDB39338	Pollenin B	COC1=C(O)C2=C(C(O)=C1)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(O2)C1=CC=C(O)C=C1	InChI=1S/C22H22O12/c1-31-11-6-10(25)13-16(28)21(34-22-18(30)17(29)14(26)12(7-23)32-22)19(33-20(13)15(11)27)8-2-4-9(24)5-3-8/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3
HMDB39339	Tricycloekasantalol	CC12C3CC(CC13)C2(C)CCCO	InChI=1S/C12H20O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h8-10,13H,3-7H2,1-2H3
HMDB39332	Quercitrin; 2''-[4-Hydroxycinnamoyl-(->6)-b-D-glucopyranosyl]	CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+
HMDB39333	Quercitrin; 4''-Ac, 7-O-a-L-rhamnopyranoside	CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(C)C(OC(C)=O)C(O)C2O)=C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C29H32O16/c1-9-19(34)21(36)23(38)28(40-9)43-13-7-16(33)18-17(8-13)44-26(12-4-5-14(31)15(32)6-12)27(20(18)35)45-29-24(39)22(37)25(10(2)41-29)42-11(3)30/h4-10,19,21-25,28-29,31-34,36-39H,1-3H3
HMDB39330	Bersimoside I	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C60H98O28/c1-23-33(65)37(69)43(75)50(79-23)86-47-40(72)36(68)28(21-63)82-53(47)88-48-42(74)41(73)45(49(77)78)85-54(48)83-31-12-13-57(5)29(58(31,6)22-64)11-14-60(8)30(57)10-9-24-25-17-55(2,3)18-32(56(25,4)15-16-59(24,60)7)84-52-46(39(71)35(67)27(20-62)81-52)87-51-44(76)38(70)34(66)26(19-61)80-51/h9,23,25-48,50-54,61-76H,10-22H2,1-8H3,(H,77,78)
HMDB39331	Dehydrosoyasaponin I	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(=O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)
HMDB39336	3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside	COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C(OC)=C(OC2=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C23H24O12/c1-31-10-6-13-16(14(7-10)34-23-20(30)19(29)17(27)15(8-24)35-23)18(28)22(32-2)21(33-13)9-3-4-11(25)12(26)5-9/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3
HMDB39337	3,3',4',5,7-Pentahydroxyflavone; 3',4',5,7-Tetra-Me ether, 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	COC1=CC(OC)=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=C1)C1=CC=C(OC)C(OC)=C1	InChI=1S/C31H38O16/c1-12-21(32)24(35)26(37)30(44-12)43-11-19-22(33)25(36)27(38)31(46-19)47-29-23(34)20-17(42-5)9-14(39-2)10-18(20)45-28(29)13-6-7-15(40-3)16(8-13)41-4/h6-10,12,19,21-22,24-27,30-33,35-38H,11H2,1-5H3
HMDB39334	Citrusin D	COC1=C(O)C=CC(\C=C/COC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2-
HMDB39335	Quercetin 7-glucuronoside 3-sophoroside	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C33H38O23/c34-6-14-17(39)20(42)24(46)32(52-14)56-29-22(44)18(40)15(7-35)53-33(29)54-27-19(41)16-12(38)4-9(50-31-25(47)21(43)23(45)28(55-31)30(48)49)5-13(16)51-26(27)8-1-2-10(36)11(37)3-8/h1-5,14-15,17-18,20-25,28-29,31-40,42-47H,6-7H2,(H,48,49)
HMDB55616	TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40,43,58H,4-6,9,12-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-
HMDB07977	PC(16:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
HMDB07976	PC(16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,25,27,40H,6-7,9,11-13,15,17-19,22-24,26,28-39H2,1-5H3/b10-8-,16-14-,21-20-,27-25-/t40-/m1/s1
HMDB00273	Thymidine	CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O	InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
HMDB00272	Phosphoserine	N[C@@H](COP(O)(O)=O)C(O)=O	InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
HMDB00271	Sarcosine	CNCC(O)=O	InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
HMDB59166	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-71-75-79-92(97)109-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-50,53-56,59-62,65-68,71-72,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,51-52,57-58,63-64,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,54-50-,59-55-,60-56-,65-61-,66-62-,71-67-,72-68-/t88-,89-/m1/s1
HMDB00277	Sphingosine 1-phosphate	CCCCCCCCCCCCC\C=C\C(O)C(N)COP(O)(O)=O	InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+
HMDB59160	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-51,55-58,60-63,67,89-91,96H,5-8,12,16-20,29-32,41-43,47,52-54,59,64-66,68-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-/t89?,90-,91-/m1/s1
HMDB59163	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,44-46,48-51,55-58,60-63,67-68,70,72,74,89-91,96H,5-8,11-12,15-20,29-32,41-43,47,52-54,59,64-66,69,71,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59162	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-67,70,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,68-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-/t87?,88-,89-/m1/s1
HMDB11150	Deoxyhypusine	NCCCCNCCCC[C@H](N)C(O)=O	InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1
HMDB11151	PC(O-16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,41H,6-13,15,17-19,21,23-40H2,1-5H3/b16-14-,22-20-/t41-/m1/s1
HMDB00279	Saccharopine	N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O	InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
HMDB11153	MG(P-18:0e/0:0/0:0)	[H][C@](O)(CO)CO\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h17-18,21-23H,2-16,19-20H2,1H3/b18-17-/t21-/m0/s1
HMDB11154	LPA(P-16:0e/0:0)	CCCCCCCCCCCCCC\C=C/OC[C@](O)([H])COP(=O)(O)O	InChI=1S/C19H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h15-16,19-20H,2-14,17-18H2,1H3,(H2,21,22,23)/b16-15-/t19-/m1/s1
HMDB11155	PA(P-16:0e/18:2(9Z,12Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/b13-11-,19-17-,33-31-/t36-/m1/s1
HMDB11156	PA(20:4(5Z,8Z,11Z,14Z)e/2:0)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC[C@]([H])(COP(=O)(O)O)OC(C)=O	InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/b8-7-,11-10-,14-13-,17-16-/t25-/m1/s1
HMDB11157	PE(P-16:0e/18:1(9Z))	[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,38H,3-16,18,20-37,40H2,1-2H3,(H,42,43)/b19-17-/t38-/m1/s1
HMDB48598	TG(16:1(9Z)/16:1(9Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h13,16,20-25,51H,4-12,14-15,17-19,26-50H2,1-3H3/b16-13-,23-20-,24-21-,25-22-
HMDB48599	TG(16:1(9Z)/16:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,28,31,52H,4-15,17-18,22,27,29-30,32-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-
HMDB59290	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-39,43-49,53-54,56-58,60,65,69,87-89,94H,5-9,12-13,16-20,24,28-32,40-42,50-52,55,59,61-64,66-68,70-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-/t87?,88-,89-/m1/s1
HMDB55830	TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,37,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36,38-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,37-35-
HMDB48593	TG(16:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20-21,23-26,28,31,36,39,52H,4-19,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b23-20-,24-21-,26-25-,31-28-,39-36-
HMDB33242	Glycylserylprolylmethionylphenylalanylvalinamide	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O	InChI=1S/C29H45N7O7S/c1-17(2)24(25(31)39)35-27(41)20(14-18-8-5-4-6-9-18)34-26(40)19(11-13-44-3)33-28(42)22-10-7-12-36(22)29(43)21(16-37)32-23(38)15-30/h4-6,8-9,17,19-22,24,37H,7,10-16,30H2,1-3H3,(H2,31,39)(H,32,38)(H,33,42)(H,34,40)(H,35,41)
HMDB33244	Dibutyl phthalate	CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
HMDB33245	6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione	OCC1=CNC2=NC(=O)NC(=O)C2=N1	InChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14)
HMDB33246	Grevilline D	OC1=CC=C(O)C(=C1)C1=C(O)C(=O)O\C(=C\C2=CC(O)=C(O)C=C2)C1=O	InChI=1S/C18H12O8/c19-9-2-4-11(20)10(7-9)15-16(23)14(26-18(25)17(15)24)6-8-1-3-12(21)13(22)5-8/h1-7,19-22,24H/b14-6+
HMDB33247	Aristolodione	COC1=C2C3=C(C=CC=C3)C=C3N(C)C(=O)C(=O)C(C=C1O)=C23	InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3
HMDB58501	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,27-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB07458	DG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,29-32,41,44H,3-16,21-22,27-28,33-40H2,1-2H3/b19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB53206	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-34,36,38-41,43,60H,4-6,9,12-15,22-24,30,32,35,37,42,44-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-
HMDB53207	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-34,36,38-41,43,47,50,60H,4-6,9,12-15,22-24,30,32,35,37,42,44-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,50-47-
HMDB10289	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21-22,24-28,31,33-34,36-37,39-41,43,46,50,79-81,86H,5-8,10-12,14-20,23,29-30,32,35,38,42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,28-24-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB10288	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21-22,24-26,28,33-37,39-43,46,50,79-81,86H,5-8,10-12,14-20,23,27,29-32,38,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,28-24-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB53202	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-32,35,37,40,56H,4-6,9,12-15,22-24,29,33-34,36,38-39,41-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,40-37-
HMDB53203	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-32,35-37,39-40,56H,4-6,9,12-15,22-24,29,33-34,38,41-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-
HMDB53200	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-34,36,38-41,43,60H,4-7,9-10,12-15,22-24,30,32,35,37,42,44-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-
HMDB53201	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-34,36,38-41,43,47,50,60H,4-7,9-10,12-15,22-24,30,32,35,37,42,44-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,50-47-
HMDB10283	CL(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-37,40-42,45-46,54,58,77-79,84H,5-8,10-12,14-20,24,28-32,38-39,43-44,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,40-35-,45-41-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB10282	CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,41-44,46,48,79-81,86H,5-8,10-12,14-20,29-32,39-40,45,47,49-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-/t79?,80-,81-/m1/s1
HMDB10281	CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,23-25,27-28,33-38,41-44,46,48,56,60,79-81,86H,5-8,10-12,14-20,22,26,29-32,39-40,45,47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB10280	CL(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,41-43,46,79-81,86H,5-8,10-12,14-20,29-32,39-40,44-45,47-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-/t79?,80-,81-/m1/s1
HMDB10287	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21-22,24-28,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-20,23,29-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,28-24-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10286	CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-37,40-42,45-46,77-79,84H,5-8,11-12,15-20,24,28-32,38-39,43-44,47-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,40-35-,45-41-,46-42-/t77?,78-,79-/m1/s1
HMDB10285	CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-38,41-44,46,48,79-81,86H,5-8,11-12,15-20,23-24,27-32,39-40,45,47,49-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-/t79?,80-,81-/m1/s1
HMDB10284	CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,43-44,46,48,79-81,86H,5-8,11-12,15-20,23-24,29-30,35-36,39-42,45,47,49-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,46-43-,48-44-/t79?,80-,81-/m1/s1
HMDB41458	Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside)	CC1OC(OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC(=O)\C=C\C5=CC=C(O)C=C5)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H56O27/c1-17-30(56)35(61)38(64)45(66-17)75-43-37(63)32(58)26(15-50)70-47(43)74-42-34(60)29-23(54)12-22(13-24(29)68-40(42)19-5-9-21(53)10-6-19)67-48-44(72-28(55)11-4-18-2-7-20(52)8-3-18)41(33(59)27(16-51)71-48)73-46-39(65)36(62)31(57)25(14-49)69-46/h2-13,17,25-27,30-33,35-39,41,43-54,56-59,61-65H,14-16H2,1H3/b11-4+
HMDB41459	Chamaemeloside	CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)
HMDB41454	D8'-Merulinic acid A	CCCCCCCC\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC(O)=C1	InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25)19-22(26)23(20)24(27)28/h9-10,18-19,25-26H,2-8,11-17H2,1H3,(H,27,28)/b10-9+
HMDB41455	3,4',6,7-Tetrahydroxyflavone; 4'-Me ether, 7-O-a-L-rhamnopyranoside	COC1=CC=C(C=C1)C1=C(O)C(=O)C2=CC(O)=C(OC3OC(C)C(O)C(O)C3O)C=C2O1	InChI=1S/C22H22O10/c1-9-16(24)18(26)20(28)22(30-9)32-15-8-14-12(7-13(15)23)17(25)19(27)21(31-14)10-3-5-11(29-2)6-4-10/h3-9,16,18,20,22-24,26-28H,1-2H3
HMDB41456	Kaempferol 3-neohesperidoside-7-(2''-p-coumarylglucoside)	CC1OC(OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5OC(=O)\C=C\C5=CC=C(O)C=C5)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C42H46O22/c1-16-28(49)32(53)35(56)40(57-16)64-39-34(55)30(51)25(15-44)61-42(39)63-37-31(52)27-22(47)12-21(13-23(27)59-36(37)18-5-9-20(46)10-6-18)58-41-38(33(54)29(50)24(14-43)60-41)62-26(48)11-4-17-2-7-19(45)8-3-17/h2-13,16,24-25,28-30,32-35,38-47,49-51,53-56H,14-15H2,1H3/b11-4+
HMDB34906	Zinc dithionite	[Zn++].[O-]S(=O)S([O-])=O	InChI=1S/H2O4S2.Zn/c1-5(2)6(3)4;/h(H,1,2)(H,3,4);/q;+2/p-2
HMDB41457	Kaempferol 3-neohesperidoside-7-(2''-ferulylglucoside)	COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4=O)=C3)OC(CO)C(O)C2O)=C1	InChI=1S/C43H48O23/c1-16-29(50)33(54)36(57)41(59-16)66-40-35(56)31(52)26(15-45)63-43(40)65-38-32(53)28-22(48)12-20(13-24(28)61-37(38)18-5-7-19(46)8-6-18)60-42-39(34(55)30(51)25(14-44)62-42)64-27(49)10-4-17-3-9-21(47)23(11-17)58-2/h3-13,16,25-26,29-31,33-36,39-48,50-52,54-57H,14-15H2,1-2H3/b10-4+
HMDB34907	Zinc sulfate	[Zn++].[O-]S([O-])(=O)=O	InChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
HMDB41450	Musanolone E	OC1=CC=C(C=C1)C1=C2C(=O)C(O)=C(O)C3=CC=CC(C=C1)=C23	InChI=1S/C19H12O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,20-21,23H
HMDB34904	Zinc chloride	[Cl-].[Cl-].[Zn++]	InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2
HMDB41451	Musanolone F	COC1=CC(=CC=C1O)C1=C2C(=O)C(O)=CC3=CC=CC(C=C1)=C23	InChI=1S/C20H14O4/c1-24-17-10-12(6-8-15(17)21)14-7-5-11-3-2-4-13-9-16(22)20(23)19(14)18(11)13/h2-10,21-22H,1H3
HMDB34905	Zinc carbonate	[Zn++].[O-]C([O-])=O	InChI=1S/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
HMDB41452	Musanolone D	COC1=CC(=CC=C1O)C1=C2C(=O)C(O)C(O)C3=CC=CC(C=C1)=C23	InChI=1S/C20H16O5/c1-25-15-9-11(6-8-14(15)21)12-7-5-10-3-2-4-13-16(10)17(12)19(23)20(24)18(13)22/h2-9,18,20-22,24H,1H3
HMDB34902	2,6-Cyclolycopene-1,5-diol	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1C(CCC1(C)O)C(C)(C)O	InChI=1S/C40H58O2/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(39(8,9)41)29-30-40(38,10)42/h11-12,14-19,21-28,37-38,41-42H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
HMDB41453	D8'-Merulinic acid C	CCCCCCCC\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC=C1	InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h9-10,17,19-20,25H,2-8,11-16,18H2,1H3,(H,26,27)/b10-9+
HMDB34903	(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone	CCCCC1OC(=O)C2CCCCC12	InChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3
HMDB34900	2-(1,2-Diamino-1-propenyl)phenol	C\C(N)=C(\N)C1=CC=CC=C1O	InChI=1S/C9H12N2O/c1-6(10)9(11)7-4-2-3-5-8(7)12/h2-5,12H,10-11H2,1H3/b9-6-
HMDB15164	Topotecan	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O	InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
HMDB34901	2-Vinyl-4H-1,3-dithiine	C=CC1SCC=CS1	InChI=1S/C6H8S2/c1-2-6-7-4-3-5-8-6/h2-4,6H,1,5H2
HMDB52551	TG(18:2(9Z,12Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,33-34,59H,4-15,17-18,21-22,24,26,30-32,35-58H2,1-3H3/b19-16-,23-20-,28-25-,33-27-,34-29-
HMDB52550	TG(18:2(9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-33,35,41,44,57H,4-15,17-18,21-22,24,26,30,34,36-40,42-43,45-56H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,32-29-,35-33-,44-41-
HMDB52553	TG(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-34,37,40,46,49,59H,4-15,17-18,21-22,24,26,30,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,49-46-
HMDB15162	Methoxyflurane	COC(F)(F)C(Cl)Cl	InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
HMDB52555	TG(18:2(9Z,12Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-31,35,38,55H,4-7,9-10,12-16,18,21,23-25,32-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,22-19-,29-26-,30-27-,31-28-,38-35-
HMDB52556	TG(18:2(9Z,12Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-33,35,57H,4-6,8-9,11-15,17-18,21-22,24,26,30,34,36-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,32-29-,35-33-
HMDB15168	Cerulenin	CC=CCC=CCCC(=O)[C@H]1O[C@H]1C(N)=O	InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
HMDB51118	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB51119	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB51110	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36-37,39-40,45-46,48-49,62H,4-16,18-19,21-24,31-35,38,41-44,47,50-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB51111	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,38,41,47,50,64H,4-15,17-18,20-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB51112	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,38,41-42,45,47,50,64H,4-15,17-18,20-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB51113	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-15,17-18,20-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB51114	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34-35,38,44,47,60H,4-8,10-11,13-17,19-20,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB51115	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34-35,38,40,43-44,47,60H,4-8,10-11,13-17,19-20,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB51116	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36-37,39-40,46,49,62H,4-7,9-10,12-16,18-19,21-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB51117	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-16,18-19,21-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB39137	Elenaic acid; (3,4-Dihydroxyphenylethyl) ester	COC(=O)C1=COC(C)C(C=O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	InChI=1S/C19H22O8/c1-11-14(9-20)13(15(10-27-11)19(24)25-2)8-18(23)26-6-5-12-3-4-16(21)17(22)7-12/h3-4,7,9-11,13-14,21-22H,5-6,8H2,1-2H3
HMDB03217	Genistein	OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
HMDB03213	Raffinose	OC[C@H]1O[C@@](CO)(OC2O[C@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1
HMDB03218	Withanolide	[H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)(O)[C@@]5([H])CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)C13O2	InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28?/m0/s1
HMDB03219	Sedoheptulose	OCC(O)C(O)C(O)C(O)C(=O)CO	InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2
HMDB42900	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-
HMDB41899	gadolinium	[Gd]	InChI=1S/Gd
HMDB41894	ferrioxamine	[Fe+3].OC1=NCCCCCN([O-])C(=O)CCC(O)=NCCCCCN([O-])C(=O)CCC(O)=NCCCCCN([O-])C(=O)CC1	InChI=1S/C27H45N6O9.Fe/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22;/h1-21H2,(H,28,34)(H,29,35)(H,30,36);/q-3;+3
HMDB41895	flumequine	CC1CCC2=CC(F)=CC3=C2N1C=C(C(O)=O)C3=O	InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
HMDB41896	flunixin	CC1=C(C=CC=C1NC1=C(C=CC=N1)C(O)=O)C(F)(F)F	InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
HMDB41890	etizolam	CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl	InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
HMDB41891	famprofazone	CC(C)C1=C(CN(C)C(C)CC2=CC=CC=C2)N(C)N(C1=O)C1=CC=CC=C1	InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
HMDB41892	faropenem	[H][C@](C)(O)[C@@]1([H])C(=O)N2C(C(O)=O)=C(S[C@]12[H])[C@@]1([H])CCCO1	InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
HMDB41893	fenitrothion	COP(=S)(OC)OC1=CC=C(C(C)=C1)N(=O)=O	InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
HMDB58330	CL(18:1(9Z)/16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56669	CL(16:0/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,33-36,38-41,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB56668	CL(16:0/18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25,33-36,38-41,46,50,58,62,77-79,84H,5-20,22-24,26-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56663	CL(16:0/18:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h28,32-36,71-73,78H,5-27,29-31,37-70H2,1-4H3,(H,83,84)(H,85,86)/b32-28-,35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB56662	CL(16:0/18:1(9Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h33-34,36-37,73-75,80H,5-32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB56661	CL(16:0/18:1(9Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h33-36,71-73,78H,5-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB56660	CL(16:0/18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-39,41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56667	CL(16:0/18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25,33-36,38-40,44,52,56,75-77,82H,5-20,22-24,26-32,37,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,38-34-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB56666	CL(16:0/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25,29,34-39,74-76,81H,5-24,26-28,30-33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB56665	CL(16:0/18:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h33-38,73-75,80H,5-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB56664	CL(16:0/18:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27,31,33-34,36-37,73-75,80H,5-26,28-30,32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB03966	Selenomethionine	C[Se]CCC(N)C(O)=O	InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
HMDB03967	4-Hydroxyphenylacetyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CC1=CC=C(O)C=C1	InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-19(38)31-9-10-58-20(39)11-16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-12-18-23(53-55(43,44)45)22(40)28(52-18)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,18,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24?,28-/m1/s1
HMDB55318	TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,38,41,56H,4-6,13-15,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-
HMDB55319	TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,38,40-41,43,56H,4-6,13-15,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB55312	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,40,43,56H,4-6,13-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-
HMDB55310	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34,37,54H,4-6,13-15,22-24,31-33,35-36,38-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-
HMDB55311	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,56H,4-6,13-15,22-24,29,33,35-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-
HMDB55316	TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,36,39,54H,4-6,13-15,22-24,31-35,37-38,40-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-
HMDB55317	TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34,36-37,39,54H,4-6,13-15,22-24,31-33,35,38,40-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB55315	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,55H,4-7,10,13-16,19,22-25,28,31-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-
HMDB50791	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35,38,40-41,43,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,36-37,39,42,44-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-
HMDB50790	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,46,60H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-
HMDB50793	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,59H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-58H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-
HMDB50792	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35,38,40-41,43,49,52,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,52-49-
HMDB50795	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,34,36-37,39,43,45-46,48,60H,4-8,10-11,13-17,19-20,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB50794	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB50797	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB50796	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB50799	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,32,34,37-38,41,43,46,58H,4-7,9-10,12-16,19,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB50798	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,33,35,38,44,47,59H,4-7,9-10,12-16,18-19,22-23,27,31-32,34,36-37,39-43,45-46,48-58H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,33-30-,38-35-,47-44-
HMDB55055	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-41,43,47,50,60H,4-8,10-11,13-15,22-24,30,32,35,37,42,44-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,50-47-
HMDB01186	N1-Acetylspermine	CC(=O)NCCCNCCCCNCCCN	InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
HMDB01187	1D-Myo-inositol 1,3,4,6-tetrakisphosphate	O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O	InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+
HMDB01184	Methyl propenyl ketone	C\C=C\C(C)=O	InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
HMDB01185	S-Adenosylmethionine	C[S+](CC[C@@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8-,10-,11-,14-,27?/m1/s1
HMDB01182	6,8-Dihydroxypurine	O=C1NC2=C(N1)C(=O)N=CN2	InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)
HMDB01183	Octanol	CCCCCCCCO	InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
HMDB01180	N2-Succinyl-L-glutamic acid 5-semialdehyde	OC(=O)CCC(=O)N[C@@H](CCC=O)C(O)=O	InChI=1S/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,16)/t6-/m0/s1
HMDB01181	4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol	[H][C@@]12CCC3=C(CC[C@]4(C)C(CCC34)[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)[C@@]2(C)C(O)=O	InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24-,25+,27-,28-,29+/m1/s1
HMDB01188	(S)-2,3-Epoxysqualene	CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C=C(/C)CC\C=C(\C)CC[C@]1([H])OC1(C)C	InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15-,26-16+,27-20+,28-21-/t29-/m0/s1
HMDB01189	2(N)-Methyl-norsalsolinol	CN1CCC2=CC(O)=C(O)C=C2C1	InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
HMDB55054	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-39,41,47,50,60H,4-8,10-11,13-15,22-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-
HMDB09409	PE(20:4(5Z,8Z,11Z,14Z)/24:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,33,35,47H,3-11,13,15-17,19,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,29-27-,35-33-/t47-/m1/s1
HMDB09408	PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-4,6,8-10,15-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1
HMDB09403	PE(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,45H,3-11,13,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
HMDB09402	PE(20:4(5Z,8Z,11Z,14Z)/22:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,45H,3-11,13,15-17,19,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,27-25-,33-31-/t45-/m1/s1
HMDB09401	PE(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,43H,3-5,7,9-10,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09400	PE(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29,31,43H,3-5,7,9-10,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1
HMDB09407	PE(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33,45H,3-4,6,8-10,15-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1
HMDB09406	PE(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-10,15-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1
HMDB09405	PE(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33,45H,3-10,15-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1
HMDB09404	PE(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,31,33,45H,3-10,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
HMDB30928	Tridecanal	CCCCCCCCCCCCC=O	InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
HMDB30929	2,4,6,8-Tridecatetrayne	CCCCC#CC#CC#CC#CC	InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H2,1-2H3
HMDB01238	N-Acetylserotonin	CC(=O)NCCC1=CNC2=C1C=C(O)C=C2	InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
HMDB55057	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB30920	Acorusnol	CC(C)C1CCC2(C)C(O)CCC(C)=C2C1=O	InChI=1S/C15H24O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-12,16H,5-8H2,1-4H3
HMDB01235	5-Aminoimidazole ribonucleotide	NC1=CN=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
HMDB30922	1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne	C\C=C/C#CC#C\C=C\C=C\C(CCOC(C)=O)OC(C)=O	InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4-,11-10+,13-12+
HMDB04601	3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA	CC(C)C(=C)CC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C31H52N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18-20,23-25,29,39,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,19?,20-,23-,24-,25+,29-/m1/s1
HMDB30924	2-Tetradecanone	CCCCCCCCCCCCC(C)=O	InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
HMDB01231	27-Deoxy-5b-cyprinol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)CO	InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB01232	4-Nitrophenol	OC1=CC=C(C=C1)[N+]([O-])=O	InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
HMDB30927	Isoavocadienofuran	C=CCCCCCCCC\C=C\CC1=CC=CO1	InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,11-13,15-16H,1,3-10,14H2/b12-11+
HMDB57220	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57221	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB57222	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57223	CL(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB40718	Zwiebelane B	CC1C2SC(C1C)S2=O	InChI=1S/C6H10OS2/c1-3-4(2)6-8-5(3)9(6)7/h3-6H,1-2H3
HMDB40719	8-Hydroxy-4',5,7-trimethoxyflavone	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(OC)C=C2OC	InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(22-2)9-15(23-3)17(20)18(16)24-13/h4-9,20H,1-3H3
HMDB45548	TG(20:0/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-53H2,1-3H3/b11-8-,20-17-,29-26-
HMDB45549	TG(20:0/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,29-26-,37-34-
HMDB40714	Vitilagin	OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=CC(=O)C4(O)OC5=C(O)C(O)=CC(=C5C3C4(O)O)C(=O)OC2C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)41)28(45)55-27-24(44)32(56-29(46)9-3-14(37)22(42)15(38)4-9)53-17-7-52-30(47)11-6-18(40)34(51)33(49,50)20(11)19-10(31(48)54-25(17)27)5-16(39)23(43)26(19)57-34/h1-6,17,20,24-25,27,32,35-39,41-44,49-51H,7H2
HMDB40715	Rheinoside A	OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-6-13-17(31)20(34)22(36)24(41-13)27(40)9-2-1-3-12(42-26-23(37)21(35)18(32)14(7-29)43-26)16(9)19(33)15-10(27)4-8(25(38)39)5-11(15)30/h1-5,13-14,17-18,20-24,26,28-32,34-37,40H,6-7H2,(H,38,39)
HMDB40716	Irenolone	OC1=CC=C(C=C1)C1=C2C=C(O)C(=O)C3=CC=CC(C=C1)=C23	InChI=1S/C19H12O3/c20-13-7-4-11(5-8-13)14-9-6-12-2-1-3-15-18(12)16(14)10-17(21)19(15)22/h1-10,20-21H
HMDB40717	Acemannan	CO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](OC)[C@H](OC(C)=O)[C@@H]8O)[C@H](OC(C)=O)[C@@H]7O)[C@H](OC(C)=O)[C@@H]6O)C([O-])=O)[C@H](OC(C)=O)[C@@H]5O)[C@H](O)[C@@H]4NC(C)=O)[C@H](OC(C)=O)[C@@H]3O)[C@H](OC(C)=O)[C@@H]2O)[C@H](OC(C)=O)[C@@H]1O	InChI=1S/C66H101NO49/c1-18(75)67-33-34(83)42(26(11-68)102-59(33)110-44-29(14-71)106-63(38(87)51(44)97-21(4)78)113-46-30(15-72)107-64(39(88)53(46)99-23(6)80)111-45-28(13-70)103-60(94-10)35(84)50(45)96-20(3)77)109-61-37(86)52(98-22(5)79)48(32(17-74)105-61)114-66-41(90)55(101-25(8)82)56(57(116-66)58(91)92)115-65-40(89)54(100-24(7)81)47(31(16-73)108-65)112-62-36(85)49(95-19(2)76)43(93-9)27(12-69)104-62/h26-57,59-66,68-74,83-90H,11-17H2,1-10H3,(H,67,75)(H,91,92)/p-1/t26-,27-,28-,29-,30-,31-,32-,33+,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,59-,60+,61-,62-,63-,64-,65-,66+/m1/s1
HMDB40710	Cycloartan-29-ol	CC(C)CCCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCCC4(C)CO	InChI=1S/C30H52O/c1-21(2)9-7-10-22(3)23-13-16-28(6)25-12-11-24-26(4,20-31)14-8-15-29(24)19-30(25,29)18-17-27(23,28)5/h21-25,31H,7-20H2,1-6H3
HMDB40711	16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)C=CC(=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C30H44O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,11-12,19-21,23,32H,9-10,13-17H2,1-7H3,(H,33,34)
HMDB40712	Humulene diepoxide A	CC12CCC3OC3(C)C\C=C/C(C)(C)CC1O2	InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-
HMDB40713	Scorzoside	CC1C2CC(OC3OC(CO)C(O)C(O)C3O)C(=C)C3CCC(=C)C3C2OC1=O	InChI=1S/C21H30O8/c1-8-4-5-11-9(2)13(6-12-10(3)20(26)29-19(12)15(8)11)27-21-18(25)17(24)16(23)14(7-22)28-21/h10-19,21-25H,1-2,4-7H2,3H3
HMDB43254	TG(15:0/18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h26,31,55H,4-25,27-30,32-54H2,1-3H3/b31-26-
HMDB43255	TG(15:0/18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h26,33,57H,4-25,27-32,34-56H2,1-3H3/b33-26-
HMDB43256	TG(15:0/18:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,47H,4-14,16-17,19-23,26-46H2,1-3H3/b18-15-,25-24-
HMDB49673	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-7,9-10,12-15,18,22-23,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-
HMDB43250	TG(15:0/18:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h25-26,48H,4-24,27-47H2,1-3H3/b26-25-
HMDB49675	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30-32,37-38,40-41,46,49,58H,4-6,9,12-15,18,22-23,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-
HMDB43252	TG(15:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,51H,4-25,27,29-50H2,1-3H3/b28-26-
HMDB43253	TG(15:0/18:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,53H,4-25,27-28,30-52H2,1-3H3/b29-26-
HMDB49678	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,50,53,62H,4-6,9,12-15,18,22-23,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-
HMDB49679	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-6,9,12-15,18,22-23,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-
HMDB43258	TG(15:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,26,28,51H,4-18,20-21,23-25,27,29-50H2,1-3H3/b22-19-,28-26-
HMDB47944	TG(14:1(9Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,54H,4-14,17,21-22,25,27-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-
HMDB47945	TG(14:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,32,35,54H,4-14,17,21-22,25,27,30-31,33-34,36-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,35-32-
HMDB47946	TG(14:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,32,35,41,44,54H,4-14,17,21-22,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,35-32-,44-41-
HMDB47947	TG(14:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,50H,4-6,8-9,11-14,17,21-22,25,27-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-
HMDB47940	TG(14:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,31,34,50H,4-14,17,21-22,25,27-30,32-33,35-49H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,34-31-
HMDB47941	TG(14:1(9Z)/18:1(11Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-24,51H,4-12,14,17,19,21,25-50H2,1-3H3/b16-13-,18-15-,23-20-,24-22-
HMDB47942	TG(14:1(9Z)/18:1(11Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29-30,52H,4-14,17,21-22,25,27-28,31-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-
HMDB47943	TG(14:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29-30,36,39,52H,4-14,17,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-,39-36-
HMDB47948	TG(14:1(9Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,31,34,50H,4-6,8-9,11-14,17,21-22,25,27-30,32-33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,34-31-
HMDB47949	TG(14:1(9Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29-30,52H,4-6,8-9,11-14,17,21-22,25,27-28,31-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-
HMDB53673	TG(20:3n6/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38,41,55H,4-6,8-9,11-15,18,21-24,29-30,35-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-
HMDB51949	TG(24:1(15Z)/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,64H,4-24,29-63H2,1-3H3/b27-25-,28-26-
HMDB51948	TG(24:1(15Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-41-44-47-50-53-59(61)64-57-58(65-60(62)54-51-48-45-42-38-24-21-18-15-12-9-6-3)56-63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB53672	TG(20:3n6/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,55H,4-6,8-9,11-15,18,21-24,29-30,35-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-
HMDB51943	TG(24:1(15Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,38,40,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-37,39,41-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,40-38-
HMDB51942	TG(24:1(15Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-
HMDB51941	TG(24:1(15Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,39,42,47,50,61H,4-16,18-19,21-24,29-32,34,36-38,40-41,43-46,48-49,51-60H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-39-,50-47-
HMDB51940	TG(24:1(15Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,39,42,61H,4-16,18-19,21-24,29-32,34,36-38,40-41,43-60H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-39-
HMDB51947	TG(24:1(15Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,39,42,47,50,61H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-38,40-41,43-46,48-49,51-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-39-,50-47-
HMDB51946	TG(24:1(15Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,39,42,61H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-38,40-41,43-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-39-
HMDB51945	TG(24:1(15Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,37,42,45,59H,4-7,9-10,12-16,18-19,21-24,29-34,36,38-41,43-44,46-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-35-,45-42-
HMDB51944	TG(24:1(15Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,37,59H,4-7,9-10,12-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-35-
HMDB53670	TG(20:3n6/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,53H,4-7,9-10,12-15,18,21-24,28,31,33-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-
HMDB53677	TG(20:3n6/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,56H,4-15,18,21-24,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-
HMDB53676	TG(20:3n6/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-
HMDB53675	TG(20:3n6/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,44,47,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,47-44-
HMDB53674	TG(20:3n6/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-
HMDB55053	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51-
HMDB55052	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,32-33,37,40,46,49,60H,4-13,15,18,20-22,24,27,29-31,34-36,38-39,41-45,47-48,50-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-32-,40-37-,49-46-
HMDB46011	TG(20:0/22:2(13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,36,39,62H,4-15,18,21-24,27,30-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-
HMDB46010	TG(20:0/22:2(13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,61H,4-14,17,20-23,26,29-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-
HMDB46013	TG(20:0/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,64H,4-15,18,21-24,27,30-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-
HMDB46012	TG(20:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,36,39,45,48,62H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB46015	TG(20:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,42,45,51,54,64H,4-15,18,21-24,27,30-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,45-42-,54-51-
HMDB46014	TG(20:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,42,45,64H,4-15,18,21-24,27,30-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,45-42-
HMDB41049	Physagulin D	CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC(C)=C(CO)C(=O)O1	InChI=1S/C34H52O10/c1-16-11-25(43-31(41)21(16)14-35)17(2)22-7-8-23-20-6-5-18-12-19(42-32-30(40)29(39)28(38)26(15-36)44-32)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-30,32,35-40H,6-15H2,1-4H3
HMDB41048	Physagulin B	CC(C1CC(C)=C(C)C(=O)O1)C1=CC(OC(C)=O)C2(O)C3CC(O)C4(Cl)CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C30H39ClO7/c1-15-12-22(38-26(35)16(15)2)17(3)20-14-25(37-18(4)32)30(36)21-13-24(34)29(31)10-7-8-23(33)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,34,36H,9-13H2,1-6H3
HMDB41047	Physagulin A	CC(C1CC(C)=C(C)C(=O)O1)C1=CC(OC(C)=O)C2(O)C3CC4OC44CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C30H38O7/c1-15-12-22(36-26(33)16(15)2)17(3)20-13-25(35-18(4)31)30(34)21-14-24-29(37-24)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,13,17,19,21-22,24-25,34H,9-12,14H2,1-6H3
HMDB41046	Marshmine	COC1=C(CC(O)C(C)=C)C2=C(C(O)=C1)C(=O)C1=C(N2C)C(O)=CC=C1	InChI=1S/C20H21NO5/c1-10(2)14(23)8-12-16(26-4)9-15(24)17-19(12)21(3)18-11(20(17)25)6-5-7-13(18)22/h5-7,9,14,22-24H,1,8H2,2-4H3
HMDB41045	Valechlorin	CC(C)CC(=O)OC1C=C2C(C(OC(=O)CC(C)C)OC=C2COC(C)=O)C1(O)CCl	InChI=1S/C22H31ClO8/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3
HMDB41044	5,7-Megastigmadien-9-ol; (7E,9x)-form, O-b-D-Glucopyranoside	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C19H32O6/c1-11-6-5-9-19(3,4)13(11)8-7-12(2)24-18-17(23)16(22)15(21)14(10-20)25-18/h7-8,12,14-18,20-23H,5-6,9-10H2,1-4H3/b8-7+
HMDB41043	3alpha-Corosolic acid	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1C	InChI=1S/C30H48O4/c1-17-10-12-26(3)14-15-28(5)19(23(26)18(17)2)8-9-21-27(4)16-20(31)24(32)30(7,25(33)34)22(27)11-13-29(21,28)6/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)
HMDB41042	Lablabsaponin I	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6CC(=O)C(O)=C(C)O6)C5(CCC43C)C=O)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C54H82O22/c1-23-34(59)27(58)17-33(69-23)72-32-19-49(3,4)18-26-25-9-10-30-50(5)13-12-31(51(6,21-56)29(50)11-14-53(30,8)52(25,7)15-16-54(26,32)22-57)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(20-55)71-47)75-46-41(66)37(62)35(60)24(2)70-46/h9,22,24,26,28-33,35-44,46-48,55-56,59-66H,10-21H2,1-8H3,(H,67,68)
HMDB41041	Lucyin A	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O	InChI=1S/C30H46O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)
HMDB41040	Lucyoside N	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O	InChI=1S/C36H58O10/c1-31(2)15-20-19-7-8-23-32(3)11-10-25(46-29-28(42)27(41)26(40)21(17-37)45-29)33(4,18-38)22(32)9-12-35(23,6)34(19,5)13-14-36(20,30(43)44)16-24(31)39/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)
HMDB31321	1-Butylamine	CCCCN	InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
HMDB31320	1,3-Butanediol	CC(O)CCO	InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
HMDB34131	Nonyl octanoate	CCCCCCCCCOC(=O)CCCCCCC	InChI=1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3
HMDB31322	1-Butanethiol	CCCCS	InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
HMDB31325	1-Butanol, 9CI; Ac	CCCCOC(C)=O	InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
HMDB31324	3-Buten-1-ol	OCCC=C	InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
HMDB31327	2-Butoxyethanol	CCCCOCCO	InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
HMDB31326	2-Butanol, 9CI; ()-form, Et ether	CCOC(C)CC	InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
HMDB31329	Butyl nitrite	CCCCON=O	InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
HMDB31328	1-Isothiocyanatobutane	CCCCN=C=S	InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
HMDB34139	Trifoliol	COC1=CC2=C(C3=C(O2)C2=CC=C(O)C=C2OC3=O)C(O)=C1	InChI=1S/C16H10O6/c1-20-8-5-10(18)13-12(6-8)21-15-9-3-2-7(17)4-11(9)22-16(19)14(13)15/h2-6,17-18H,1H3
HMDB34138	Repensol	OC1=CC=C2C3=C(C4=C(O3)C=C(O)C=C4O)C(=O)OC2=C1	InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)21-15(19)13-12-9(18)3-7(17)5-11(12)20-14(8)13/h1-5,16-18H
HMDB38803	Heliantriol F	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC=C1CO	InChI=1S/C30H50O3/c1-18-19(17-31)10-13-28(5)24(33)16-30(7)20(25(18)28)8-9-22-27(4)14-12-23(32)26(2,3)21(27)11-15-29(22,30)6/h10,18,20-25,31-33H,8-9,11-17H2,1-7H3
HMDB38802	Heliantriol C	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)C(O)C=C1C	InChI=1S/C30H50O3/c1-17-15-23(32)30(8)24(33)16-29(7)19(25(30)18(17)2)9-10-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h15,18-25,31-33H,9-14,16H2,1-8H3
HMDB38801	Heliantriol B1	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CCC1=C	InChI=1S/C30H50O3/c1-18-10-15-30(17-31)24(33)16-29(7)20(25(30)19(18)2)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3
HMDB38800	Heterobetulin	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC=C1C	InChI=1S/C30H50O3/c1-18-10-15-30(17-31)24(33)16-29(7)20(25(30)19(18)2)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h10,19-25,31-33H,8-9,11-17H2,1-7H3
HMDB38807	Aflatoxin Ex2B1	COC1CC2C(O1)OC1=C2C2=C(C3=C(C(=O)CC3)C(=O)O2)C(OC)=C1	InChI=1S/C18H16O7/c1-21-10-6-11-15(8-5-12(22-2)24-18(8)23-11)16-14(10)7-3-4-9(19)13(7)17(20)25-16/h6,8,12,18H,3-5H2,1-2H3
HMDB38806	Aflatoxin M4	COC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)C(O)C1)C(=O)O2	InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-12(9)7-4-8(18)14(19)13(7)16(20)24-15/h2-3,5-6,8,17-18H,4H2,1H3
HMDB38805	Aflatoxin ExB2	CCOC1CC2C(O1)OC1=C2C2=C(C3=C(C(=O)CC3)C(=O)O2)C(OC)=C1	InChI=1S/C19H18O7/c1-3-23-13-6-9-16-12(24-19(9)25-13)7-11(22-2)15-8-4-5-10(20)14(8)18(21)26-17(15)16/h7,9,13,19H,3-6H2,1-2H3
HMDB38804	3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid	CC1=C(C)C2=C(CCC(C)(O2)C(O)=O)C(C)=C1O	InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
HMDB38809	Luteolin 4'-glucoside 7-galacturonide	OCC1OC(OC2=CC=C(C=C2O)C2=CC(=O)C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)C1O	InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)27(43-16)42-13-2-1-8(3-10(13)29)14-6-12(31)17-11(30)4-9(5-15(17)41-14)40-26-23(37)20(34)21(35)24(44-26)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)
HMDB38808	3',4',5,7-Tetrahydroxyflavone; 3'-O-(O-Acetyl-b-D-glucuronopyranoside)	CC(=O)OC1C(O)C(OC2=CC(=CC=C2O)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O	InChI=1S/C23H20O13/c1-8(24)33-20-18(29)21(22(31)32)36-23(19(20)30)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)
HMDB44709	TG(18:0/15:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,52H,4-12,14-15,17-21,23-24,26-51H2,1-3H3/b16-13-,25-22-
HMDB44708	TG(18:0/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,32,34,51H,4-15,17-18,20-24,26,28-31,33,35-50H2,1-3H3/b19-16-,27-25-,34-32-
HMDB33781	Taurocholic acid; Na salt	[Na+].CC(CCC(=O)NCCS([O-])(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C	InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1
HMDB33780	D-Asparagine	N[C@H](CC(N)=O)C(O)=O	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
HMDB33783	Marshrin	COC1=CC=C2C=CC(=O)OC2=C1C1OC(O)C2(C)OC12	InChI=1S/C15H14O6/c1-15-13(21-15)12(20-14(15)17)10-8(18-2)5-3-7-4-6-9(16)19-11(7)10/h3-6,12-14,17H,1-2H3
HMDB33782	Bergamottin	CC(C)=CCC\C(C)=C/COC1=C2C=CC(=O)OC2=CC2=C1C=CO2	InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9-
HMDB33785	Hamamelitannin	OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2
HMDB33784	28-Hydroxy-7-octacosanone	CCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3
HMDB33787	2,3,9-Trimethoxypterocarpan	COC1=CC=C2C3COC4=CC(OC)=C(OC)C=C4C3OC2=C1	InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-14-8-17(21-3)16(20-2)7-12(14)18(13)23-15(11)6-10/h4-8,13,18H,9H2,1-3H3
HMDB33786	Plastoquinone 3	CC(C)=CCC\C(C)=C\CC\C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O	InChI=1S/C23H32O2/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-21-15-22(24)19(5)20(6)23(21)25/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13-
HMDB33789	2-O-Methyl-L-fucose	COC(C=O)C(O)C(O)C(C)O.COC1C(O)OC(C(C)O)C1O.COC1C(O)OC(C)C(O)C1O	InChI=1S/3C7H14O5/c1-3(8)5-4(9)6(11-2)7(10)12-5;1-3-4(8)5(9)6(11-2)7(10)12-3;1-4(9)6(10)7(11)5(3-8)12-2/h2*3-10H,1-2H3;3-7,9-11H,1-2H3
HMDB33788	Ethyl dodecanoate	CCCCCCCCCCCC(=O)OCC	InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
HMDB47056	TG(24:0/16:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-
HMDB47057	TG(24:0/16:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h26,33,58H,4-25,27-32,34-57H2,1-3H3/b33-26-
HMDB47054	TG(24:0/16:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-
HMDB47055	TG(24:0/16:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB47052	TG(24:0/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-41-44-47-50-53-59(61)64-57-58(65-60(62)54-51-48-45-42-38-24-21-18-15-12-9-6-3)56-63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB47053	TG(24:0/16:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3
HMDB47050	TG(24:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,39,42,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-38,40-41,43-60H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-39-
HMDB47051	TG(24:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,39,42,47,50,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-38,40-41,43-46,48-49,51-60H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-39-,50-47-
HMDB47058	TG(24:0/16:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26-
HMDB47059	TG(24:0/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,38,43,46,60H,4-25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b28-26-,38-35-,46-43-
HMDB32195	Carrageenan and salts of carrageenan	COC1C(O)C(OC2C3CO[C@@H]2C(O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(OC2C3CO[C@@H]2C(OS(O)(=O)=O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(CO)OC(OC2C(O)C(OS(O)(=O)=O)C(C)OC2COS(O)(=O)=O)C1OS(O)(=O)=O	InChI=1S/C14H26O19S3.C14H24O15S2.C14H24O12S/c1-5-10(32-35(21,22)23)9(17)11(7(29-5)4-28-34(18,19)20)31-14-13(33-36(24,25)26)12(27-2)8(16)6(3-15)30-14;1-5-9(28-30(17,18)19)13-10(7(25-5)4-24-13)27-14-8(16)12(23-2)11(6(3-15)26-14)29-31(20,21)22;1-5-8(16)13-10(7(23-5)4-22-13)25-14-9(17)12(21-2)11(6(3-15)24-14)26-27(18,19)20/h5-17H,3-4H2,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);5-16H,3-4H2,1-2H3,(H,17,18,19)(H,20,21,22);5-17H,3-4H2,1-2H3,(H,18,19,20)/t;2*5?,6?,7?,8?,9?,10?,11?,12?,13-,14?/m.11/s1
HMDB42668	TG(14:0/22:2(13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,16-17,19,23-24,50H,4-13,15,18,20-22,25-49H2,1-3H3/b17-14-,19-16-,24-23-
HMDB42669	TG(14:0/22:2(13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,52H,4-15,17-18,21-22,26-51H2,1-3H3/b19-16-,23-20-,25-24-
HMDB42666	TG(14:0/22:2(13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,58H,4-16,18-19,21-24,26,28-57H2,1-3H3/b20-17-,27-25-
HMDB42667	TG(14:0/22:2(13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,60H,4-16,18-19,21-24,26,28-59H2,1-3H3/b20-17-,27-25-
HMDB42664	TG(14:0/22:2(13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-
HMDB42665	TG(14:0/22:2(13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3/b19-16-,26-24-
HMDB42662	TG(14:0/22:2(13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,24-25,51H,4-15,17-18,20-23,26-50H2,1-3H3/b19-16-,25-24-
HMDB42663	TG(14:0/22:2(13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,52H,4-15,17-18,20-23,26-51H2,1-3H3/b19-16-,25-24-
HMDB42660	TG(14:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,37,40,53H,4-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b19-16-,26-24-,31-29-,40-37-
HMDB42661	TG(14:0/22:2(13Z,16Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h16,19,23-24,50H,4-15,17-18,20-22,25-49H2,1-3H3/b19-16-,24-23-
HMDB32788	Populnin; 4''-O-b-D-Glucopyranosyl, 3-O-[(4-hydroxy-3-methoxy-E-cinnamoyl)-(->2)-b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC=C1O	InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3/b9-3+
HMDB32789	Populnin; 4''-O-b-D-Glucopyranosyl, 3-O-[(4-hydroxy-3,5-dimethoxy-E-cinnamoyl)-(->2)-b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O	InChI=1S/C50H60O30/c1-69-23-9-17(10-24(70-2)31(23)58)3-8-29(57)77-45-37(64)33(60)26(14-52)74-49(45)80-46-38(65)34(61)27(15-53)75-50(46)79-44-35(62)30-21(56)11-20(12-22(30)72-42(44)18-4-6-19(55)7-5-18)71-47-41(68)39(66)43(28(16-54)76-47)78-48-40(67)36(63)32(59)25(13-51)73-48/h3-12,25-28,32-34,36-41,43,45-56,58-61,63-68H,13-16H2,1-2H3/b8-3+
HMDB32782	2,6-Diethylaniline	CCC1=CC=CC(CC)=C1N	InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
HMDB32783	Porrigenin A	CC1C2C(CC3C4CC(O)C5CC(O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3
HMDB32780	Jujuboside C	CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C59H96O27/c1-23(2)15-25-16-57(8,74)48-26-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-56(32,7)58(26)21-59(48,86-25)77-22-58)82-52-47(85-50-43(72)38(67)34(63)24(3)78-50)45(27(62)19-75-52)83-53-46(84-51-44(73)40(69)36(65)29(18-61)80-51)41(70)37(66)30(81-53)20-76-49-42(71)39(68)35(64)28(17-60)79-49/h15,24-53,60-74H,9-14,16-22H2,1-8H3
HMDB32781	Acetyljujuboside B	CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(COC(C)=O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C54H86O22/c1-23(2)16-26-17-52(9,65)44-27-10-11-32-50(7)14-13-33(49(5,6)31(50)12-15-51(32,8)53(27)21-54(44,76-26)69-22-53)72-47-43(75-46-40(64)37(61)34(58)24(3)70-46)41(29(57)19-68-47)73-48-42(74-45-39(63)35(59)28(56)18-67-45)38(62)36(60)30(71-48)20-66-25(4)55/h16,24,26-48,56-65H,10-15,17-22H2,1-9H3
HMDB32786	Kaempferol 7-cellobioside 3-sophoroside	OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=C4C(=O)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)=C(OC4=C3)C3=CC=C(O)C=C3)OC2CO)C(O)C(O)C1O	InChI=1S/C39H50O26/c40-7-16-21(46)25(50)29(54)37(59-16)63-33-19(10-43)62-36(31(56)28(33)53)57-13-5-14(45)20-15(6-13)58-32(11-1-3-12(44)4-2-11)34(24(20)49)64-39-35(27(52)23(48)18(9-42)61-39)65-38-30(55)26(51)22(47)17(8-41)60-38/h1-6,16-19,21-23,25-31,33,35-48,50-56H,7-10H2
HMDB32787	Populnin; 4''-O-b-D-Glucopyranosyl, 3-O-[3,4-dihydroxy-E-cinnamoyl-(->2)-b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside]	OCC1OC(OC2C(CO)OC(OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC(=O)\C=C\C5=CC=C(O)C(O)=C5)C4=O)=C3)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H56O29/c49-12-24-30(58)34(62)38(66)46(70-24)75-41-27(15-52)73-45(39(67)37(41)65)68-19-10-22(56)29-23(11-19)69-40(17-3-5-18(53)6-4-17)42(33(29)61)76-48-44(36(64)32(60)26(14-51)72-48)77-47-43(35(63)31(59)25(13-50)71-47)74-28(57)8-2-16-1-7-20(54)21(55)9-16/h1-11,24-27,30-32,34-39,41,43-56,58-60,62-67H,12-15H2/b8-2+
HMDB32784	5-Ethoxysorgoleone 358	CCOC1=CC(=O)C(O)=C(CCCCCCC\C=C\C\C=C\CC=C)C1=O	InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)20(24)18-21(23(19)26)27-4-2/h3,6-7,9-10,18,25H,1,4-5,8,11-17H2,2H3/b7-6+,10-9+
HMDB32785	7-Hydroxy-3,3',4',5,6,8-hexamethoxyflavone	COC1=CC=C(C=C1OC)C1=C(OC)C(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2OC	InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-19(27-4)14(22)13-17(26-3)20(28-5)15(23)21(29-6)18(13)30-16/h7-9,23H,1-6H3
HMDB30490	Artonol E	COC1=CC2=C(C(O)=C1)C(=O)C1=C(O2)C2=C(C(C1)C(C)=C)C(O)=C1OC(C)(C)C=CC1=C2O	InChI=1S/C26H24O7/c1-11(2)14-10-15-22(29)19-16(27)8-12(31-5)9-17(19)32-24(15)20-18(14)23(30)25-13(21(20)28)6-7-26(3,4)33-25/h6-9,14,27-28,30H,1,10H2,2-5H3
HMDB37443	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-b-D-Glucopyranoside, 7-O-a-L-rhamnopyranoside	COC1=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C2=C(O)C=C1OC1OC(C)C(O)C(O)C1O	InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(40-9)41-13-7-12(31)15-18(34)26(44-28-22(38)20(36)17(33)14(8-29)42-28)23(43-25(15)24(13)39-2)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3
HMDB30492	Spirolide B	CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)CCC22CCC(C4CC(C)C(=O)O4)=C(C)C2\C=C(C)\C(O)CC1O3	InChI=1S/C42H63NO7/c1-25-9-8-10-37-40(15-11-26(2)24-43-37)16-13-32(36-21-28(4)38(45)47-36)30(6)33(40)20-27(3)34(44)22-35-29(5)23-41(49-35)17-18-42(50-41)39(7,46)14-12-31(19-25)48-42/h20,26,28-29,31,33-36,44,46H,1,8-19,21-24H2,2-7H3/b27-20+
HMDB30493	Spirolide D	CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)C(C)CC22CCC(C4CC(C)C(=O)O4)=C(C)C2\C=C(C)\C(O)CC1O3	InChI=1S/C43H65NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19,27-30,32,34-37,45,47H,1,9-18,20-24H2,2-8H3/b26-19+
HMDB37446	Orientin; 2''-O-a-L-Rhamnopyranosyl	CC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C=C(O)C3=C2OC(=CC3=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O15/c1-8-19(34)21(36)23(38)27(39-8)42-26-22(37)20(35)16(7-28)41-25(26)18-13(32)5-12(31)17-14(33)6-15(40-24(17)18)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-23,25-32,34-38H,7H2,1H3
HMDB30495	Artonol D	CC(=C)C1CC2=C(OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C2=O)C2=C1C(=O)C1=C(C=CC(C)(C)O1)C2=O	InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3
HMDB30496	ACRL Toxin II	C\C=C(/C)C(O)C(C)\C=C/C(O)C(C)C1=CC(O)=CC(=O)O1	InChI=1S/C17H24O5/c1-5-10(2)17(21)11(3)6-7-14(19)12(4)15-8-13(18)9-16(20)22-15/h5-9,11-12,14,17-19,21H,1-4H3/b7-6-,10-5+
HMDB30497	Eugeniflorin D1	OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C4OC5=C(O)C(O)=C(O)C=C5C(=O)OC5C(OC(=O)C6=CC(O)=C(O)C(O)=C6)OC6COC(=O)C7=C(C(O)=C(O)C(OC8=C(C=C(O)C(O)=C8O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C3=C4)=C7)C1=C(C=C(O)C(O)=C1O)C(=O)OC6C5OC(=O)C1=CC=C(O)C(O)=C1O	InChI=1S/C75H52O48/c76-24-2-1-17(41(85)44(24)88)69(105)120-62-60-36-14-112-68(104)20-11-33(49(93)53(97)39(20)38-19(70(106)118-60)8-30(82)46(90)52(38)96)113-57-22(9-31(83)47(91)55(57)99)72(108)121-63-61(119-65(101)15-3-25(77)42(86)26(78)4-15)59-35(115-74(63)110)13-111-67(103)18-7-29(81)45(89)51(95)37(18)40-21(71(107)117-59)12-34(50(94)54(40)98)114-58-23(10-32(84)48(92)56(58)100)73(109)122-64(62)75(116-36)123-66(102)16-5-27(79)43(87)28(80)6-16/h1-12,35-36,59-64,74-100,110H,13-14H2
HMDB30498	Camelliasaponin A1	C\C=C(\C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO	InChI=1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-45(82-50-41(70)39(68)37(66)29(21-60)77-50)42(71)43(46(83-52)47(72)73)80-51-44(35(64)27(62)22-75-51)81-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10-
HMDB30499	Camelliasaponin A2	C\C=C(/C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO	InChI=1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-45(82-50-41(70)39(68)37(66)29(21-60)77-50)42(71)43(46(83-52)47(72)73)80-51-44(35(64)27(62)22-75-51)81-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10+
HMDB37448	Orientin; 2''-O-a-L-Rhamnopyranosyl, 4'-Me ether	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O	InChI=1S/C28H32O15/c1-9-20(34)22(36)24(38)28(40-9)43-27-23(37)21(35)17(8-29)42-26(27)19-13(32)6-12(31)18-14(33)7-16(41-25(18)19)10-3-4-15(39-2)11(30)5-10/h3-7,9,17,20-24,26-32,34-38H,8H2,1-2H3
HMDB37449	Isoswertiajaponin	COC1=C(C2OC(CO)C(O)C(O)C2O)C2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C=C1	InChI=1S/C22H22O11/c1-31-14-6-12(27)16-11(26)5-13(8-2-3-9(24)10(25)4-8)32-21(16)17(14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-25,27-30H,7H2,1H3
HMDB56431	CL(16:0/16:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h33-36,71-73,78H,5-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB01959	Gamma-Aminobutyryl-lysine	NCCCCC(NC(=O)CCCN)C(O)=O	InChI=1S/C10H21N3O3/c11-6-2-1-4-8(10(15)16)13-9(14)5-3-7-12/h8H,1-7,11-12H2,(H,13,14)(H,15,16)
HMDB01958	Pristanal	CC(C)CCCC(C)CCCC(C)CCCC(C)C=O	InChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3
HMDB32432	12-Methyltridecanal	CC(C)CCCCCCCCCCC=O	InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
HMDB32433	Methyl 9-undecenoate	COC(=O)CCCCCCCC=CC	InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3/b4-3+
HMDB32434	(+/-)-2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propionaldehyde	CC(C=O)C1CCC(C)(O1)C=C	InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3
HMDB32435	Milk powder, whole, enzyme-modified	O[Mg]O	InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2
HMDB32436	Mono- and diglycerides	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(C)=O.CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(C)=O.CCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O.CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O	InChI=1S/C27H50O6.C25H46O6.C25H48O5.C23H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)32-23-26(33-25(3)29)22-31-24(2)28;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)30-22-24(27)21-29-23(2)26;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)28-20-22(25)19-27-21(2)24/h26H,4-23H2,1-3H3;24H,4-21H2,1-3H3;24,27H,3-22H2,1-2H3;22,25H,3-20H2,1-2H3
HMDB32437	Monoglyceride citrate	OCC(O)COC(=O)CC(O)(CC(O)=O)C(O)=O	InChI=1S/C9H14O9/c10-3-5(11)4-18-7(14)2-9(17,8(15)16)1-6(12)13/h5,10-11,17H,1-4H2,(H,12,13)(H,15,16)
HMDB32438	Monoisopropyl citrate	CC(C)OC(=O)CC(O)(CC(O)=O)C(O)=O	InChI=1S/C9H14O7/c1-5(2)16-7(12)4-9(15,8(13)14)3-6(10)11/h5,15H,3-4H2,1-2H3,(H,10,11)(H,13,14)
HMDB32439	Nitrogen oxides	[NH3+][O-]	InChI=1S/H3NO/c1-2/h1H3
HMDB01952	Hexacarboxylporphyrin III	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4CC(O)=O)/C(CC(O)=O)=C3CCC(O)=O	InChI=1S/C38H38N4O12/c1-17-19(3-7-33(43)44)27-15-30-22(6-10-36(49)50)23(11-37(51)52)31(42-30)14-26-18(2)20(4-8-34(45)46)28(40-26)16-32-24(12-38(53)54)21(5-9-35(47)48)29(41-32)13-25(17)39-27/h13-16,39-40H,3-12H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-
HMDB01955	3-Phenylbutyric acid	CC(CC(O)=O)C1=CC=CC=C1	InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
HMDB01954	3-Hydroxyoctanoic acid	CCCCCC(O)CC(O)=O	InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
HMDB01957	Pentacarboxyl porphyrinogen III	CC1=C(CCC(O)=O)C2=NC1CC1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C3\N\C(=C/2)C(CCC(O)=O)=C3CC(O)=O)C(CCC(O)=O)=C1C	InChI=1S/C37H40N4O10/c1-17-20(4-8-33(42)43)28-14-27-19(3)22(6-10-35(46)47)30(40-27)16-32-24(12-37(50)51)23(7-11-36(48)49)31(41-32)15-29-21(5-9-34(44)45)18(2)26(39-29)13-25(17)38-28/h14-16,26,38,41H,4-13H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/b27-14-,31-15-,32-16-
HMDB01956	Heptacarboxylporphyrin III	CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5CCC(O)=O)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O	InChI=1S/C40H40N4O14/c1-18-19(2-7-34(45)46)27-15-32-24(12-39(55)56)23(6-11-38(53)54)31(44-32)17-33-25(13-40(57)58)22(5-10-37(51)52)30(43-33)16-29-21(4-9-36(49)50)20(3-8-35(47)48)28(42-29)14-26(18)41-27/h14-17,41,43H,2-13H2,1H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/b26-14-,27-15-,28-14-,29-16-,30-16-,31-17-,32-15-,33-17-
HMDB38375	Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C(C5C(O)C(OC6=CC(O)=CC(O)=C56)C5=CC(O)=C(O)C=C5)C(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C45H38O19/c46-17-9-24(52)32-31(10-17)62-42(15-2-4-20(48)23(51)6-15)39(60)36(32)34-26(54)13-27(55)35-37(40(61)43(64-45(34)35)16-7-28(56)38(59)29(57)8-16)33-25(53)12-21(49)18-11-30(58)41(63-44(18)33)14-1-3-19(47)22(50)5-14/h1-10,12-13,30,36-37,39-43,46-61H,11H2
HMDB38374	Gallocatechin-(4alpha->8)-catechin-(4alpha->8)-catechin	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C(C5C(O)C(OC6=CC(O)=CC(O)=C56)C5=CC(O)=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C45H38O19/c46-17-9-24(52)32-31(10-17)62-43(16-7-28(56)38(59)29(57)8-16)39(60)36(32)34-26(54)13-27(55)35-37(40(61)42(64-45(34)35)15-2-4-20(48)23(51)6-15)33-25(53)12-21(49)18-11-30(58)41(63-44(18)33)14-1-3-19(47)22(50)5-14/h1-10,12-13,30,36-37,39-43,46-61H,11H2
HMDB38377	Goshonoside F4	C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12C)=C\COC1OC(CO)C(O)C(O)C1O	InChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10-
HMDB38376	Goshonoside F3	C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(=O)OC1OC(CO)C(O)C(O)C1O)=C\COC1OC(CO)C(O)C(O)C1O	InChI=1S/C32H52O13/c1-16(10-13-42-28-26(39)24(37)22(35)19(14-33)43-28)6-8-18-17(2)7-9-21-31(18,3)11-5-12-32(21,4)30(41)45-29-27(40)25(38)23(36)20(15-34)44-29/h10,18-29,33-40H,2,5-9,11-15H2,1,3-4H3/b16-10-
HMDB38371	Procyanidin C1 3',3''-di-O-gallate	OC1C(OC2=CC(O)=CC(O)=C2C1C1=C2OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=C4OC(C(CC4=C(O)C=C3O)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C59H46O26/c60-24-14-33(68)43-41(15-24)81-53(20-2-5-27(62)31(66)8-20)51(78)47(43)44-35(70)18-36(71)46-48(57(85-59(80)23-12-39(74)50(77)40(75)13-23)54(84-56(44)46)21-3-6-28(63)32(67)9-21)45-34(69)17-29(64)25-16-42(82-58(79)22-10-37(72)49(76)38(73)11-22)52(83-55(25)45)19-1-4-26(61)30(65)7-19/h1-15,17-18,42,47-48,51-54,57,60-78H,16H2
HMDB38370	Procyanidin C1	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=CC(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1
HMDB38373	[Gallocatechin(4alpha->8)]2catechin	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C(C5C(O)C(OC6=CC(O)=CC(O)=C56)C5=CC(O)=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C45H38O20/c46-16-8-21(50)31-30(9-16)63-42(14-4-25(54)37(59)26(55)5-14)39(61)35(31)33-23(52)12-24(53)34-36(40(62)43(65-45(33)34)15-6-27(56)38(60)28(57)7-15)32-22(51)11-19(48)17-10-29(58)41(64-44(17)32)13-1-2-18(47)20(49)3-13/h1-9,11-12,29,35-36,39-43,46-62H,10H2
HMDB38372	Procyanidin C1 3,3',3''-tri-O-gallate	OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1)C1=C2OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=C4OC(C(CC4=C(O)C=C3O)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1	InChI=1S/C66H50O30/c67-27-16-36(75)48-46(17-27)91-58(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-42(81)55(86)43(82)13-25)52(48)50-38(77)20-39(78)51-53(63(96-66(90)26-14-44(83)56(87)45(84)15-26)59(94-61(50)51)23-3-6-31(70)35(74)9-23)49-37(76)19-32(71)28-18-47(92-64(88)24-10-40(79)54(85)41(80)11-24)57(93-60(28)49)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,57-59,62-63,67-87H,18H2
HMDB38379	1-Piperazinecarbodithioic acid	SC(=S)N1CCNCC1	InChI=1S/C5H10N2S2/c8-5(9)7-3-1-6-2-4-7/h6H,1-4H2,(H,8,9)
HMDB38378	Goshonoside F7	C\C(CCC1C(=C)CCC2C(C)(C)C(CCC12C)OC1OC(CO)C(O)C(O)C1O)=C\COC1OC(CO)C(O)C(O)C1O	InChI=1S/C32H54O12/c1-16(11-13-41-29-27(39)25(37)23(35)19(14-33)42-29)6-8-18-17(2)7-9-21-31(3,4)22(10-12-32(18,21)5)44-30-28(40)26(38)24(36)20(15-34)43-30/h11,18-30,33-40H,2,6-10,12-15H2,1,3-5H3/b16-11-
HMDB30146	(3xi,6E)-1,7-Diphenyl-6-hepten-3-ol	OC(CC\C=C/C1=CC=CC=C1)CCC1=CC=CC=C1	InChI=1S/C19H22O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-7,9-13,19-20H,8,14-16H2/b13-7-
HMDB30147	Prehumulone	CC(C)CCC(=O)C1=C(O)C(O)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O	InChI=1S/C22H32O5/c1-13(2)7-9-16-19(24)18(17(23)10-8-14(3)4)21(26)22(27,20(16)25)12-11-15(5)6/h7,11,14,16,26-27H,8-10,12H2,1-6H3
HMDB30144	alpha-Cotonefuran	COC1=C2OC3=C(OC)C(OC)=C(O)C=C3C2=CC=C1O	InChI=1S/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3
HMDB30145	Ascochitine	CCC(C)C1=C(C)C2=CC(=O)C(C(O)=O)=C(O)C2=CO1	InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)
HMDB30142	Physalolactone C	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC=C2C3CC(Cl)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H37ClO7/c1-14-12-22(36-23(32)15(14)2)26(5,33)27(34)11-9-17-16-13-19(29)28(35)21(31)7-6-20(30)25(28,4)18(16)8-10-24(17,27)3/h6-7,9,16,18-19,21-22,31,33-35H,8,10-13H2,1-5H3
HMDB30143	Talaromycin A	CCC1CCC2(CC(O)C(CO)CO2)OC1	InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3
HMDB30140	Adlupulone	CCC(C)C(=O)C1=C(O)C(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	InChI=1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19-20,28H,9,11,14-15H2,1-8H3
HMDB30141	Isosojagol	CC(C)=CCC1=C2OC3=C(C2=CC=C1O)C(=O)OC1=C3C=CC(O)=C1	InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-17-19(25-18(12)14)13-6-4-11(21)9-16(13)24-20(17)23/h3-4,6-9,21-22H,5H2,1-2H3
HMDB30148	Prehumulinic acid	CC(C)CCC(=O)C1=C(O)C(O)C(CC=C(C)C)C1=O	InChI=1S/C16H24O4/c1-9(2)5-7-11-14(18)13(16(20)15(11)19)12(17)8-6-10(3)4/h5,10-11,15,19-20H,6-8H2,1-4H3
HMDB30149	Glisoflavanone	CC(C)=CCC1=C(O)C=CC(C2COC3=CC(O)=C(CC=C(C)C)C(O)=C3C2=O)=C1O	InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)28)18-12-31-21-11-20(27)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3
HMDB08721	PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25-26,29,31,40,43,47H,6-7,9,11-13,15,17-19,24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,26-25-,31-29-,43-40-
HMDB08720	PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,29,31,40,43,47H,6-7,9,11-13,15,18,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,31-29-,43-40-
HMDB08723	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25,27,30,32,42H,6-7,9,11-12,17-18,21,24,26,28-29,31,33-41H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,27-25-,32-30-/t42-/m1/s1
HMDB08722	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,30,32,42H,6-7,9,11-13,15,17-18,21,24,26,28-29,31,33-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,32-30-/t42-/m1/s1
HMDB08725	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27-28,32,34,44H,6-7,9,11-13,15,17-19,22,25-26,29-31,33,35-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1
HMDB08724	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C45H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,31,33,43H,6-7,9,11-13,15,17-19,22,25,27,29-30,32,34-42H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-,33-31-/t43-/m1/s1
HMDB08727	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28,30,34,36,46H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1
HMDB08726	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27-28,32,34,44H,6-7,9,11-13,15,18,22,25-26,29-31,33,35-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1
HMDB08729	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,28,30,34,36,46H,6-7,9,11-13,15,17-19,23,27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
HMDB08728	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,28,30,34,36,46H,6-7,9,11-13,15,18,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1
HMDB45552	TG(20:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,39,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-37-
HMDB55100	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,36,39,45,48,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-35,37-38,40-44,46-47,49-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,48-45-
HMDB51279	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-7,9-10,12-15,18,21-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB54399	TG(22:2(13Z,16Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34,37,43,46,52,55,66H,4-6,8-9,11-15,18,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB44285	TG(16:0/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,37,52H,4-16,18-19,21-24,29-33,35-36,38-51H2,1-3H3/b20-17-,27-25-,28-26-,37-34-
HMDB51278	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-7,9-10,12-15,18,21-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-
HMDB36795	Azorubine	OC1=C(C=C(C2=C1C=CC=C2)S(O)(=O)=O)\N=N/C1=CC=C(C2=C1C=CC=C2)S(O)(=O)=O	InChI=1S/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21-
HMDB36794	Azorhodine 2G	CC(=O)NC1=CC(=CC2=C1C(O)=C(\N=N\C1=CC=CC=C1)C(=C2)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)/b21-20+
HMDB36797	Mustakone	CC(C)C1CCC2(C)C3C1C2C(=O)C=C3C	InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10,12-14H,5-6H2,1-4H3
HMDB36796	(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene	CC(C)C1CCC2(C)C3C=CC(=C)C2C13	InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3
HMDB36791	Isokobusone	CC1(C)CC2C1CCC(=C)C(O)CCC2=O	InChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3
HMDB36790	Kobusone	CC12CCC3C(CC3(C)C)C(=O)CCC1O2	InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3
HMDB36793	3,15-Epoxy-6-caryophyllene	C\C1=C\CCC2(CO2)C2CC(C)(C)C2CC1	InChI=1S/C15H24O/c1-11-5-4-8-15(10-16-15)13-9-14(2,3)12(13)7-6-11/h5,12-13H,4,6-10H2,1-3H3/b11-5-
HMDB36792	beta-Caryophyllene	C\C1=C\CCC(=C)C2CC(C)(C)C2CC1	InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-
HMDB36799	Cycloseychellene	CC1CCC2(C)C3(C)C4CC2(C)C1CC34	InChI=1S/C15H24/c1-9-5-6-14(3)13(2)8-12-11(7-10(9)13)15(12,14)4/h9-12H,5-8H2,1-4H3
HMDB36798	8alpha-3-Copaen-8-ol	CC(C)C1C2C3CC=C(C)C2C3(C)CC1O	InChI=1S/C15H24O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h5,8,10-14,16H,6-7H2,1-4H3
HMDB51271	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-15,18,21-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-
HMDB51270	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,36,39-40,43,45,48-49,52,61H,4-14,17,20-23,30-31,33,35,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-,52-49-
HMDB50109	TG(18:1(9Z)/22:2(13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34-35,38,60H,4-15,18,21-24,30-33,36-37,39-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,38-35-
HMDB36429	(3beta,4alpha,5alpha,14alpha,24xi)-4,14,24-Trimethylcholest-9(11)-en-3-ol	CC(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H52O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h14,19-24,26-27,31H,9-13,15-18H2,1-8H3
HMDB36428	(4alpha,5beta,6alpha,7alpha,10alpha)-1-Aromadendrene	CC1CC=C2C1C1C(CCC2C)C1(C)C	InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h7,9-10,12-14H,5-6,8H2,1-4H3
HMDB36423	Cynaropicrin	OCC(=C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12	InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2
HMDB36422	Fauronyl acetate	CC(C)C1CC2(C)C(=O)CCCC2(C)CC1OC(C)=O	InChI=1S/C17H28O3/c1-11(2)13-9-17(5)15(19)7-6-8-16(17,4)10-14(13)20-12(3)18/h11,13-14H,6-10H2,1-5H3
HMDB36421	(-)-Valeranone	CC(C)C1CCC2(C)CCCC(=O)C2(C)C1	InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3
HMDB36420	Spathulenol	CC1(C)C2CCC(=C)C3CCC(C)(O)C3C12	InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3
HMDB36427	Procurcumenol	CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=O	InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3
HMDB36426	Butyl undecylenate	CCCCOC(=O)CCCCCCCCC=C	InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3
HMDB36425	Persicachrome	C\C(CO)=C/C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7-,12-9+,18-10+,19-11+,20-13-
HMDB36424	Allyl undecylenate	C=CCCCCCCCCC(=O)OCC=C	InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2
HMDB44288	TG(16:0/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,38,41,56H,4-16,18-19,21-24,28-30,32-37,39-40,42-55H2,1-3H3/b20-17-,27-25-,31-26-,41-38-
HMDB43957	TG(16:0/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,34,56H,4-15,17-18,20-24,26,28-30,32-33,35-55H2,1-3H3/b19-16-,27-25-,34-31-
HMDB58094	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58095	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37,39-40,42,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB34498	(3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene	CC(C)=CCC\C(C)=C/CC\C(C)=C\C=C	InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13-
HMDB58093	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37,39-40,42,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB46839	TG(22:0/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-
HMDB43956	TG(16:0/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,55H,4-13,15-16,18-22,24-25,27-54H2,1-3H3/b17-14-,26-23-
HMDB34494	Acevaltrate	CC(C)CC(=O)OC1OC=C(COC(C)=O)C2=CC(OC(=O)CC(C)(C)OC(C)=O)C3(CO3)C12	InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3
HMDB34495	6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one	CC(C)=CCC\C(C)=C/CC\C(C)=C\CCC(C)=O	InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11-,17-13+
HMDB34496	6,10,14-Trimethyl-2-methylenepentadecanal	CC(C)CCCC(C)CCCC(C)CCCC(=C)C=O	InChI=1S/C19H36O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18H,5-14H2,1-4H3
HMDB34497	meso-Pristane	CC(C)CCCC(C)CCCC(C)CCCC(C)C	InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
HMDB34490	M1	OCC1=NC=C(N1CC(O)CCl)[N+]([O-])=O	InChI=1S/C7H10ClN3O4/c8-1-5(13)3-10-6(4-12)9-2-7(10)11(14)15/h2,5,12-13H,1,3-4H2
HMDB34491	()-Camphoric acid	CC1(C)C(CCC1(C)C(O)=O)C(O)=O	InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
HMDB34492	Dihydrovaltrate	CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C21CO1	InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3
HMDB34493	Valtrate	OCC1=COC(O)C2C1=CC(O)C21CO1	InChI=1S/C10H12O5/c11-2-5-3-14-9(13)8-6(5)1-7(12)10(8)4-15-10/h1,3,7-9,11-13H,2,4H2
HMDB09890	PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,39,42-47,50-54H,3-10,15-16,20,24-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09891	PI(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,30,32,41,44-49,52-56H,3-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09892	PI(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,41,44-49,52-56H,3-10,15-16,21-22,27-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09893	PI(20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,25,27,37,40-45,48-52H,3-10,12,14-16,19,21,23-24,26,28-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-,27-25-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09894	PI(20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,39,42-47,50-54H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,23-22-,29-27-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09895	PI(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,27,29,39,42-47,50-54H,3-10,12,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,19-17-,23-22-,29-27-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09896	PI(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,39,42-47,50-54H,3-10,12,14-16,20,24-26,28,30-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09897	PI(20:4(5Z,8Z,11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,41,44-49,52-56H,3-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,25-23-,31-29-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09898	PI(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,41,44-49,52-56H,3-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,20-18-,25-23-,31-29-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09899	PI(20:4(8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,37,40-45,48-52H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,53,54)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB43952	TG(16:0/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB39673	4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one	CCC1CC(=O)C(O)=C1C	InChI=1S/C8H12O2/c1-3-6-4-7(9)8(10)5(6)2/h6,10H,3-4H2,1-2H3
HMDB43951	TG(16:0/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,34,40,43,56H,4-24,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b27-25-,34-31-,43-40-
HMDB55107	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,39-40,42-44,47-49,51-52,62H,4-6,8,11,13-15,22-24,30-31,37-38,41,45-46,50,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-,52-49-
HMDB39671	5-Methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one	CC1(CC=C(N2CCCC2)C1=O)N1CCCC1	InChI=1S/C14H22N2O/c1-14(16-10-4-5-11-16)7-6-12(13(14)17)15-8-2-3-9-15/h6H,2-5,7-11H2,1H3
HMDB58548	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB58549	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB58544	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,59,63,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB39677	3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one	CC1CC(=O)C(N2CCCC2)=C1C	InChI=1S/C11H17NO/c1-8-7-10(13)11(9(8)2)12-5-3-4-6-12/h8H,3-7H2,1-2H3
HMDB58546	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-35,40,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58547	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58540	CL(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40,42-43,45,53,57,78-80,85H,5-20,22-24,27,29,31,34,36,39,41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,32-28-,37-33-,40-35-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB13751	2-hydroxypyridine	OC1=CC=CC=N1	InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
HMDB58542	CL(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-35,40,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB58543	CL(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-39,42-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35,40-41,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB15341	Levobunolol	CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O	InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
HMDB15340	Dezocine	[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N	InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
HMDB15343	Ceftriaxone	[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
HMDB15342	Clarithromycin	[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC	InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
HMDB15345	Metipranolol	CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1	InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3
HMDB15344	Fomepizole	CC1=CNN=C1	InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
HMDB15347	Finasteride	[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C	InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
HMDB15346	Estazolam	ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1	InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
HMDB15349	Halofantrine	CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F	InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3
HMDB15348	Anastrozole	CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N	InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
HMDB39674	2-(1-Pyrrolidinyl)-2-cyclopenten-1-one	O=C1CCC=C1N1CCCC1	InChI=1S/C9H13NO/c11-9-5-3-4-8(9)10-6-1-2-7-10/h4H,1-3,5-7H2
HMDB43959	TG(16:0/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,58H,4-15,17-18,20-24,26,28-57H2,1-3H3/b19-16-,27-25-
HMDB15697	Bupranolol	CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1	InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
HMDB15696	Bopindolol	CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1	InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
HMDB15695	Roxatidine acetate	CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1	InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
HMDB15694	Nandrolone decanoate	CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C	InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1
HMDB15693	Tymazoline	CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1	InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)
HMDB15692	Isothipendyl	CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C	InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3
HMDB15691	Dimethindene	[H]C1=NC(=C([H])C([H])=C1[H])C([H])(C1=C(C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H]	InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
HMDB15690	Chloropyramine	CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1	InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3
HMDB39952	6-O-b-D-Apiofuranosyl-D-glucose; b-D-Pyranose-form, 1-O-(3-Methyl-2-butenoyl)	CC(C)=CC(=O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C16H26O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h3,8,10-15,17,19-23H,4-6H2,1-2H3
HMDB39953	6-O-b-D-Apiofuranosyl-D-glucose; b-D-Pyranose-form, 1-O-(3-Methylbutanoyl)	CC(C)CC(=O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C16H28O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h7-8,10-15,17,19-23H,3-6H2,1-2H3
HMDB39950	Trigoneoside VIII	CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C44H72O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-8-26-19(2)31-28(59-26)12-23-21-7-6-20-11-27(24(46)13-44(20,4)22(21)9-10-43(23,31)3)60-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)25(47)16-57-40/h18,20-25,27-42,45-55H,5-17H2,1-4H3
HMDB39951	Kaempferol 3-(6''-rhamnosylsophoroside)	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3
HMDB39956	4-(Ethoxymethyl)phenol	CCOCC1=CC=C(O)C=C1	InChI=1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3
HMDB39957	4-(Butoxymethyl)phenol	CCCCOCC1=CC=C(O)C=C1	InChI=1S/C11H16O2/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,12H,2-3,8-9H2,1H3
HMDB15699	Tofisopam	CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1	InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3
HMDB15698	Cinitapride	CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O	InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
HMDB57199	CL(18:0/18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB29391	N-Jasmonoylisoleucine	CC\C=C\CC1C(CC(=O)NC(C(C)CC)C(O)=O)CCC1=O	InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6+
HMDB29390	L-Furosine	NC(CCCCNCC(=O)C1=CC=CO1)C(O)=O	InChI=1S/C12H18N2O4/c13-9(12(16)17)4-1-2-6-14-8-10(15)11-5-3-7-18-11/h3,5,7,9,14H,1-2,4,6,8,13H2,(H,16,17)
HMDB29393	L-N-(3-Carboxypropyl)glutamine	NC(CCC(=O)NCCCC(O)=O)C(O)=O	InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)
HMDB29395	L-L-Homoglutathione	NC(CCC(=O)NC(CS)C(=O)NCCC(O)=O)C(O)=O	InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)
HMDB29394	gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine	CC(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O	InChI=1S/C14H23N3O8S/c1-7(13(22)23)5-26-6-9(12(21)16-4-11(19)20)17-10(18)3-2-8(15)14(24)25/h7-9H,2-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)
HMDB29397	L-Nicotianine	NC(CC[N+]1=CC(=CC=C1)C([O-])=O)C(O)=O	InChI=1S/C10H12N2O4/c11-8(10(15)16)3-5-12-4-1-2-7(6-12)9(13)14/h1-2,4,6,8H,3,5,11H2,(H-,13,14,15,16)
HMDB29396	L-cis-3-Amino-2-pyrrolidinecarboxylic acid	NC1CCNC1C(O)=O	InChI=1S/C5H10N2O2/c6-3-1-2-7-4(3)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)
HMDB29399	Ochratoxin A	C[C@@H]1CC2=C(C(=O)O1)C(O)=C(C=C2Cl)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
HMDB29398	(3-Nitroamino)alanine	NC(CNN(=O)=O)C(O)=O	InChI=1S/C3H7N3O4/c4-2(3(7)8)1-5-6(9)10/h2,5H,1,4H2,(H,7,8)
HMDB37866	4-Ethyl-2,5-dimethyloxazole	CCC1=C(C)OC(C)=N1	InChI=1S/C7H11NO/c1-4-7-5(2)9-6(3)8-7/h4H2,1-3H3
HMDB46652	TG(22:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35-36,38,44,47,61H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-30-,38-36-,47-44-
HMDB01545	Pyridoxal	CC1=C(O)C(C=O)=C(CO)C=N1	InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
HMDB37860	2-Methyl-5-propyloxazole	CCCC1=CN=C(C)O1	InChI=1S/C7H11NO/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3
HMDB57190	CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35-37,39-40,42-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,38,41,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB37861	5-Methyl-2-propyloxazole	CCCC1=NC=C(C)O1	InChI=1S/C7H11NO/c1-3-4-7-8-5-6(2)9-7/h5H,3-4H2,1-2H3
HMDB50100	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,35,41,44,57H,4-15,17-18,20-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,28-25-,31-27-,35-32-,44-41-
HMDB55106	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,39-40,42-44,47,49,52,62H,4-6,8,11,13-15,22-24,30-31,37-38,41,45-46,48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,52-49-
HMDB57196	CL(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB01541	Guanosine hexaphosphate adenosine	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	InChI=1S/C20H30N10O26P6/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(50-18)1-48-57(36,37)52-59(40,41)54-61(44,45)56-62(46,47)55-60(42,43)53-58(38,39)49-2-7-11(32)13(34)19(51-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
HMDB57197	CL(18:0/18:2(9Z,12Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,37-38,41-42,77-79,84H,5-24,27-28,31-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,41-37-,42-38-/t78-,79-/m1/s1
HMDB45029	TG(18:0/22:1(13Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-
HMDB45028	TG(18:0/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,35,38,44,47,60H,4-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b28-25-,29-26-,38-35-,47-44-
HMDB45021	TG(18:0/22:1(13Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-
HMDB45020	TG(18:0/22:1(13Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-
HMDB45023	TG(18:0/22:1(13Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,24,26,54H,4-14,16-17,19-23,25,27-53H2,1-3H3/b18-15-,26-24-
HMDB45022	TG(18:0/22:1(13Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-
HMDB45025	TG(18:0/22:1(13Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20,23,25,28,58H,4-19,21-22,24,26-27,29-57H2,1-3H3/b23-20-,28-25-
HMDB45024	TG(18:0/22:1(13Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-
HMDB45027	TG(18:0/22:1(13Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-
HMDB45026	TG(18:0/22:1(13Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25-26,28,32,58H,4-24,27,29-31,33-57H2,1-3H3/b28-25-,32-26-
HMDB00853	N-Acetyl-b-D-galactosamine	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
HMDB00852	Beta-Sitosterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
HMDB00851	Pyridinoline	N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O	InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1
HMDB00857	Pimelic acid	OC(=O)CCCCCC(O)=O	InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
HMDB00856	N-a-Acetylcitrulline	CC(=O)NC(CCCNC(N)=O)C(O)=O	InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)
HMDB00855	Nicotinamide riboside	NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1
HMDB00854	Formiminoglutamic acid	OC(=O)CC[C@H](NC=N)C(O)=O	InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
HMDB00859	Methylhippuric acid	COC(=O)CNC(=O)C1=CC=CC=C1	InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
HMDB00858	Monomethyl glutaric acid	COC(=O)CCCC(O)=O	InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
HMDB00505	Allocholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC(O)[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19-,20?,22+,23+,24-/m1/s1
HMDB59076	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-49-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,42,44-47,49-50,54,57,61-62,66,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,48,51-53,55-56,58-60,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,49-47-,54-50-,61-57-,66-62-/t83?,84-,85-/m1/s1
HMDB59075	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,65-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-/t86?,87-,88-/m1/s1
HMDB00506	Alpha-Muricholic acid	[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15?,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1
HMDB00501	7-Ketocholesterol	[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C=C2CC(O)CC[C@]12C	InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20?,21?,22+,23+,25+,26+,27-/m1/s1
HMDB48679	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,33,39,42,54H,4-20,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b24-21-,27-25-,29-26-,33-30-,42-39-
HMDB44876	TG(18:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,33,36,41,44,54H,4-14,17,20-23,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,36-33-,44-41-
HMDB00500	4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
HMDB14566	Methylphenidate	COC(=O)C(C1CCCCN1)C1=CC=CC=C1	InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
HMDB14567	Methocarbamol	COC1=CC=CC=C1OCC(O)COC(N)=O	InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
HMDB14564	Promazine	CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12	InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
HMDB14565	Spironolactone	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O	InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
HMDB14562	Secobarbital	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O	InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
HMDB14563	Miglustat	CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
HMDB14560	Metocurine Iodide	[I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3	InChI=1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1
HMDB14561	Penicillin V	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O	InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
HMDB55297	TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,38-39,42,60H,4-7,10,13-15,22-24,30,32,36-37,40-41,43-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-
HMDB59070	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64-65,67,69,71,86-88,93H,5-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,66,68,70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-,69-65-,71-67-/t86?,87-,88-/m1/s1
HMDB14568	Hyoscyamine	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1
HMDB44871	TG(18:0/14:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,51H,4-12,14,17,19-21,23,25-50H2,1-3H3/b16-13-,18-15-,24-22-
HMDB52148	TG(24:1(15Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,47,50,70H,4-17,19-20,22-24,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB52149	TG(24:1(15Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,47,50,56,59,70H,4-17,19-20,22-24,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,50-47-,59-56-
HMDB52146	TG(24:1(15Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,51,54,68H,4-17,19-20,22-24,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-,54-51-
HMDB52147	TG(24:1(15Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,70H,4-17,19-20,22-24,31-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-
HMDB52144	TG(24:1(15Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C70H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,67H,4-14,16-17,19-23,30-66H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB52145	TG(24:1(15Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,68H,4-17,19-20,22-24,31-41,43-44,46-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-
HMDB52142	TG(24:1(15Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C70H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,41,67H,4-20,22-23,27,31-40,42-66H2,1-3H3/b24-21-,28-25-,29-26-,41-30-
HMDB52143	TG(24:1(15Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,40,46,49,66H,4-17,19-20,22-24,30-39,41-45,47-48,50-65H2,1-3H3/b21-18-,28-25-,29-26-,40-27-,49-46-
HMDB52140	TG(24:1(15Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,65H,4-24,27,30-64H2,1-3H3/b28-25-,29-26-
HMDB52141	TG(24:1(15Z)/24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C75H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,72H,4-24,31-71H2,1-3H3/b28-25-,29-26-,30-27-
HMDB42204	TG(14:0/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-51H2,1-3H3/b11-8-,20-17-,28-25-
HMDB48675	TG(16:1(9Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,39-36-,48-45-
HMDB45506	TG(20:0/15:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-
HMDB48674	TG(16:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,39-36-
HMDB42205	TG(14:0/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,33,36,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b11-8-,20-17-,28-25-,36-33-
HMDB55029	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,40-41,43-44,49-50,52-53,63H,4-15,18,22-23,27,31-32,38-39,42,45-48,51,54-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,43-40-,44-41-,52-49-,53-50-
HMDB43955	TG(16:0/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,54H,4-16,18-19,21-25,27-28,30-34,36-37,39-53H2,1-3H3/b20-17-,29-26-,38-35-
HMDB44872	TG(18:0/14:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,52H,4-14,17,20-23,25,27-28,30,32-51H2,1-3H3/b18-15-,19-16-,26-24-,31-29-
HMDB42206	TG(14:0/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,54H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-53H2,1-3H3/b10-7-,19-16-,26-24-,32-30-
HMDB13039	Prostaglandin G1	CCCCC[C@H](OO)\C=C\[C@@H]1[C@@H]2C[C@@H](OO2)[C@H]1CCCCCCC(O)=O	InChI=1S/C20H34O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h12-13,15-19,23H,2-11,14H2,1H3,(H,21,22)/b13-12+/t15-,16-,17-,18+,19-/m0/s1
HMDB13038	Prostaglandin E2 ethanolamide	CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)NCCO	InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21-/m0/s1
HMDB43954	TG(16:0/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,28,30,55H,4-19,21-22,24-27,29,31-54H2,1-3H3/b23-20-,30-28-
HMDB13031	O2'-4a-cyclic-tetrahydrobiopterin	C[C@H]1OC23NC(CNC2=NC(N)=NC3=O)[C@H]1O	InChI=1S/C9H13N5O3/c1-3-5(15)4-2-11-6-9(14-4,17-3)7(16)13-8(10)12-6/h3-5,14-15H,2H2,1H3,(H3,10,11,12,13,16)/t3-,4?,5+,9?/m1/s1
HMDB13030	Noradrenochrome	OC1CN=C2CC(=O)C(=O)C=C12	InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1,8,12H,2-3H2
HMDB13033	Oxytocin 1-8	CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C(N)SSC[C@@H](NC(=O)C(CC(O)=N)NC(=O)[C@H](CCC(O)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(O)=O	InChI=1S/C40H60N10O12S2/c1-5-20(4)31-37(58)44-23(12-13-29(41)52)33(54)45-25(17-30(42)53)34(55)48-27(39(60)50-14-6-7-28(50)36(57)47-26(40(61)62)15-19(2)3)18-63-64-32(43)38(59)46-24(35(56)49-31)16-21-8-10-22(51)11-9-21/h8-11,19-20,23-28,31-32,51H,5-7,12-18,43H2,1-4H3,(H2,41,52)(H2,42,53)(H,44,58)(H,45,54)(H,46,59)(H,47,57)(H,48,55)(H,49,56)(H,61,62)/t20-,23+,24+,25?,26-,27-,28-,31+,32?/m1/s1
HMDB13032	Omega-Carboxy-trinor-leukotriene B4	O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCC(O)=O	InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m1/s1
HMDB13035	Paraoxon	CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O	InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
HMDB13034	Palmitoylglycine	CCCCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)
HMDB13037	Pentanoyl-CoA	CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1
HMDB13036	1-Pentanol	CCCCCO	InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
HMDB55734	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,9,12-15,18,21-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB55735	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,9,12-15,18,21-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB42207	TG(14:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,41-38-
HMDB55736	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB55737	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,36-37,39-40,45-46,48-49,62H,4-7,10,13-16,19,22-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB07009	DG(14:0/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C31H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,29,32H,3-9,11,13-28H2,1-2H3/b12-10-/t29-/m0/s1
HMDB07008	DG(14:0/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1
HMDB07005	CPA(18:1(11Z)/0:0)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC1COP(O)(=O)O1	InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h7-8,20H,2-6,9-19H2,1H3,(H,23,24)/b8-7-
HMDB07004	CPA(18:0/0:0)	CCCCCCCCCCCCCCCCCC(=O)OCC1COP(O)(=O)O1	InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h20H,2-19H2,1H3,(H,23,24)
HMDB07007	CPA(18:2(9Z,12Z)/0:0)	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC1COP(O)(=O)O1	InChI=1S/C21H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,23,24)/b7-6-,10-9-
HMDB07006	CPA(18:1(9Z)/0:0)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC1COP(O)(=O)O1	InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)/b10-9-
HMDB07001	CDP-DG(18:1(9Z)/22:3(10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h11,13,17-19,21-23,39-40,44-45,49-51,58-59H,3-10,12,14-16,20,24-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b13-11-,19-17-,22-21-,23-18-/t44-,45-,49+,50?,51-/m1/s1
HMDB07000	CDP-DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11,13,17-19,21-22,24,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,14-16,20,23,25-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,19-17-,21-18-,24-22-/t42-,43-,47+,48?,49-/m1/s1
HMDB07003	CPA(16:0/0:0)	CCCCCCCCCCCCCCCC(=O)OCC1COP(O)(=O)O1	InChI=1S/C19H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)23-16-18-17-24-26(21,22)25-18/h18H,2-17H2,1H3,(H,21,22)
HMDB07002	CDP-DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11,13,17-19,21-23,26,28,32,34,39-40,44-45,49-51,58-59H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t44-,45-,49+,50?,51-/m1/s1
HMDB54423	TG(22:2(13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31,33,38,40,46,49,60H,4-15,18,22-23,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,40-38-,49-46-
HMDB54422	TG(22:2(13Z,16Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31,33,38,40,60H,4-15,18,22-23,29-30,32,34-37,39,41-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,40-38-
HMDB54421	TG(22:2(13Z,16Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,60H,4-15,18,22-23,29-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-
HMDB54420	TG(22:2(13Z,16Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,55H,4-14,17,20-23,25,27-54H2,1-3H3/b18-15-,19-16-,26-24-
HMDB54427	TG(22:2(13Z,16Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33,36,41,44,58H,4-7,9-10,12-15,18,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-
HMDB54426	TG(22:2(13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33,36,58H,4-7,9-10,12-15,18,22-23,29-32,34-35,37-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB54425	TG(22:2(13Z,16Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,36,39,56H,4-7,9-10,12-15,18,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-,39-36-
HMDB54424	TG(22:2(13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,56H,4-7,9-10,12-15,18,22-23,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-
HMDB42200	TG(14:0/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,38,41,54H,4-15,17-18,20-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,26-24-,32-30-,41-38-
HMDB54429	TG(22:2(13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,18,22-23,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,40-38-,49-46-
HMDB54428	TG(22:2(13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31,33,38,40,60H,4-6,8-9,11-15,18,22-23,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,40-38-
HMDB59298	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)83-103-90(95)77-73-69-65-61-57-53-50-47-44-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,43-44,46-48,51-53,55-57,63-65,67-69,86-88,93H,5-20,24,29-31,36,41-42,45,49-50,54,58-62,66,70-85H2,1-4H3,(H,98,99)(H,100,101)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,55-51-,56-52-,57-53-,67-63-,68-64-,69-65-/t86?,87-,88-/m1/s1
HMDB59248	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-56,58,63,67,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,57,59-62,64-66,68-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-/t85?,86-,87-/m1/s1
HMDB58935	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,69,73,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-54,58,62-68,70-72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,73-69-/t88?,89-,90-/m1/s1
HMDB58934	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-54,58,62-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-/t88?,89-,90-/m1/s1
HMDB58937	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67,69,71,73,88-90,95H,5-8,11-12,15-20,24,29-31,36,41-43,51-54,58,62-66,68,70,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB58936	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,68,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB58931	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-/t85?,86-,87-/m1/s1
HMDB58930	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB42201	TG(14:0/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3/b19-16-,26-24-
HMDB58932	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,66,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-65,67-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-/t86?,87-,88-/m1/s1
HMDB47859	TG(14:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,36,39,58H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,39-36-
HMDB58939	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67,69,71,73,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-54,58,62-66,68,70,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB58938	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67,71,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-54,58,62-66,68-70,72-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-/t88?,89-,90-/m1/s1
HMDB12638	20-hydroxy-E4-neuroprostane	CCC(O)\C=C\C1C(O)CC(=O)C1C\C=C/C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+
HMDB12639	20-Hydroxy-leukotriene E4	NC(CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCCO)[C@@H](O)CCCC(O)=O)C(O)=O	InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19?,20-,21+/m0/s1
HMDB00079	Dihydrothymine	CC1CNC(=O)NC1=O	InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
HMDB12631	20-CoA-20-oxo-18R-hydroxyleucotriene B4	O[C@@H](CC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C41H64N7O22P3S/c1-41(2,23-67-73(64,65)70-72(62,63)66-22-29-35(69-71(59,60)61)34(56)40(68-29)48-25-47-33-37(42)45-24-46-38(33)48)36(57)39(58)44-18-17-30(52)43-19-20-74-32(55)21-28(51)14-9-5-8-13-26(49)11-6-3-4-7-12-27(50)15-10-16-31(53)54/h3-8,11-12,24-29,34-36,40,49-51,56-57H,9-10,13-23H2,1-2H3,(H,43,52)(H,44,58)(H,53,54)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-4/b4-3+,8-5-,11-6+,12-7-/t26-,27+,28+,29-,34+,35+,36?,40-/m1/s1
HMDB12632	20-CoA-20-oxo-leukotriene B4	O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C41H64N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-10,14-15,25-29,34-36,40,49-50,55-56H,3,5,11-13,16-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/p-4/b7-6+,8-4-,14-9+,15-10-/t27-,28-,29+,34-,35-,36?,40+/m0/s1
HMDB12633	20-COOH-10,11-dihydro-LTB4	O[C@H](CC\C=C\C=C/[C@H](O)CCCC(O)=O)C\C=C/CCCCC(O)=O	InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-18,21-22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1
HMDB12634	20-COOH-leukotriene E4	N[C@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O	InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/b4-2-,5-3-,8-6+,14-10+/t18-,19+,20-/m1/s1
HMDB12635	20-dihydroxyleukotriene B4	OC(O)CCCC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O	InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-19,21-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m0/s1
HMDB47855	TG(14:1(9Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-
HMDB42202	TG(14:0/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,34,37,56H,4-15,17-18,20-23,25,27-28,30,32-33,35-36,38-55H2,1-3H3/b19-16-,26-24-,31-29-,37-34-
HMDB47853	TG(14:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,36,39,58H,4-14,17,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,39-36-
HMDB42203	TG(14:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,34,37,43,46,56H,4-15,17-18,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,31-29-,37-34-,46-43-
HMDB52886	TG(18:3(6Z,9Z,12Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,53H,4-16,18-19,21-25,27,29-32,34-35,37-52H2,1-3H3/b20-17-,28-26-,36-33-
HMDB31143	Glycerol 1-eicosanoate 2-(9Z-octadecenoate) 3-octadecanoate	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h27,31,56H,4-26,28-30,32-55H2,1-3H3/b31-27+
HMDB48703	TG(16:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,33,36,42,45,58H,4-20,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b24-21-,27-25-,28-26-,36-33-,45-42-
HMDB48702	TG(16:1(9Z)/22:1(13Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,58H,4-20,22-23,29-57H2,1-3H3/b24-21-,27-25-,28-26-
HMDB48701	TG(16:1(9Z)/22:1(13Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h21,24-27,31,56H,4-20,22-23,28-30,32-55H2,1-3H3/b24-21-,27-25-,31-26-
HMDB48700	TG(16:1(9Z)/22:1(13Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,56H,4-19,22,26,28-55H2,1-3H3/b23-20-,24-21-,27-25-
HMDB48707	TG(16:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,37,40,56H,4-16,18-19,22-23,28-30,32-36,38-39,41-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-,40-37-
HMDB48706	TG(16:1(9Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,32,57H,4-19,22,26,29-31,33-56H2,1-3H3/b23-20-,24-21-,27-25-,32-28-
HMDB48705	TG(16:1(9Z)/22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,62H,4-20,22-23,29-61H2,1-3H3/b24-21-,27-25-,28-26-
HMDB48704	TG(16:1(9Z)/22:1(13Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-
HMDB48709	TG(16:1(9Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,58H,4-16,18-19,22-23,29-32,34-35,37-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-
HMDB48708	TG(16:1(9Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,57H,4-13,15-16,18-20,22,28-56H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB06842	5a-Cholesta-7,24-dien-3b-ol	[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25?,26+,27-/m1/s1
HMDB06840	4,4-Dimethyl-5a-cholesta-8-en-3b-ol	[H][C@@](C)(CCCC(C)C)[C@@]1([H])CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3	InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23?,25+,26+,28-,29-/m1/s1
HMDB06841	5a-Cholest-8-en-3b-ol	[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
HMDB06846	24-Methylenelophenol	[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C	InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,26+,27+,28-,29+/m1/s1
HMDB06847	Episterol	[H][C@@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26?,27+,28-/m1/s1
HMDB49074	TG(18:1(11Z)/14:0/20:1(11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,52H,4-19,21-22,25,27-51H2,1-3H3/b23-20-,26-24-
HMDB06845	4a-Methylfecosterol	[H][C@@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3	InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1
HMDB06848	5-Dehydroepisterol	[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1
HMDB06849	24-Methylenecholesterol	[H][C@@]1(CC[C@@]2([H])C3CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)CCC(=C)C(C)C	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22-,23?,24+,25-,26-,27-,28+/m0/s1
HMDB59293	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,41-46,49-50,53-54,61-62,65-66,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB59292	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-44,46,49-50,53-54,61-62,65-66,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,45,47-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB54539	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB55840	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,40-45,49,52,64H,4-6,9,12-15,18,21-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB52968	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35-37,39,56H,4-6,8-9,11-15,18,22-23,28,32-34,38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-
HMDB52969	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35-37,39,43,46,56H,4-6,8-9,11-15,18,22-23,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-
HMDB52964	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,33,36,52H,4-6,8-9,11-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB52965	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,32-33,35-36,52H,4-6,8-9,11-15,18,22-23,29-31,34,37-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,35-32-,36-33-
HMDB52966	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33-34,37,54H,4-6,8-9,11-15,18,22-23,28,31-32,35-36,38-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-
HMDB52967	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33-34,37-38,41,54H,4-6,8-9,11-15,18,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB52960	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33-34,37-38,41,54H,4-15,18,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB52961	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,31,36,39,56H,4-15,18,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,31-26-,39-36-
HMDB52962	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,35-37,39,56H,4-15,18,22-23,28,32-34,38,40-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-
HMDB52963	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,35-37,39,43,46,56H,4-15,18,22-23,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-
HMDB57303	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57302	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57301	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57300	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,48,52-54,57-58,60,64-65,69,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47,49-51,55-56,59,61-63,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-,69-65-/t85?,86-,87-/m1/s1
HMDB57307	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB57306	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB57305	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57304	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57309	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-67,70-71,87-89,94H,5-10,12-14,16-20,24,28-32,36,40-42,49-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB57308	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-20,24,28-32,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB43474	TG(15:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,34,37,43,46,56H,4-13,15,18,20-22,24,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,37-34-,46-43-
HMDB05399	TG(18:0/20:0/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3/t58-/m1/s1
HMDB05398	TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,40,43,56H,4-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,34-32-,43-40-/t56-/m1/s1
HMDB05397	TG(18:0/18:0/18:2(9Z,12Z))[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,54H,4-15,17-18,20-24,26-27,29-53H2,1-3H3/b19-16-,28-25-/t54-/m0/s1
HMDB05396	TG(18:0/18:0/20:1(11Z))[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,28,56H,4-24,26-27,29-55H2,1-3H3/b28-25-/t56-/m1/s1
HMDB05395	TG(18:0/18:0/18:1(9Z))[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,54H,4-24,26-27,29-53H2,1-3H3/b28-25-/t54-/m0/s1
HMDB05394	TG(18:0/18:0/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m1/s1
HMDB05393	TG(18:0/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB05392	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m1/s1
HMDB05391	TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,38,41,54H,4-15,18,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,41-38-/t54-/m1/s1
HMDB05390	TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t52-/m1/s1
HMDB43477	TG(15:0/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31-32,54H,4-6,8-9,11-13,15,18,20-22,24,28-30,33-53H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,32-31-
HMDB43470	TG(15:0/20:2n6/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31-32,54H,4-13,15,18,20-22,24,28-30,33-53H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,32-31-
HMDB43471	TG(15:0/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31-32,38,41,54H,4-13,15,18,20-22,24,28-30,33-37,39-40,42-53H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,32-31-,41-38-
HMDB59297	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,43-48,51-52,55-56,63-64,67-68,85-87,92H,5-20,23-24,29-30,35-36,41-42,49-50,53-54,57-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,55-51-,56-52-,67-63-,68-64-/t86-,87-/m1/s1
HMDB43472	TG(15:0/20:2n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,56H,4-13,15,18,20-22,24,28-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-
HMDB43473	TG(15:0/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,34,37,56H,4-13,15,18,20-22,24,28-29,32-33,35-36,38-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,37-34-
HMDB59296	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-9,12-13,16-20,24,28-32,40-42,50-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB43478	TG(15:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31-32,38,41,54H,4-6,8-9,11-13,15,18,20-22,24,28-30,33-37,39-40,42-53H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,32-31-,41-38-
HMDB43857	TG(16:0/15:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3
HMDB43479	TG(15:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,34,37,56H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-33,35-36,38-55H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,37-34-
HMDB10098	PIP2(18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h11,13,17-18,35,38-43,46-48H,3-10,12,14-16,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b13-11-,18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10099	PIP2(18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17,19,37,40-45,48-50H,3-10,12,14-16,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10092	PIP2(18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h6,8,12,14,17-20,37,40-45,48-50H,3-5,7,9-11,13,15-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b8-6-,14-12-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10093	PIP2(18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-19,21,39,42-47,50-52H,3-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10090	PIP2(18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12,14,17-20,37,40-45,48-50H,3-11,13,15-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10091	PIP2(18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12,14,17-20,24,26,37,40-45,48-50H,3-11,13,15-16,21-23,25,27-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,19-17-,20-18-,26-24-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10096	PIP2(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-19,21-22,24,28,30,39,42-47,50-52H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10097	PIP2(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-19,21-22,24,39,42-47,50-52H,3-4,6,8-10,12,14-16,20,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10094	PIP2(18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-19,21-22,24,28,30,39,42-47,50-52H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10095	PIP2(18:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-19,21-22,24,39,42-47,50-52H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB59295	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,69-70,87-89,94H,5-9,12-13,16-20,24,28-32,40-42,50-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB07829	DG(24:1(15Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,30,32,43,46H,3-11,13,15-16,20-24,26-29,31,33-42H2,1-2H3/b14-12-,19-17-,25-18-,32-30-/t43-/m0/s1
HMDB07828	DG(24:1(15Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,43,46H,3-11,13,15-16,20-24,26-42H2,1-2H3/b14-12-,19-17-,25-18-/t43-/m0/s1
HMDB07823	DG(24:1(15Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h17-18,41,44H,3-16,19-40H2,1-2H3/b18-17-/t41-/m0/s1
HMDB07822	DG(24:1(15Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-41(44)46-39-40(38-43)47-42(45)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h17-18,40,43H,3-16,19-39H2,1-2H3/b18-17-/t40-/m0/s1
HMDB07821	DG(24:1(15Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,16-17,39,42H,3-9,11,13-15,18-38H2,1-2H3/b12-10-,17-16-/t39-/m0/s1
HMDB07820	DG(24:1(15Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-25-14-12-10-8-6-4-2/h16-17,39,42H,3-15,18-38H2,1-2H3/b17-16-/t39-/m0/s1
HMDB07827	DG(24:1(15Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h17-19,25,43,46H,3-16,20-24,26-42H2,1-2H3/b19-17-,25-18-/t43-/m0/s1
HMDB07826	DG(24:1(15Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,43,46H,3-13,15,18,20-42H2,1-2H3/b16-14-,19-17-/t43-/m0/s1
HMDB07825	DG(24:1(15Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-/t43-/m0/s1
HMDB07824	DG(24:1(15Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16-18,41,44H,3-13,15,19-40H2,1-2H3/b16-14-,18-17-/t41-/m0/s1
HMDB55841	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,9,12-15,18,21-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB59294	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-9,11-13,15-20,24,28-32,40-42,50-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB43855	TG(16:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,34,39,42,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,34-31-,42-39-
HMDB54478	TG(22:2(13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,37,43,46,66H,4-6,8-9,11-15,18,21-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB57875	CL(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,28-30,32,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57874	CL(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,39-40,43,50,54,75-77,82H,5-20,22-24,27-29,31-32,34,37-38,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,36-33-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57877	CL(18:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,28-29,32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57876	CL(18:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37-38,44,46,54,58,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB57871	CL(18:1(11Z)/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB57870	CL(18:1(11Z)/16:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,38-39,74-76,81H,5-24,27-28,31-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB57873	CL(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,40,43,50,54,75-77,82H,5-20,22-24,28-29,32,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57872	CL(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,38,42,48,52,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,42-38-,52-48-/t73?,74-,75-/m1/s1
HMDB54479	TG(22:2(13Z,16Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,18,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB57879	CL(18:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,28-30,32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57878	CL(18:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,41,45,48,56,60,77-79,84H,5-20,22-24,27-29,31-32,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB02374	Avenasterol	C\C=C(\CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
HMDB02375	Chicoric acid	OC(=O)[C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)[C@@H](C(O)=O)OC(=O)\C=C\C1=CC(O)=C(O)C=C1	InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1
HMDB02376	Tricrocin	C\C(\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)OC1O[C@@H](COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22?,23?,24-,25?,26?,27?,28?,29?,30?,31?,32?,33?,36?,37?,38?/m0/s1
HMDB02377	Urothion	CSC1=C(SC2=C1N=C1C(=O)N=C(N)NC1=N2)C(O)CO	InChI=1S/C11H11N5O3S2/c1-20-7-4-10(21-6(7)3(18)2-17)14-8-5(13-4)9(19)16-11(12)15-8/h3,17-18H,2H2,1H3,(H3,12,14,15,16,19)
HMDB02372	N-Phenylacetylphenylalanine	OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC1=CC=CC=C1	InChI=1S/C17H17NO3/c19-16(12-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m0/s1
HMDB02373	4,6-Dimethylnonanoic acid	CC(C)CCCC(C)CCC(O)=O	InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
HMDB02379	Mesoporphyrin IX	CCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C	InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
HMDB38102	(R)-Hispaglabridin A	CC(C)=CCC1=C(O)C=CC(C2COC3=C4C=CC(C)(C)OC4=CC=C3C2)=C1O	InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3
HMDB38103	(R)-Hispaglabridin B	CC1(C)OC2=CC=C(C3COC4=C5C=CC(C)(C)OC5=CC=C4C3)C(O)=C2C=C1	InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3
HMDB38100	Petunidin 3-(6''-p-coumaryl-glucoside) 5-glucoside	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C37H38O19/c1-50-23-9-16(8-20(41)28(23)43)35-24(12-19-21(52-35)10-18(40)11-22(19)53-36-33(48)31(46)29(44)25(13-38)55-36)54-37-34(49)32(47)30(45)26(56-37)14-51-27(42)7-4-15-2-5-17(39)6-3-15/h2-12,25-26,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43)/p+1
HMDB38101	5'-Methoxybilobetin	COC1=C(OC)C(=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1	InChI=1S/C32H22O11/c1-40-27-8-15(25-12-22(38)29-19(35)9-17(34)10-26(29)42-25)7-18(31(27)41-2)28-20(36)11-21(37)30-23(39)13-24(43-32(28)30)14-3-5-16(33)6-4-14/h3-13,33-37H,1-2H3
HMDB38106	Cycloviolaxanthin	C/C(/C=C/C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(43-39)27-37(39,9)41)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(44-40)28-38(40,10)42/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21+,24-22+,29-15+,30-16-,31-19+,32-20-
HMDB38107	Quinceoxepine	CC(=C)\C=C/C1CC(C)=CCCO1	InChI=1S/C12H18O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h5-7,12H,1,4,8-9H2,2-3H3/b7-6-
HMDB30308	O-Isopentenylhalfordinol	CC(C)=CCOC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=CN=C1	InChI=1S/C19H18N2O2/c1-14(2)9-11-22-17-7-5-15(6-8-17)18-13-21-19(23-18)16-4-3-10-20-12-16/h3-10,12-13H,11H2,1-2H3
HMDB30309	2,6,7-Trimethyldecane	CCCC(C)C(C)CCCC(C)C	InChI=1S/C13H28/c1-6-8-12(4)13(5)10-7-9-11(2)3/h11-13H,6-10H2,1-5H3
HMDB38104	Isolinderenolide	CCCC\C=C/CCCCCCCCC\C=C1\C(O)C(=C)OC1=O	InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h6-7,17,20,22H,2-5,8-16H2,1H3/b7-6-,19-17-
HMDB55252	TG(18:3(9Z,12Z,15Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-
HMDB30300	3-Methyltetradecane	CCCCCCCCCCCC(C)CC	InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3
HMDB30301	2,2,3,4-Tetramethylpentane	CC(C)C(C)C(C)(C)C	InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
HMDB30302	2,3,4-Trimethylhexane	CCC(C)C(C)C(C)C	InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3
HMDB30303	6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane	CCC1OC2(C)OC1CCO2	InChI=1S/C8H14O3/c1-3-6-7-4-5-9-8(2,10-6)11-7/h6-7H,3-5H2,1-2H3
HMDB30304	Atherosperminine	COC1=CC(CCN(C)C)=C2C=CC3=C(C=CC=C3)C2=C1OC	InChI=1S/C20H23NO2/c1-21(2)12-11-15-13-18(22-3)20(23-4)19-16-8-6-5-7-14(16)9-10-17(15)19/h5-10,13H,11-12H2,1-4H3
HMDB30305	Dioscorine	CN1CC2CCC1CC21CC(C)=CC(=O)O1	InChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3
HMDB30306	3,3,4-Trimethyldecane	CCCCCCC(C)C(C)(C)CC	InChI=1S/C13H28/c1-6-8-9-10-11-12(3)13(4,5)7-2/h12H,6-11H2,1-5H3
HMDB30307	2,6,8-Trimethyldecane	CCC(C)CC(C)CCCC(C)C	InChI=1S/C13H28/c1-6-12(4)10-13(5)9-7-8-11(2)3/h11-13H,6-10H2,1-5H3
HMDB43916	TG(16:0/18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB51095	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-15,17-18,20-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB51094	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-15,17-18,20-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB51097	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-34,36-38,41-43,45-46,58H,4-8,10-11,13-17,19-20,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB51096	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-34,36-37,42-43,45-46,58H,4-8,10-11,13-17,19-20,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB51091	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34-39,44-45,47-48,60H,4-15,17-18,20-24,31-33,40-43,46,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB51090	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,34-35,37-38,43-44,46-47,59H,4-14,16-17,19-23,30-33,36,39-42,45,48-58H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB51093	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,36,38-39,41,45,47-48,50,62H,4-15,17-18,20-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB51092	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34-39,43-48,60H,4-15,17-18,20-24,31-33,40-42,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB51099	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34-39,43-48,60H,4-6,8-9,11-15,17-18,20-24,31-33,40-42,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB51098	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34-39,44-45,47-48,60H,4-6,8-9,11-15,17-18,20-24,31-33,40-43,46,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB02950	(3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/[C@@H]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t35-,36+,37+/m0/s1
HMDB51329	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-8,10-11,13-15,17,20,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB51328	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,32,35-36,38-41,43,45,48,62H,4-8,10-11,13-15,17,20,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB51323	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,32-34,36-38,41-42,45,58H,4-7,9-10,12-16,19,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB51322	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,33-35,37-38,43,46,59H,4-7,9-10,12-16,18-19,22-23,27,31-32,36,39-42,44-45,47-58H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-
HMDB51321	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,40-41,43,47,50,64H,4-8,10-11,13-17,19-20,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB51320	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,38-39,41,45,48,62H,4-8,10-11,13-17,19-20,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB51327	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,36,38-39,41,45,48,62H,4-8,10-11,13-15,17,20,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB51326	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34-39,43-44,46-47,60H,4-8,10-11,13-15,17,20,22-24,31-33,40-42,45,48-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB51325	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34-39,44,47,60H,4-8,10-11,13-15,17,20,22-24,31-33,40-43,45-46,48-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-
HMDB51324	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,34-35,37-38,43,46,59H,4-7,9-10,12-14,16,19,21-23,30-33,36,39-42,44-45,47-58H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB41339	5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole	CC(C)(C)C1=CC(N2N=C3C=CC(Cl)=CC3=N2)=C(O)C(=C1)C(C)(C)C	InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3
HMDB55439	TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,40,42-43,45,49,52,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB55438	TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,40,42-43,45,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-
HMDB03023	Prephytoene diphosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\[C@@H]1[C@@H](COP(=O)(O)OP(O)(O)=O)[C@]1(C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1
HMDB03020	Neoxanthin	O[C@@H]1C[C@@]2(C)O[C@@]2(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C=C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C1	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1
HMDB55433	TG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB55432	TG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,36,38-41,43,45,48,60H,4-6,8,11,13-15,17,20,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB55431	TG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-34,36-38,41-43,45-46,58H,4-6,8,11,13-15,17,20,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB55430	TG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-34,36-38,41,43,46,58H,4-6,8,11,13-15,17,20,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB55437	TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,38,40,43-44,47,60H,4-7,10,13-16,19,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB46109	TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32-33,35,40-41,43-44,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-
HMDB55435	TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,32-33,38-39,41-42,58H,4-7,10,13-16,19,22-24,29-31,34-37,40,43-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-
HMDB55434	TG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,35,37,40-41,44,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB46108	TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32,40,43,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,33-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,43-40-
HMDB46103	TG(20:0/18:4(6Z,9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,44,47,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,36-27-,47-44-
HMDB46102	TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,42,45,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,34-27-,45-42-
HMDB46101	TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,32,40,43,58H,4-8,10-11,13-17,19-20,22-26,28-31,33-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,32-27-,43-40-
HMDB46100	TG(20:0/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-56H2,1-3H3/b12-9-,21-18-,31-27-
HMDB41335	8-Heptadecenal	CCCCCCCC\C=C\CCCCCCC=O	InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10,17H,2-8,11-16H2,1H3/b10-9+
HMDB41334	8,11-Heptadecadienal	CCCCC\C=C/C\C=C\CCCCCCC=O	InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6-,10-9+
HMDB54391	TG(22:2(13Z,16Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,66H,4-15,18,21-24,27,30-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-
HMDB55793	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-30,32,35-37,39-41,44-46,48-49,62H,4-6,13-15,22-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB46105	TG(20:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,36,39,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-36-
HMDB46104	TG(20:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,34,37,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-,37-34-
HMDB47278	TG(24:0/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,37,63H,4-20,22-23,25,27-28,31-36,38-62H2,1-3H3/b24-21-,29-26-,37-30-
HMDB47279	TG(24:0/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,42,45,62H,4-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,29-26-,36-27-,45-42-
HMDB34068	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 6''-(3,4,5-Trihydroxybenzoyl), 2''-(p-hydroxybenzoyl)	OC1C(O)C(OC(=O)C2=CC=C(O)C=C2)C(OC1COC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C(O)C(C(=O)C2=CC=C(O)C(O)=C2)=C1O	InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)33(47)50-31-29(45)27(43)22(11-48-32(46)14-8-20(39)26(42)21(40)9-14)49-30(31)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2
HMDB31952	1-(5-Methyl-3-pyridinyl)-1-decanone	CCCCCCCCCC(=O)C1=CC(C)=CN=C1	InChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-10-16(18)15-11-14(2)12-17-13-15/h11-13H,3-10H2,1-2H3
HMDB31953	3,5-Dihydroxyergosta-7,22-dien-6-one	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-24,29,31H,9-14,16H2,1-6H3/b8-7+
HMDB31950	L-2-Aminoethyl seryl phosphate	NCCOP(O)(=O)OCC(N)C(O)=O	InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)
HMDB31951	28-Methyl-27-nonacosenoic acid	CC(C)=CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C30H58O2/c1-29(2)27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30(31)32/h27H,3-26,28H2,1-2H3,(H,31,32)
HMDB31956	3-Methyl-2-buten-1-ol; O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]	CC(C)=CCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h3,9-15,17-22H,4-7H2,1-2H3
HMDB31957	3-Epicycloeucalenol	CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C	InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3
HMDB31954	3-Methyl-3-buten-1-ol; O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]	CC(=C)CCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h9-15,17-22H,1,3-7H2,2H3
HMDB31955	2-Carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetic acid; (1R*,2R*,3R*)-form, Di-Me ester	COC(=O)CC1C(C(C2=C1C=C(O)C(O)=C2)C1=CC=C(O)C(O)=C1)C(=O)OC	InChI=1S/C20H20O8/c1-27-17(25)8-12-10-6-15(23)16(24)7-11(10)18(19(12)20(26)28-2)9-3-4-13(21)14(22)5-9/h3-7,12,18-19,21-24H,8H2,1-2H3
HMDB50052	TG(18:1(9Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31-33,37,40,59H,4-13,15,18,20-22,24,29-30,34-36,38-39,41-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,40-37-
HMDB50053	TG(18:1(9Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31-33,37,40,46,49,59H,4-13,15,18,20-22,24,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB31958	3-O-Acetylepisamarcandin	CC(=O)OC1CCC2(C)C(COC3=CC=C4C=CC(=O)OC4=C3)C(C)(O)CCC2C1(C)C	InChI=1S/C26H34O6/c1-16(27)31-22-11-12-25(4)20(24(22,2)3)10-13-26(5,29)21(25)15-30-18-8-6-17-7-9-23(28)32-19(17)14-18/h6-9,14,20-22,29H,10-13,15H2,1-5H3
HMDB31959	Lablaboside D	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C3O)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C60H94O28/c1-25-35(66)38(69)43(74)49(81-25)86-46-40(71)36(67)28(22-61)82-51(46)87-47-42(73)41(72)45(48(76)77)85-52(47)84-32-12-13-56(5)30(57(32,6)24-62)11-14-59(8)31(56)10-9-26-27-19-54(2,3)15-17-60(27,18-16-58(26,59)7)53(78)88-50-44(75)39(70)37(68)29(83-50)23-80-34(65)21-55(4,79)20-33(63)64/h9,25,27-32,35-47,49-52,61-62,66-75,79H,10-24H2,1-8H3,(H,63,64)(H,76,77)
HMDB50056	TG(18:1(9Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31,33,35,57H,4-6,8-9,11-13,15,18,20-22,24,29-30,32,34,36-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,31-27-,35-33-
HMDB49001	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,35,38-39,42,54H,4-6,9,12-15,18,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB50054	TG(18:1(9Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,13,16-17,20,22,25-27,29-30,55H,4-7,9-10,12,14-15,18-19,21,23-24,28,31-54H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,29-26-,30-27-
HMDB50055	TG(18:1(9Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,13,16-17,20,22,25-27,29-30,35,38,55H,4-7,9-10,12,14-15,18-19,21,23-24,28,31-34,36-37,39-54H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,29-26-,30-27-,38-35-
HMDB31013	Catelaidic acid	CCCCCCCCCC\C=C\CCCCCCCCCC(O)=O	InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11+
HMDB54748	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,40-45,49,52,64H,4-15,18,21-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB54749	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-15,18,21-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB34064	2,9-Dihydroxy-4,10(14)-oplopadien-3-one; (2b,4Z,9a)-form, 9-(3-Methyl-2E-pentenoyl), 2-angeloyl	CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(C(OC(=O)C(\C)=C/C)C(=O)\C2=C/C)C1=C	InChI=1S/C26H36O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h10-12,14,19-20,22-23,25H,8-9,13H2,1-7H3/b15-12+,16-10-,18-11-
HMDB54742	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,40-41,43,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39,42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-
HMDB54743	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,39-40,43,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,41-42,44-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-
HMDB54740	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,41-42,44-45,50,53,64H,4-15,18,21-24,31-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-
HMDB54741	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-
HMDB54746	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,41-42,44-45,50,53,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-
HMDB34067	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 2''-(3,4,5-Trihydroxybenzoyl), 6''-(4-hydroxybenzoyl)	OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC1COC(=O)C1=CC=C(O)C=C1)C1=C(O)C=C(O)C(C(=O)C2=CC=C(O)C(O)=C2)=C1O	InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)32(46)48-11-22-27(43)29(45)31(50-33(47)14-8-20(39)26(42)21(40)9-14)30(49-22)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2
HMDB54744	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-
HMDB49006	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,39,42,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,42-39-
HMDB10535	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,9,12-15,18,21-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m1/s1
HMDB08969	PE(16:1(9Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,41H,3-10,12,15,19,22-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-/t41-/m1/s1
HMDB08968	PE(16:1(9Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,26,28,39H,3-13,15,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b16-14-,18-17-,22-20-,28-26-/t39-/m1/s1
HMDB42008	ritalinic acid	OC(=O)C(C1CCCCN1)C1=CC=CC=C1	InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
HMDB10534	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-6,9,12-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m1/s1
HMDB08963	PE(16:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37H,3-4,6,8-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-/t37-/m1/s1
HMDB08962	PE(16:1(9Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,22,24,37H,3-10,12,15,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-,24-22-/t37-/m1/s1
HMDB08961	PE(16:1(9Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37H,3-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-/t37-/m1/s1
HMDB08960	PE(16:1(9Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37H,3-13,15,19-36,40H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m1/s1
HMDB08967	PE(16:1(9Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,39H,3-10,12,15,19-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t39-/m1/s1
HMDB08966	PE(16:1(9Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,39H,3-13,15,19-38,42H2,1-2H3,(H,45,46)/b16-14-,18-17-/t39-/m1/s1
HMDB08965	PE(16:1(9Z)/20:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38,42H2,1-2H3,(H,45,46)/b16-14-/t39-/m1/s1
HMDB08964	PE(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,22,24,37H,3-4,6,8-10,12,15,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-,24-22-/t37-/m1/s1
HMDB10536	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,41-42,44-45,58H,4-6,9,12-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB31015	2,6-Dodecadienoic acid; (2E,6Z)-form, Et ester	CCCCC\C=C/CC\C=C\C(=O)OCC	InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8-,13-12+
HMDB46938	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-16,18-19,21-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB46939	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,45,48,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-,48-45-
HMDB46936	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,33,35-36,41,44,62H,4-7,9-10,12-16,18-19,21-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,29-26-,35-33-,36-27-,44-41-
HMDB10531	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))[iso3]	[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-37,42-43,45-46,58H,4-8,10-11,13-15,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m0/s1
HMDB46934	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,34,39,42,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,34-32-,42-39-
HMDB34062	Protodioscin	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3
HMDB46932	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,30-27-,41-37-,50-47-
HMDB46933	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,37,40,58H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-,40-37-
HMDB46930	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-
HMDB10530	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-33-36-38-41-44-47-50-53-56-62(64)67-60-61(68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)59-66-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-35,37-38,41,43,46-47,50,61H,4-6,8-9,11-15,22-24,30-31,36,39-40,42,44-45,48-49,51-60H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,35-27-,37-34-,41-38-,46-43-,50-47-/t61-/m1/s1
HMDB49008	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,35,38,56H,4-6,8-9,11-15,17-18,22,26,28,31-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,38-35-
HMDB10533	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,41-42,44-45,58H,4-6,9,12-15,18,21-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB10532	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-/t62-/m1/s1
HMDB54269	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,40,43,56H,4-7,10,13-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-
HMDB29153	Gamma-glutamyl-Leucine	CC(C)CC(N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C11H21N3O4/c1-6(2)5-7(12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)
HMDB29152	Gamma-glutamyl-Isoleucine	CCC(C)C(N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)
HMDB29151	Gamma-glutamyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C11H17N5O4/c12-7(3-6-4-14-5-15-6)10(18)16-8(11(19)20)1-2-9(13)17/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)
HMDB29150	Gamma-glutamyl-Hydroxyproline	OC1CNC(C1)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C10H17N3O5/c11-8(15)2-1-6(10(17)18)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4H2,(H2,11,15)(H,13,16)(H,17,18)
HMDB29157	Gamma-glutamyl-Proline	OC(=N)CCC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)
HMDB29156	Gamma-glutamyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C14H19N3O4/c15-10(8-9-4-2-1-3-5-9)13(19)17-11(14(20)21)6-7-12(16)18/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)
HMDB29155	Gamma-glutamyl-Methionine	CSCCC(N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-7(10(16)17)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB29154	Gamma-glutamyl-Lysine	NCCCCC(N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)
HMDB54390	TG(22:2(13Z,16Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,61H,4-15,17-18,20-24,26-27,29-60H2,1-3H3/b19-16-,28-25-
HMDB29159	Gamma-glutamyl-Threonine	CC(O)C(N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C9H17N3O5/c1-4(13)7(11)8(15)12-5(9(16)17)2-3-6(10)14/h4-5,7,13H,2-3,11H2,1H3,(H2,10,14)(H,12,15)(H,16,17)
HMDB29158	Gamma-glutamyl-Serine	NC(CO)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C8H15N3O5/c9-4(3-12)7(14)11-5(8(15)16)1-2-6(10)13/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)
HMDB01379	Diguanosine triphosphate	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O	InChI=1S/C20H27N10O18P3/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(45-17)1-43-49(37,38)47-51(41,42)48-50(39,40)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
HMDB32211	Decanal propyleneglycol acetal	CCCCCCCCCC1OCC(C)O1	InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-13H,3-11H2,1-2H3
HMDB32212	3-Decanone	CCCCCCCC(=O)CC	InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3
HMDB32213	2-trans-4-trans-7-cis-Decatrienal	CC\C=C/C\C=C\C=C\C=O	InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3-,7-6+,9-8+
HMDB32214	cis-4-Decenyl acetate	CCCCC\C=C/CCCOC(C)=O	InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h7-8H,3-6,9-11H2,1-2H3/b8-7-
HMDB32215	2-Decylfuran	CCCCCCCCCCC1=CC=CO1	InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15-14/h10,12-13H,2-9,11H2,1H3
HMDB32216	Diethylenetriamine crosslinked with epichlorohydrin	CC(CN(C)C)C(C)(O)CC1=CC=C(Cl)C=C1	InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3
HMDB32217	2,4-Difurfurylfuran	C(C1=CC=CO1)C1=CC(CC2=CC=CO2)=CO1	InChI=1S/C14H12O3/c1-3-12(15-5-1)7-11-8-14(17-10-11)9-13-4-2-6-16-13/h1-6,8,10H,7,9H2
HMDB01371	Nitrogen	N#N	InChI=1S/N2/c1-2
HMDB01370	Diaminopimelic acid	N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
HMDB01373	Dephospho-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS	InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16?,20-/m1/s1
HMDB01372	Thiamine pyrophosphate	CC1=C(CCO[P@](O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N	InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
HMDB01375	3-Hydroxy-3-methylglutaryl-CoA	C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21?,25-,27+/m1/s1
HMDB01374	Choloyl-CoA	[H][C@@]12CCC(C(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C3N=CN=C4N)C1(C)[C@@H](O)C[C@@]1([H])C2[C@H](O)CC2C[C@H](O)CCC12C	InChI=1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t23?,24?,25-,26?,27+,28+,29-,30-,31+,34?,36-,37-,38?,42-,44?,45?/m1/s1
HMDB01377	Oxygen	O=O	InChI=1S/O2/c1-2
HMDB01376	2-Keto-3-deoxy-6-phosphogluconic acid	O[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O	InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1
HMDB40699	Feruperine	COC1=CC(\C=C/C=C/C(=O)N2CCCCC2)=CC=C1O	InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3-,8-4+
HMDB40698	Murrayanol	COC1=CC2=C(C=C1C)C1=C(N2)C(C\C=C(/C)CCC=C(C)C)=C(O)C=C1	InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-22(26)12-11-18-20-13-17(4)23(27-5)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+
HMDB41678	4'-O-Methylequol	[H]OC1=C([H])C([H])=C2C(OC([H])([H])[C@]([H])(C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])C2([H])[H])=C1[H]	InChI=1S/C16H16O3/c1-18-15-6-3-11(4-7-15)13-8-12-2-5-14(17)9-16(12)19-10-13/h2-7,9,13,17H,8,10H2,1H3/t13-/m1/s1
HMDB40691	Vaginidiol; 1''-O-(3-Methylbutanoyl), 3'-O-angeloyl	C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)CC(C)C	InChI=1S/C24H28O7/c1-7-14(4)23(27)30-21-19-16(10-8-15-9-11-17(25)29-20(15)19)28-22(21)24(5,6)31-18(26)12-13(2)3/h7-11,13,21-22H,12H2,1-6H3/b14-7-
HMDB40690	trans-Neochlorogenic acid	[H]OC(=O)C1(O[H])C([H])([H])C([H])(O[H])C([H])(O[H])C([H])(OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C1([H])[H]	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+
HMDB40693	N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine	NC(CCC(=O)NNC1=CC=C(C=C1)C(O)=O)C(O)=O	InChI=1S/C12H15N3O5/c13-9(12(19)20)5-6-10(16)15-14-8-3-1-7(2-4-8)11(17)18/h1-4,9,14H,5-6,13H2,(H,15,16)(H,17,18)(H,19,20)
HMDB40692	4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one; (4R,5R,6S)-form, 6-O-(2-Hydroxy-6-methylbenzoyl)	CC1=C(C(=O)OC2C(O)C(O)C=C(CO)C2=O)C(O)=CC=C1	InChI=1S/C15H16O7/c1-7-3-2-4-9(17)11(7)15(21)22-14-12(19)8(6-16)5-10(18)13(14)20/h2-5,10,13-14,16-18,20H,6H2,1H3
HMDB40695	Lyciumin D	CCC(C)C1NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC1=O)C(O)=O)C1=C2C=CC=C1)C(C)C	InChI=1S/C45H57N9O11/c1-5-24(4)37-42(61)49-31(45(64)65)20-26-22-54(32-10-7-6-9-28(26)32)38(43(62)51-36(23(2)3)41(60)46-21-35(57)50-37)52-39(58)30(19-25-12-14-27(55)15-13-25)48-40(59)33-11-8-18-53(33)44(63)29-16-17-34(56)47-29/h6-7,9-10,12-15,22-24,29-31,33,36-38,55H,5,8,11,16-21H2,1-4H3,(H,46,60)(H,47,56)(H,48,59)(H,49,61)(H,50,57)(H,51,62)(H,52,58)(H,64,65)
HMDB40694	Agaritinal	NC(CCC(=O)NNC1=CC=C(C=O)C=C1)C(O)=O	InChI=1S/C12H15N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,7,10,14H,5-6,13H2,(H,15,17)(H,18,19)
HMDB40697	Oblongine	COC1=C(O)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1	InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1
HMDB40696	Lyciumin C	CC(C)C1NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C1=C2C=CC=C1	InChI=1S/C49H57N9O12/c1-26(2)40-46(66)52-33(21-27-9-4-3-5-10-27)42(62)54-36(25-59)44(64)53-35(49(69)70)23-29-24-58(37-12-7-6-11-31(29)37)41(47(67)55-40)56-43(63)34(22-28-14-16-30(60)17-15-28)51-45(65)38-13-8-20-57(38)48(68)32-18-19-39(61)50-32/h3-7,9-12,14-17,24,26,32-36,38,40-41,59-60H,8,13,18-23,25H2,1-2H3,(H,50,61)(H,51,65)(H,52,66)(H,53,64)(H,54,62)(H,55,67)(H,56,63)(H,69,70)
HMDB56278	DG(24:1n9/0:0/20:4n3)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,45,48H,3-5,7,9-11,13,15-16,21-26,28,30-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,29-27-
HMDB56279	DG(24:1n9/0:0/20:5n3)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,33,35,45,48H,3-5,7,9-11,13,15-16,21-26,28,30-32,34,36-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,29-27-,35-33-
HMDB58733	CL(18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB43351	TG(15:0/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,32,56H,4-19,21-22,24,26,29-31,33-55H2,1-3H3/b23-20-,27-25-,32-28-
HMDB43350	TG(15:0/22:1(13Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,61H,4-24,29-60H2,1-3H3/b27-25-,28-26-
HMDB09618	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,31,33,43H,3-10,12,14-16,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1
HMDB09619	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,31,33,43H,3-10,12,15,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1
HMDB43355	TG(15:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,41,44,57H,4-16,18-19,21-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,44-41-
HMDB43354	TG(15:0/22:1(13Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,57H,4-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-
HMDB43357	TG(15:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,37,40,59H,4-15,17-18,20-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-37-
HMDB43356	TG(15:0/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,59H,4-15,17-18,20-24,29-58H2,1-3H3/b19-16-,27-25-,28-26-
HMDB09612	PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,37,40,44H,3-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB09613	PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,27,29,39H,3-10,12,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1
HMDB09610	PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C45H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB09611	PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,26,28,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB09616	PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,29,31,41H,3-10,12,14-16,19,22-23,26-28,30,32-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-,21-20-,25-24-,31-29-/t41-/m1/s1
HMDB09617	PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,29,31,41H,3-10,12,15,19,22-23,26-28,30,32-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t41-/m1/s1
HMDB09614	PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,27,29,39H,3-9,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1
HMDB09615	PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,28,30,40H,3-10,12,14-16,19,22,24,26-27,29,31-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-,30-28-/t40-/m1/s1
HMDB42443	TG(14:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,33-35,37,41,43-44,46,56H,4-15,17-18,20-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB45862	TG(20:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,38,41,64H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-
HMDB40529	3-Methylbutyl pentanoate	CCCCC(=O)OCCC(C)C	InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
HMDB40528	1,4-Benzodioxin-2(3H)-one	O=C1COC2=CC=CC=C2O1	InChI=1S/C8H6O3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
HMDB40527	1-Hexacosene	CCCCCCCCCCCCCCCCCCCCCCCCC=C	InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3
HMDB40526	3,4,4-Trimethyl-1,2-cyclopentanedione	CC1C(=O)C(=O)CC1(C)C.CC1=C(O)C(=O)CC1(C)C	InChI=1S/2C8H12O2/c2*1-5-7(10)6(9)4-8(5,2)3/h10H,4H2,1-3H3;5H,4H2,1-3H3
HMDB40525	Rosmanol; 11,12-Di-Me ether	COC1=C(C=C2C(O)C3OC(=O)C4(CCCC(C)(C)C34)C2=C1OC)C(C)C	InChI=1S/C22H30O5/c1-11(2)12-10-13-14(17(26-6)16(12)25-5)22-9-7-8-21(3,4)19(22)18(15(13)23)27-20(22)24/h10-11,15,18-19,23H,7-9H2,1-6H3
HMDB40524	Sanguisorbin B	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(O)=O	InChI=1S/C35H56O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19-20,22-29,36-38H,9-18H2,1-7H3,(H,39,40)
HMDB40523	Sanguisorbin E	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(OC(C)=O)C1O	InChI=1S/C43H68O13/c1-21-11-16-43(38(51)56-37-34(50)35(53-23(3)45)32(48)26(19-44)54-37)18-17-41(7)24(30(43)22(21)2)9-10-28-40(6)14-13-29(39(4,5)27(40)12-15-42(28,41)8)55-36-33(49)31(47)25(46)20-52-36/h9,21-22,25-37,44,46-50H,10-20H2,1-8H3
HMDB40522	Dipiperamide E	O=C(\C=C\C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(C1C1=CC=C2OCOC2=C1)C(=O)N1CCCCC1)N1CCCCC1	InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)14-11-25-26(10-7-23-8-12-27-29(19-23)41-21-39-27)33(34(38)36-17-5-2-6-18-36)32(25)24-9-13-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,32-33H,1-6,15-18,21-22H2/b10-7+,14-11+
HMDB40521	Dipiperamide D	O=C(\C=C\C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(\C=C\C2=CC3=C(OCO3)C=C2)C1C(=O)N1CCCCC1)N1CCCCC1	InChI=1S/C36H40N2O6/c39-34(37-17-3-1-4-18-37)16-13-29-27(11-7-25-9-14-30-32(21-25)43-23-41-30)28(35(29)36(40)38-19-5-2-6-20-38)12-8-26-10-15-31-33(22-26)44-24-42-31/h7-16,21-22,27-29,35H,1-6,17-20,23-24H2/b11-7+,12-8+,16-13+
HMDB40520	1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene	CC(C1CCC(C2=CC=CC=C2)C2=CC=CC=C12)C1=CC=CC=C1	InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3
HMDB46200	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39,41,44,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-
HMDB46201	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-
HMDB46202	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB46203	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51,54,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-
HMDB46204	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-
HMDB29267	Kaempferol 3-O-sinapoyl-sophoroside 7-O-glucoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@@]2([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2O1	InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)50)3-8-27(49)62-15-26-32(53)36(57)41(69-43-38(59)35(56)31(52)25(14-46)66-43)44(67-26)68-40-33(54)28-20(48)11-19(63-42-37(58)34(55)30(51)24(13-45)65-42)12-21(28)64-39(40)17-4-6-18(47)7-5-17/h3-12,24-26,30-32,34-38,41-48,50-53,55-59H,13-15H2,1-2H3/b8-3+/t24-,25-,26-,30-,31-,32-,34+,35+,36+,37-,38-,41-,42-,43+,44-/m1/s1
HMDB46206	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-,55-52-
HMDB46207	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,39,45,48,54,57,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,29-26-,39-35-,48-45-,57-54-
HMDB46208	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,35,38,44,47,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,38-35-,47-44-
HMDB46209	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,40-37-,49-46-
HMDB29266	Kaempferol 3-O-feruloyl-caffeoyl-sophoroside 7-O-glucoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@@]2([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2O1	InChI=1S/C52H54O27/c1-70-30-15-22(3-11-27(30)56)5-13-36(60)71-19-33-39(62)43(66)46(69)51(76-33)79-49-44(67)40(63)34(20-72-35(59)12-4-21-2-10-26(55)28(57)14-21)77-52(49)78-48-41(64)37-29(58)16-25(73-50-45(68)42(65)38(61)32(18-53)75-50)17-31(37)74-47(48)23-6-8-24(54)9-7-23/h2-17,32-34,38-40,42-46,49-58,61-63,65-69H,18-20H2,1H3/b12-4+,13-5+/t32-,33-,34-,38-,39-,40-,42+,43+,44+,45-,46-,49-,50-,51+,52-/m1/s1
HMDB29269	Kaempferol 3-O-feruloyl-sophoroside 7-O-glucoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@@]2([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2O1	InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)60-15-26-31(52)35(56)40(67-42-37(58)34(55)30(51)25(14-45)64-42)43(65-26)66-39-32(53)28-21(48)11-19(61-41-36(57)33(54)29(50)24(13-44)63-41)12-23(28)62-38(39)17-4-6-18(46)7-5-17/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3+/t24-,25-,26-,29-,30-,31-,33+,34+,35+,36-,37-,40-,41-,42+,43-/m1/s1
HMDB56276	DG(24:1n9/0:0/18:3n3)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,43,46H,3-5,7,9-11,13,15-16,20-24,26-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-
HMDB29268	Kaempferol 3-O-caffeoyl-sophoroside 7-O-glucoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@@]2([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2O1	InChI=1S/C42H46O24/c43-12-23-28(50)32(54)35(57)40(62-23)60-18-10-21(48)27-22(11-18)61-37(16-3-5-17(45)6-4-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(13-44)63-41)34(56)30(52)25(64-42)14-59-26(49)8-2-15-1-7-19(46)20(47)9-15/h1-11,23-25,28-30,32-36,39-48,50-52,54-58H,12-14H2/b8-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,36-,39-,40-,41+,42-/m1/s1
HMDB56919	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-8,11-12,15-20,24,28-32,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB56277	DG(24:1n9/0:0/18:4n3)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,29,31,43,46H,3-5,7,9-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-,31-29-
HMDB56315	DG(20:2n6/0:0/18:3n3)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8-9,11-12,14-15,17-18,20,38,41H,3-5,7,10,13,16,19,21-37H2,1-2H3/b8-6-,11-9-,14-12-,17-15-,20-18-
HMDB48742	TG(16:1(9Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,59H,4-20,22-23,26,28-58H2,1-3H3/b24-21-,27-25-
HMDB58971	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-49-45-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43-45,48-50,54-56,59-60,62,66,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,46-47,51-53,57-58,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,59-55-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB58970	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-49-45-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43-45,48-50,54-56,59-60,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,46-47,51-53,57-58,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,59-55-,60-56-/t81?,82-,83-/m1/s1
HMDB46773	TG(22:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,37,43,46,52,55,66H,4-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,46-43-,55-52-
HMDB56916	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58751	CL(18:2(9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-38-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-38,41-43,46-47,53,55,57,59,78-80,85H,5-20,23-24,29-30,35,39-40,44-45,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,41-38-,46-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1
HMDB58750	CL(18:2(9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-42,45,52,56,77-79,84H,5-20,22-24,29,34-35,39,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,40-37-,41-38-,45-42-,56-52-/t77?,78-,79-/m1/s1
HMDB56913	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB50809	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,60H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB56912	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB33628	Asitrilobin B	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB33629	xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one	CC1(O)CCC(=O)C=C1	InChI=1S/C7H10O2/c1-7(9)4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3
HMDB33622	Brassica oleracea Alkaloid; Glycine amide	OC(=O)CNC(=O)C1CSC2=NC=C3C(=NC4=CC=CC=C34)N12	InChI=1S/C15H12N4O3S/c20-12(21)6-16-14(22)11-7-23-15-17-5-9-8-3-1-2-4-10(8)18-13(9)19(11)15/h1-5,11H,6-7H2,(H,16,22)(H,20,21)
HMDB33623	Zearalenone 4-sulfate	CC1CCCC(=O)CCC\C=C\C2=CC(OS(O)(=O)=O)=CC(O)=C2C(=O)O1	InChI=1S/C18H22O8S/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(26-27(22,23)24)11-16(20)17(13)18(21)25-12/h3,7,10-12,20H,2,4-6,8-9H2,1H3,(H,22,23,24)/b7-3+
HMDB33620	Hexyl butyrate	CCCCCCOC(=O)CCC	InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
HMDB33621	Araliacerebroside	CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCC\C=C\CCCCCCCCC	InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+
HMDB33626	3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone, 9CI; (R)-form, 1'-O-a-D-Xylopyranoside	OC1COC(OCC2OC(=O)C(O)=C2O)C(O)C1O	InChI=1S/C10H14O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-5,8,10-15H,1-2H2
HMDB33627	3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone, 9CI; (R)-form, 1'-O-a-D-Glucopyranoside	OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O	InChI=1S/C11H16O10/c12-1-3-5(13)7(15)9(17)11(21-3)19-2-4-6(14)8(16)10(18)20-4/h3-5,7,9,11-17H,1-2H2
HMDB33624	()-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid	OC(CC1=C(O)C=CC=C1)C(O)=O	InChI=1S/C9H10O4/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
HMDB33625	(3R,7R)-1,3,7-Octanetriol	CC(O)CCCC(O)CCO	InChI=1S/C8H18O3/c1-7(10)3-2-4-8(11)5-6-9/h7-11H,2-6H2,1H3
HMDB39749	Kenposide B	CC(C)=CCC(COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C(C)=C	InChI=1S/C21H36O10/c1-10(2)5-6-12(11(3)4)7-28-21-19(27)17(25)16(24)14(31-21)9-30-20-18(26)15(23)13(22)8-29-20/h5,12-27H,3,6-9H2,1-2,4H3
HMDB39748	Kaempferol 3-(2''-acetylrhamnoside)	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(C)=O)C(O)C1O	InChI=1S/C23H22O11/c1-9-17(28)19(30)22(32-10(2)24)23(31-9)34-21-18(29)16-14(27)7-13(26)8-15(16)33-20(21)11-3-5-12(25)6-4-11/h3-9,17,19,22-23,25-28,30H,1-2H3
HMDB39747	3''-O-Acetylafzelin	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(OC(C)=O)C1O	InChI=1S/C23H22O11/c1-9-17(28)21(32-10(2)24)19(30)23(31-9)34-22-18(29)16-14(27)7-13(26)8-15(16)33-20(22)11-3-5-12(25)6-4-11/h3-9,17,19,21,23,25-28,30H,1-2H3
HMDB39746	4''-O-Acetylafzelin	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1OC(C)=O	InChI=1S/C23H22O11/c1-9-20(32-10(2)24)18(29)19(30)23(31-9)34-22-17(28)16-14(27)7-13(26)8-15(16)33-21(22)11-3-5-12(25)6-4-11/h3-9,18-20,23,25-27,29-30H,1-2H3
HMDB39745	(2E,6E,9xi)-Farnesol	CC(C)=CC(O)C\C(C)=C\CC\C(C)=C\CO	InChI=1S/C15H26O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,15-17H,5-6,9,11H2,1-4H3/b13-8+,14-7+
HMDB39744	Ginsenol	CC1(C)CC2(O)C3(C)CCCC2(C)CCC13	InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3
HMDB39743	Pterocaryanin B	OCC1OC(O)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C27H22O18/c28-5-13-21(43-24(38)6-1-9(29)16(33)10(30)2-6)22-23(27(41)42-13)45-26(40)8-4-12(32)18(35)20(37)15(8)14-7(25(39)44-22)3-11(31)17(34)19(14)36/h1-4,13,21-23,27-37,41H,5H2
HMDB39742	a-D-Glucopyranuronosyl-(1->2)-b-D-xylopyranosyl-(1->4)-D-xylose; O4''-Me	COC1C(O)C(O)C(OC2C(O)C(O)COC2OC2COC(O)C(O)C2O)OC1C(O)=O	InChI=1S/C17H28O15/c1-27-11-8(21)10(23)16(32-13(11)14(24)25)31-12-6(19)4(18)2-29-17(12)30-5-3-28-15(26)9(22)7(5)20/h4-13,15-23,26H,2-3H2,1H3,(H,24,25)
HMDB39741	alpha-L-Rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->3)-L-fucose	CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(C)OC(O)C3O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O14/c1-4-7(20)10(23)11(24)17(29-4)32-15-9(22)6(3-19)30-18(13(15)26)31-14-8(21)5(2)28-16(27)12(14)25/h4-27H,3H2,1-2H3
HMDB39740	Isoamericanol A	OC\C=C/C1=CC=C2OC(CO)C(OC2=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1-
HMDB31170	Muconin	CCCCCCCCCCCCC(O)C1CCC(O1)C1CCCC(O1)C(O)CCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-13-16-21-32(40)34-24-25-36(44-34)35-23-18-22-33(43-35)31(39)20-17-14-11-12-15-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
HMDB31171	Mucoxin	CCCCCCCCCCCCCCCCCC(O)C1CC(O)C(O1)C1CCC(O1)C(O)CCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31(39)35-27-32(40)36(44-35)34-25-24-33(43-34)30(38)22-20-17-18-21-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
HMDB31172	3-Formyl-6-hydroxyindole	OC1=CC2=C(C=C1)C(C=O)=CN2	InChI=1S/C9H7NO2/c11-5-6-4-10-9-3-7(12)1-2-8(6)9/h1-5,10,12H
HMDB31173	6-Hydroxy-1H-indole-3-acetamide	NC(=O)CC1=CNC2=C1C=CC(O)=C2	InChI=1S/C10H10N2O2/c11-10(14)3-6-5-12-9-4-7(13)1-2-8(6)9/h1-2,4-5,12-13H,3H2,(H2,11,14)
HMDB31174	4-Methyl-5-hexanolide	CC1CCC(=O)OC1C	InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3
HMDB31175	Tetrahydro-2-furanmethanol	OCC1CCCO1	InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
HMDB31176	Tetrahydro-2-furanmethanol, 9CI; ()-form, Ac	CC(=O)OCC1CCCO1	InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
HMDB31177	Tetrahydro-2-furanmethanol, 9CI; ()-form, Propanoyl	CCC(=O)OCC1CCCO1	InChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3
HMDB31178	Dihydro-2-methyl-3(2H)-furanone	CC1OCCC1=O	InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
HMDB31179	2,2,6,6-Tetramethyl-4-piperidinone	CC1(C)CC(=O)CC(C)(C)N1	InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
HMDB55868	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43-48,52,55,66H,4-6,9,12-15,22-24,31-33,40-42,49-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-
HMDB44516	TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,35,38,53H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-34,36-37,39-52H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-,38-35-
HMDB44517	TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,36,39,54H,4-7,9-10,12-15,18,21-24,28,31,33-35,37-38,40-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-
HMDB42589	TG(14:0/20:2n6/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,30-31,53H,4-13,15,18,20-22,27-29,32-52H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,31-30-
HMDB42588	TG(14:0/20:2n6/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13-14,16-17,22-25,52H,4-12,15,18-21,26-51H2,1-3H3/b16-13-,17-14-,24-22-,25-23-
HMDB44512	TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,38,41,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,41-38-
HMDB44513	TG(16:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,40,43,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,43-40-
HMDB44510	TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,36,39,54H,4-7,9-10,12-16,18-19,21-24,28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,39-36-
HMDB44511	TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,36,38-39,41,54H,4-7,9-10,12-16,18-19,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB42583	TG(14:0/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,30-31,37,40,53H,4-13,15-16,18-22,27-29,32-36,38-39,41-52H2,1-3H3/b17-14-,25-23-,26-24-,31-30-,40-37-
HMDB42582	TG(14:0/20:2n6/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,53H,4-13,15-16,18-22,27-52H2,1-3H3/b17-14-,25-23-,26-24-
HMDB42581	TG(14:0/20:2n6/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h13,16,22,24-25,27,51H,4-12,14-15,17-21,23,26,28-50H2,1-3H3/b16-13-,24-22-,27-25-
HMDB42580	TG(14:0/20:2n6/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h13,16,20,22-24,51H,4-12,14-15,17-19,21,25-50H2,1-3H3/b16-13-,23-20-,24-22-
HMDB42587	TG(14:0/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h13,16-17,20,22,24-25,27,32,35,51H,4-12,14-15,18-19,21,23,26,28-31,33-34,36-50H2,1-3H3/b16-13-,20-17-,24-22-,27-25-,35-32-
HMDB42586	TG(14:0/20:2n6/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,17,19,22-23,25-26,28,52H,4-13,15-16,18,20-21,24,27,29-51H2,1-3H3/b17-14-,22-19-,25-23-,28-26-
HMDB42585	TG(14:0/20:2n6/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,57H,4-13,15-16,18-22,27-56H2,1-3H3/b17-14-,25-23-,26-24-
HMDB42584	TG(14:0/20:2n6/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,55H,4-13,15-16,18-22,27-54H2,1-3H3/b17-14-,25-23-,26-24-
HMDB54392	TG(22:2(13Z,16Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,66H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-
HMDB56873	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB58657	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,43-49,54-56,58-60,68,72,87-89,94H,5-8,11-12,15-20,24,28-32,40-42,50-53,57,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB37635	xi-1-Ethoxy-1-butoxyethane	CCCCOC(C)OCC	InChI=1S/C8H18O2/c1-4-6-7-10-8(3)9-5-2/h8H,4-7H2,1-3H3
HMDB37634	xi-1-Ethoxy-1-pentyloxyethane	CCCCCOC(C)OCC	InChI=1S/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3
HMDB37636	xi-1-Butoxy-1-methoxyethane	CCCCOC(C)OC	InChI=1S/C7H16O2/c1-4-5-6-9-7(2)8-3/h7H,4-6H2,1-3H3
HMDB37631	3-Methyl-alpha-ionyl acetate	CC(OC(C)=O)C(\C)=C\C1C(C)=CCCC1(C)C	InChI=1S/C16H26O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h8,10,13,15H,7,9H2,1-6H3/b12-10+
HMDB37630	xi-Tetrahydro-3-propyl-2H-pyran-2-one	CCCC1CCCOC1=O	InChI=1S/C8H14O2/c1-2-4-7-5-3-6-10-8(7)9/h7H,2-6H2,1H3
HMDB37633	xi-Tetrahydro-3-nonyl-2H-pyran-2-one	CCCCCCCCCC1CCCOC1=O	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-16-14(13)15/h13H,2-12H2,1H3
HMDB37632	xi-Tetrahydro-3-pentyl-2H-pyran-2-one	CCCCCC1CCCOC1=O	InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-12-10(9)11/h9H,2-8H2,1H3
HMDB37639	xi-1-Ethoxy-1-hexyloxyethane	CCCCCCOC(C)OCC	InChI=1S/C10H22O2/c1-4-6-7-8-9-12-10(3)11-5-2/h10H,4-9H2,1-3H3
HMDB37638	Ammonium peroxydisulfate	[NH4+].[NH4+].[O-]S(=O)(=O)OOS([O-])(=O)=O	InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)
HMDB59536	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,48-49,51-52,59-60,63-64,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB59537	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,49-50,52-53,60-61,64-65,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-48,51,54-59,62-63,66-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-,64-60-,65-61-/t82?,83-,84-/m1/s1
HMDB14304	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
HMDB59535	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,48-49,51-52,59-60,63-64,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB55155	TG(18:3(9Z,12Z,15Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,51H,4-6,9,12-15,18,21-24,29-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-
HMDB59533	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59530	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,50-52,54-56,62-64,66-68,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47-49,53,57-61,65,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB59531	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59538	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,41-42,44-45,48,50-54,60-62,64-66,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,46-47,49,55-59,63,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB59539	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-8,11-12,15-20,24,29-31,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB08570	PC(22:1(13Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h20-23,48H,6-19,24-47H2,1-5H3/b22-20-,23-21-/t48-/m1/s1
HMDB08571	PC(22:1(13Z)/20:2(11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,48H,6-14,16,18-19,24-47H2,1-5H3/b17-15-,22-20-,23-21-/t48-/m1/s1
HMDB08572	PC(22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h20-23,29,31,35,37,48H,6-19,24-28,30,32-34,36,38-47H2,1-5H3/b22-20-,23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08573	PC(22:1(13Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,29,31,48H,6-14,16,18-19,24-28,30,32-47H2,1-5H3/b17-15-,22-20-,23-21-,31-29-/t48-/m1/s1
HMDB08574	PC(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,29,31,35,37,48H,6-14,16,18-19,24-28,30,32-34,36,38-47H2,1-5H3/b17-15-,22-20-,23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08575	PC(22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,29,31,48H,6-8,10,12-14,16,18-19,24-28,30,32-47H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,31-29-/t48-/m1/s1
HMDB08576	PC(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,29,31,35,37,48H,6-8,10,12-14,16,18-19,24-28,30,32-34,36,38-47H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08577	PC(22:1(13Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,50H,6-19,21,23-49H2,1-5H3/b22-20-/t50-/m1/s1
HMDB08578	PC(22:1(13Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1
HMDB08579	PC(22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,50H,6-14,16,18-19,24-49H2,1-5H3/b17-15-,22-20-,23-21-/t50-/m1/s1
HMDB55860	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,36,38-39,41,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35,37,40,42-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-
HMDB53571	TG(20:2n6/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,35,57H,4-6,8,11,13,15,20,22,24,29-30,32,34,36-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-
HMDB11873	Ganglioside GD3 (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C74H131N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(88)77-48(49(84)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-99-69-63(93)62(92)65(55(44-81)101-69)102-70-64(94)68(60(90)53(42-79)100-70)106-74(72(97)98)40-51(86)58(76-47(4)83)67(105-74)61(91)54(43-80)103-73(71(95)96)39-50(85)57(75-46(3)82)66(104-73)59(89)52(87)41-78/h19-20,35,37,48-55,57-70,78-81,84-87,89-94H,5-18,21-34,36,38-45H2,1-4H3,(H,75,82)(H,76,83)(H,77,88)(H,95,96)(H,97,98)/b20-19-,37-35+/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66?,67?,68-,69+,70-,73+,74-/m0/s1
HMDB11872	Ganglioside GD3 (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C70H123N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h15,17,31,33,44-51,53-66,74-77,80-83,85-90H,5-14,16,18-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b17-15-,33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1
HMDB11871	Ganglioside GD3 (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C66H117N3O29/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-41(76)40(69-48(80)30-28-26-24-22-19-16-14-12-10-8-6-2)37-91-61-55(85)54(84)57(47(36-73)93-61)94-62-56(86)60(52(82)45(34-71)92-62)98-66(64(89)90)32-43(78)50(68-39(4)75)59(97-66)53(83)46(35-72)95-65(63(87)88)31-42(77)49(67-38(3)74)58(96-65)51(81)44(79)33-70/h27,29,40-47,49-62,70-73,76-79,81-86H,5-26,28,30-37H2,1-4H3,(H,67,74)(H,68,75)(H,69,80)(H,87,88)(H,89,90)/b29-27+/t40-,41+,42-,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58?,59?,60-,61+,62-,65+,66-/m0/s1
HMDB11870	Ganglioside GD3 (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C78H141N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h19-20,52-59,61-74,82-85,88-91,93-98H,5-18,21-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/b20-19-/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67+,68+,69+,70?,71?,72-,73+,74-,77+,78-/m0/s1
HMDB11877	Ganglioside GM1 (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C72H130N2O31/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45(82)44(74-52(85)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)40-96-68-60(92)58(90)63(50(38-78)99-68)102-70-61(93)66(105-72(71(94)95)34-46(83)53(73-42(4)81)65(104-72)54(86)47(84)35-75)64(51(39-79)100-70)103-67-43(33-41(3)80)62(56(88)49(37-77)97-67)101-69-59(91)57(89)55(87)48(36-76)98-69/h43-51,53-70,75-79,82-84,86-93H,5-40H2,1-4H3,(H,73,81)(H,74,85)(H,94,95)/t43-,44+,45-,46+,47-,48-,49-,50-,51-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64+,65?,66-,67+,68-,69+,70+,72+/m1/s1
HMDB11876	Ganglioside GM1 (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C70H126N2O31/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-43(80)42(72-50(83)30-28-26-24-22-19-16-14-12-10-8-6-2)38-94-66-58(90)56(88)61(48(36-76)97-66)100-68-59(91)64(103-70(69(92)93)32-44(81)51(71-40(4)79)63(102-70)52(84)45(82)33-73)62(49(37-77)98-68)101-65-41(31-39(3)78)60(54(86)47(35-75)95-65)99-67-57(89)55(87)53(85)46(34-74)96-67/h41-49,51-68,73-77,80-82,84-91H,5-38H2,1-4H3,(H,71,79)(H,72,83)(H,92,93)/t41-,42+,43-,44+,45-,46-,47-,48-,49-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62+,63?,64-,65+,66-,67+,68+,70+/m1/s1
HMDB11875	Ganglioside GM1 (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C68H122N2O31/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-41(78)40(70-48(81)28-26-24-22-19-14-12-10-8-6-2)36-92-64-56(88)54(86)59(46(34-74)95-64)98-66-57(89)62(101-68(67(90)91)30-42(79)49(69-38(4)77)61(100-68)50(82)43(80)31-71)60(47(35-75)96-66)99-63-39(29-37(3)76)58(52(84)45(33-73)93-63)97-65-55(87)53(85)51(83)44(32-72)94-65/h39-47,49-66,71-75,78-80,82-89H,5-36H2,1-4H3,(H,69,77)(H,70,81)(H,90,91)/t39-,40+,41-,42+,43-,44-,45-,46-,47-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,60+,61?,62-,63+,64-,65+,66+,68+/m1/s1
HMDB11874	Ganglioside GD3 (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C75H135N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(89)78-49(50(85)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-100-70-64(94)63(93)66(56(45-82)102-70)103-71-65(95)69(61(91)54(43-80)101-71)107-75(73(98)99)41-52(87)59(77-48(4)84)68(106-75)62(92)55(44-81)104-74(72(96)97)40-51(86)58(76-47(3)83)67(105-74)60(90)53(88)42-79/h36,38,49-56,58-71,79-82,85-88,90-95H,5-35,37,39-46H2,1-4H3,(H,76,83)(H,77,84)(H,78,89)(H,96,97)(H,98,99)/b38-36+/t49-,50+,51-,52-,53+,54+,55+,56+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67?,68?,69-,70+,71-,74+,75-/m0/s1
HMDB11879	Ganglioside GM1 (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C74H132N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h15,17,45-53,55-72,77-81,84-86,88-95H,5-14,16,18-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/b17-15-/t45-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1
HMDB11878	Ganglioside GM1 (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C74H134N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h45-53,55-72,77-81,84-86,88-95H,5-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/t45-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1
HMDB58658	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,54-56,58-60,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-53,57,61-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-/t87?,88-,89-/m1/s1
HMDB28729	Asparaginyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C9H16N4O5/c10-4(1-2-6(11)14)8(16)13-5(9(17)18)3-7(12)15/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)
HMDB28728	Asparaginyl-Cysteine	NC(CS)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C7H13N3O4S/c8-3(2-15)6(12)10-4(7(13)14)1-5(9)11/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)
HMDB28723	Arginyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C11H22N6O4/c12-6(3-4-8(13)18)9(19)17-7(10(20)21)2-1-5-16-11(14)15/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)
HMDB28722	Arginyl-Valine	CC(C)C(N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)
HMDB28721	Arginyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)
HMDB28720	Arginyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C17H24N6O3/c18-12(8-10-9-22-13-5-2-1-4-11(10)13)15(24)23-14(16(25)26)6-3-7-21-17(19)20/h1-2,4-5,9,12,14,22H,3,6-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)
HMDB28727	Asparaginyl-Aspartate	NC(CC(O)=O)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C8H13N3O6/c9-3(1-6(13)14)7(15)11-4(8(16)17)2-5(10)12/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)
HMDB28726	Asparaginyl-Asparagine	NC(CC(N)=O)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C8H14N4O5/c9-3(1-5(10)13)7(15)12-4(8(16)17)2-6(11)14/h3-4H,1-2,9H2,(H2,10,13)(H2,11,14)(H,12,15)(H,16,17)
HMDB28725	Asparaginyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C10H20N6O4/c11-5(2-1-3-15-10(13)14)8(18)16-6(9(19)20)4-7(12)17/h5-6H,1-4,11H2,(H2,12,17)(H,16,18)(H,19,20)(H4,13,14,15)
HMDB28724	Asparaginyl-Alanine	CC(N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)
HMDB13659	()8(9)-EET Ethanolamide	CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(=O)NCCO	InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-12-15-20-21(26-20)16-13-10-11-14-17-22(25)23-18-19-24/h6-7,9-10,12-13,20-21,24H,2-5,8,11,14-19H2,1H3,(H,23,25)/b7-6-,12-9-,13-10-
HMDB13658	Docosahexaenoyl Ethanolamide	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCO	InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
HMDB32978	2,4-Dimethylthiophene	CC1=CC(C)=CS1	InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
HMDB13651	2-(14,15-Epoxyeicosatrienoyl) Glycerol	CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO	InChI=1S/C23H38O5/c1-2-3-12-15-21-22(28-21)16-13-10-8-6-4-5-7-9-11-14-17-23(26)27-20(18-24)19-25/h4,6-7,9-10,13,20-22,24-25H,2-3,5,8,11-12,14-19H2,1H3/b6-4-,9-7-,13-10-
HMDB13650	Arachidonoyl Serinol	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(CO)CO	InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)24-22(20-25)21-26/h6-7,9-10,12-13,15-16,22,25-26H,2-5,8,11,14,17-21H2,1H3,(H,24,27)/b7-6-,10-9-,13-12-,16-15-
HMDB13653	Prostaglandin D2-1-glyceryl ester	CCCCC[C@@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)OCC(O)CO)[C@@H](O)CC1=O	InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19-,20-,21+/m1/s1
HMDB13652	()11(12)-EET Ethanolamide	CCCCC\C=C/CC1OC1C\C=C/C\C=C/CCCC(=O)NCCO	InChI=1S/C22H37NO3/c1-2-3-4-5-9-12-15-20-21(26-20)16-13-10-7-6-8-11-14-17-22(25)23-18-19-24/h6,8-10,12-13,20-21,24H,2-5,7,11,14-19H2,1H3,(H,23,25)/b8-6-,12-9-,13-10-
HMDB13655	O-Arachidonoyl Ethanolamine	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCN	InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
HMDB13654	Palmitoyl Serinol	CCCCCCCCCCCCCCCC(=O)NC(CO)CO	InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-18(16-21)17-22/h18,21-22H,2-17H2,1H3,(H,20,23)
HMDB13657	2-Arachidonyl Glycerol ether	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO	InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
HMDB13656	15-Deoxy-Δ12,14-Prostaglandin J2-2-glycerol ester	CCCCC\C=C/C=C1/C(=O)C=C[C@@H]1C\C=C/CCCC(=O)OC(CO)CO	InChI=1S/C23H34O5/c1-2-3-4-5-6-10-13-21-19(15-16-22(21)26)12-9-7-8-11-14-23(27)28-20(17-24)18-25/h6-7,9-10,13,15-16,19-20,24-25H,2-5,8,11-12,14,17-18H2,1H3/b9-7-,10-6-,21-13+/t19-/m0/s1
HMDB59553	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,69-70,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB50612	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,35,40-41,43-44,58H,4-15,17,20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-
HMDB46037	TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35-36,39,41,44,62H,4-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-
HMDB59554	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB32975	2,5-Dimethylthiazole	CC1=CN=C(C)S1	InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3
HMDB32974	2,4-Dimethylthiazole	CC1=NC(C)=CS1	InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3
HMDB15550	Amyl Nitrite	CCCCCON=O	InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3
HMDB15551	Erythrityl Tetranitrate	[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O	InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+
HMDB15552	Acepromazine	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O	InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
HMDB15553	Aceprometazine	CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C	InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
HMDB15554	Alverine	CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1	InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
HMDB15555	Molindone	CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2	InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
HMDB15556	Phenindamine	CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1	InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3
HMDB15557	Pheniramine	CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1	InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
HMDB15558	Pipotiazine	CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1	InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3
HMDB15559	Thioproperazine	CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1	InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
HMDB59555	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,51-52,55-56,63-64,67-68,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-50,53-54,57-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,55-51-,56-52-,67-63-,68-64-/t86-,87-/m1/s1
HMDB12018	Ganglioside GT1c (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C102H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(123)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-84(132)82(130)87(70(52-112)143-94)146-96-85(133)92(88(71(53-113)144-96)147-93-59(43-55(3)114)86(78(126)67(49-109)141-93)145-95-83(131)81(129)77(125)66(48-108)142-95)153-102(99(138)139)46-64(121)75(105-58(6)117)91(152-102)80(128)69(51-111)149-101(98(136)137)45-63(120)74(104-57(5)116)90(151-101)79(127)68(50-110)148-100(97(134)135)44-62(119)73(103-56(4)115)89(150-100)76(124)65(122)47-107/h21-22,39,41,59-71,73-96,107-113,118-122,124-133H,7-20,23-38,40,42-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/b22-21-,41-39+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77+,78+,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92-,93+,94-,95+,96+,100-,101-,102+/m1/s1
HMDB12019	Ganglioside GT1c (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C103H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(124)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-85(133)83(131)88(71(53-113)144-95)147-97-86(134)93(89(72(54-114)145-97)148-94-60(44-56(3)115)87(79(127)68(50-110)142-94)146-96-84(132)82(130)78(126)67(49-109)143-96)154-103(100(139)140)47-65(122)76(106-59(6)118)92(153-103)81(129)70(52-112)150-102(99(137)138)46-64(121)75(105-58(5)117)91(152-102)80(128)69(51-111)149-101(98(135)136)45-63(120)74(104-57(4)116)90(151-101)77(125)66(123)48-108/h40,42,60-72,74-97,108-114,119-123,125-134H,7-39,41,43-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,124)(H,135,136)(H,137,138)(H,139,140)/b42-40+/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78+,79+,80-,81-,82+,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93-,94+,95-,96+,97+,101-,102-,103+/m1/s1
HMDB12010	Ganglioside GT1c (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h33,35,53-65,67-90,101-107,112-116,118-127H,7-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1
HMDB12011	Ganglioside GT1c (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C96H164N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h17,19,33,35,53-65,67-90,101-107,112-116,118-127H,7-16,18,20-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b19-17-,35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1
HMDB12012	Ganglioside GT1c (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C96H164N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h21-22,33,35,53-65,67-90,101-107,112-116,118-127H,7-20,23-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b22-21-,35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1
HMDB12013	Ganglioside GT1c (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C98H170N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-68(119)102-56(57(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-136-90-80(128)78(126)83(66(48-108)139-90)142-92-81(129)88(84(67(49-109)140-92)143-89-55(39-51(3)110)82(74(122)63(45-105)137-89)141-91-79(127)77(125)73(121)62(44-104)138-91)149-98(95(134)135)42-60(117)71(101-54(6)113)87(148-98)76(124)65(47-107)145-97(94(132)133)41-59(116)70(100-53(5)112)86(147-97)75(123)64(46-106)144-96(93(130)131)40-58(115)69(99-52(4)111)85(146-96)72(120)61(118)43-103/h35,37,55-67,69-92,103-109,114-118,120-129H,7-34,36,38-50H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,119)(H,130,131)(H,132,133)(H,134,135)/b37-35+/t55-,56+,57-,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85?,86?,87?,88-,89+,90-,91+,92+,96-,97-,98+/m1/s1
HMDB12014	Ganglioside GT1c (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C100H174N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h37,39,57-69,71-94,105-111,116-120,122-131H,7-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1
HMDB12015	Ganglioside GT1c (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C100H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h21-22,37,39,57-69,71-94,105-111,116-120,122-131H,7-20,23-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b22-21-,39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1
HMDB12016	Ganglioside GT1c (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C101H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(122)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-83(131)81(129)86(69(51-111)142-93)145-95-84(132)91(87(70(52-112)143-95)146-92-58(42-54(3)113)85(77(125)66(48-108)140-92)144-94-82(130)80(128)76(124)65(47-107)141-94)152-101(98(137)138)45-63(120)74(104-57(6)116)90(151-101)79(127)68(50-110)148-100(97(135)136)44-62(119)73(103-56(5)115)89(150-100)78(126)67(49-109)147-99(96(133)134)43-61(118)72(102-55(4)114)88(149-99)75(123)64(121)46-106/h38,40,58-70,72-95,106-112,117-121,123-132H,7-37,39,41-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,122)(H,133,134)(H,135,136)(H,137,138)/b40-38+/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76+,77+,78-,79-,80+,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91-,92+,93-,94+,95+,99-,100-,101+/m1/s1
HMDB12017	Ganglioside GT1c (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C102H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(123)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-84(132)82(130)87(70(52-112)143-94)146-96-85(133)92(88(71(53-113)144-96)147-93-59(43-55(3)114)86(78(126)67(49-109)141-93)145-95-83(131)81(129)77(125)66(48-108)142-95)153-102(99(138)139)46-64(121)75(105-58(6)117)91(152-102)80(128)69(51-111)149-101(98(136)137)45-63(120)74(104-57(5)116)90(151-101)79(127)68(50-110)148-100(97(134)135)44-62(119)73(103-56(4)115)89(150-100)76(124)65(122)47-107/h39,41,59-71,73-96,107-113,118-122,124-133H,7-38,40,42-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/b41-39+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77+,78+,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92-,93+,94-,95+,96+,100-,101-,102+/m1/s1
HMDB53178	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-33,36,38-39,41,58H,4-6,8,11,13-15,22-24,29,34-35,37,40,42-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-
HMDB53179	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-33,36,38-39,41,45,48,58H,4-6,8,11,13-15,22-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-
HMDB29458	Oryzarol	CCCCCCCCCCCCCCCC(=O)OC1=CC=C(CC=C)C=C1OC	InChI=1S/C26H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26(27)29-24-21-20-23(18-5-2)22-25(24)28-3/h5,20-22H,2,4,6-19H2,1,3H3
HMDB29459	Xanthoxylol	COC1=C(O)C=CC(=C1)C1OCC2C1COC2C1=CC2=C(OCO2)C=C1	InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3
HMDB29452	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; (S)-form, 3'-O-b-D-Glucopyranoside	NC(CC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1)C(O)=O	InChI=1S/C15H21NO9/c16-7(14(22)23)3-6-1-2-8(18)9(4-6)24-15-13(21)12(20)11(19)10(5-17)25-15/h1-2,4,7,10-13,15,17-21H,3,5,16H2,(H,22,23)
HMDB29453	Maduramicin	COC1CC(C)OC(OC2CC(OC2C2(C)CCC(O2)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C3OC(O)(CC(O)=O)C(C)C(OC)C3OC)O2)C2OC(C)(O)C(C)CC2C)C1OC	InChI=1S/C47H80O17/c1-23-18-24(2)45(9,51)61-35(23)31-20-32(59-42-39(55-12)30(53-10)19-25(3)57-42)41(58-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)26(4)36(62-46)27(5)37-40(56-13)38(54-11)28(6)47(52,63-37)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)
HMDB29450	Aspergillomarasmine A	NC(CNC(CNC(CC(O)=O)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
HMDB29451	gamma-Glutaminyl-4-hydroxybenzene	NC(=O)CCC(NC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C11H14N2O4/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H2,12,15)(H,16,17)
HMDB29456	Amyl 2-furoate	CCCCCOC(=O)C1=CC=CO1	InChI=1S/C10H14O3/c1-2-3-4-7-13-10(11)9-6-5-8-12-9/h5-6,8H,2-4,7H2,1H3
HMDB29457	Xanthotoxol	OC1=C2OC=CC2=CC2=C1OC(=O)C=C2	InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H
HMDB53176	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-32,34,36,39,56H,4-6,8,11,13-15,22-24,29,33,35,37-38,40-55H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-
HMDB29455	Ginkgotoxin	COCC1=C(CO)C=NC(C)=C1O	InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3
HMDB54397	TG(22:2(13Z,16Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,38,41,47,50,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,41-38-,50-47-
HMDB59558	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,70-71,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-53,56,60,62-65,68-69,72-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-/t88?,89-,90-/m1/s1
HMDB59559	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,69-71,73,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-53,56,60,62-65,68,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB00710	4-Hydroxybutyric acid	OCCCC(O)=O	InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
HMDB00711	Hydroxyoctanoic acid	CCCCCCC(O)C(O)=O	InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
HMDB06254	4-Hydroxyretinoic acid	C\C(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O	InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
HMDB55639	TG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33,36,38,41-42,45,51,54,64H,4-6,8,11,13-15,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB55638	TG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33,36,38,41-42,45,64H,4-6,8,11,13-15,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-
HMDB06251	3-Decaprenyl-4-hydroxybenzoic acid	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C=CC(=C1)C(O)=O	InChI=1S/C57H86O3/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-40-54-43-55(57(59)60)41-42-56(54)58/h21,23,25,27,29,31,33,35,37,39,41-43,58H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,59,60)/b45-23+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+
HMDB55635	TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,43,46,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB55634	TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-6,9,12-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB55637	TG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,36-37,39-40,45,48,62H,4-7,10,13-15,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB55636	TG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,36-37,39-40,62H,4-7,10,13-15,22-24,31-35,38,41-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-
HMDB55631	TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,45,48,60H,4-6,9,12-15,22-24,31-33,40-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB55630	TG(20:4(8Z,11Z,14Z,17Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB06259	6beta-Hydroxytestosterone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)CC[C@]12C	InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1
HMDB06258	2,6-Dimethylheptanoyl-CoA	CC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18-,19+,22-,23-,24?,28+/m0/s1
HMDB00718	Isovaleric acid	CC(C)CC(O)=O	InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
HMDB00719	L-Homoserine	N[C@@H](CCO)C(O)=O	InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
HMDB54396	TG(22:2(13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,38,41,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-37,39-40,42-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,41-38-
HMDB55183	TG(18:3(9Z,12Z,15Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,32-33,58H,4-7,10,13-16,19,22-25,28-31,34-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-
HMDB55182	TG(18:3(9Z,12Z,15Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-56H2,1-3H3/b12-9-,21-18-,31-27-
HMDB55181	TG(18:3(9Z,12Z,15Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-
HMDB55180	TG(18:3(9Z,12Z,15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-
HMDB55187	TG(18:3(9Z,12Z,15Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,40,43,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-
HMDB55186	TG(18:3(9Z,12Z,15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,38,44,47,60H,4-7,10,13-16,19,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,47-44-
HMDB55185	TG(18:3(9Z,12Z,15Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,38,60H,4-7,10,13-16,19,22-25,28,30-33,36-37,39-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,38-35-
HMDB55184	TG(18:3(9Z,12Z,15Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,32-33,38,41,58H,4-7,10,13-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-,41-38-
HMDB55189	TG(18:3(9Z,12Z,15Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-58H2,1-3H3/b12-9-,21-18-,33-27-
HMDB55188	TG(18:3(9Z,12Z,15Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,40,43,49,52,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,52-49-
HMDB43130	TG(15:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,41,44,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,44-41-
HMDB53070	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16-18,20-22,25-27,29-30,35,37-38,40,55H,4-12,14-15,19,23-24,28,31-34,36,39,41-54H2,1-3H3/b16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-,40-37-
HMDB54588	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,39,42,44,47,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-
HMDB54589	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,39,42,44,47-48,51,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB54584	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,32-33,40,43,58H,4-7,10,13-15,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,43-40-
HMDB54585	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,32-33,38,40-41,43,58H,4-7,10,13-15,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-
HMDB54586	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,37,42,45,60H,4-7,10,13-15,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-
HMDB54587	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,37,42-43,45-46,60H,4-7,10,13-15,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB54580	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,33,59H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-
HMDB54581	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,36,44,47,62H,4-8,10-11,13-15,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,36-27-,47-44-
HMDB54582	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,39,42,44,47,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-
HMDB54583	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,39,42,44,47-48,51,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB35357	Blumealactone C	CC1CCCC2(C)OC2C(O)C2C(OC(=O)C2=C)C1OC(C)=O	InChI=1S/C17H24O6/c1-8-6-5-7-17(4)15(23-17)12(19)11-9(2)16(20)22-14(11)13(8)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3
HMDB57426	CL(16:1(9Z)/16:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h27,31,33-36,71-73,78H,5-26,28-30,32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB10320	Cortolone-3-glucuronide	CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO	InChI=1S/C27H42O11/c1-25-9-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)5-3-12(25)4-6-14-15-7-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-15,17-22,24,28,30-33,36H,3-11H2,1-2H3,(H,34,35)/t12?,13?,14?,15?,17?,18?,19-,20-,21+,22-,24+,25?,26?,27?/m0/s1
HMDB10321	3,17-Androstanediol glucuronide	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C25H40O8/c1-24-9-7-13(32-23(31)21-19(28)18(27)20(29)22(30)33-21)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-22,26-30H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,24-,25-/m0/s1
HMDB10322	17-alpha-estradiol-3-glucuronide	C[C@]12CCC3C(CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)C1CC[C@@H]2O	InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18-,19-,20+,21-,23+,24-/m0/s1
HMDB10323	Phenethylamine glucuronide	O[C@@H]1[C@@H](O)[C@H](NCCC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O	InChI=1S/C14H19NO6/c16-9-10(17)12(14(19)20)21-13(11(9)18)15-7-6-8-4-2-1-3-5-8/h1-5,9-13,15-18H,6-7H2,(H,19,20)/t9-,10-,11+,12-,13+/m0/s1
HMDB07618	DG(22:1(13Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h10,12,16-17,37,40H,3-9,11,13-15,18-36H2,1-2H3/b12-10-,17-16-/t37-/m0/s1
HMDB07619	DG(22:1(13Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h17-18,38,41H,3-16,19-37H2,1-2H3/b18-17-/t38-/m0/s1
HMDB10326	Thyroxine glucuronide	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(I)=C2)C(I)=C1)C(O)=O	InChI=1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/t12-,13-,14-,15+,18-,21?/m0/s1
HMDB10327	Dehydroisoandrosterone 3-glucuronide	CC12CCC3C(CC=C4CC(CCC34C)O[C@@H]3OC([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2=O	InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/t13?,14?,15?,16?,18-,19-,20+,21?,23+,24?,25?/m0/s1
HMDB07614	DG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,36,38,45,48H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b8-6-,14-12-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1
HMDB07615	DG(22:0/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h47,50H,3-46H2,1-2H3/t47-/m0/s1
HMDB07616	DG(22:0/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,47,50H,3-16,18,20-46H2,1-2H3/b19-17-/t47-/m0/s1
HMDB07617	DG(22:1(13Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h16-17,37,40H,3-15,18-36H2,1-2H3/b17-16-/t37-/m0/s1
HMDB07610	DG(22:0/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45,48H,3-11,13,15-17,19,21-44H2,1-2H3/b14-12-,20-18-/t45-/m0/s1
HMDB07611	DG(22:0/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,45,48H,3-11,13,15-17,19,21-23,25,27-29,31,33-44H2,1-2H3/b14-12-,20-18-,26-24-,32-30-/t45-/m0/s1
HMDB07612	DG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,36,38,45,48H,3-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b14-12-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1
HMDB07613	DG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,45,48H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-44H2,1-2H3/b8-6-,14-12-,20-18-,26-24-,32-30-/t45-/m0/s1
HMDB57427	CL(16:1(9Z)/16:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-26,29-30,34-35,70-72,77H,5-24,27-28,31-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,35-34-/t70?,71-,72-/m1/s1
HMDB04096	5-Methoxyindoleacetate	COC1=CC2=C(NC=C2CC(O)=O)C=C1	InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
HMDB04095	5-Methoxytryptamine	COC1=CC2=C(NC=C2CCN)C=C1	InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
HMDB04094	Indoxyl	OC1=CNC2=CC=CC=C12	InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
HMDB48513	TG(16:1(9Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,58H,4-15,17-18,20,22-23,26,28-57H2,1-3H3/b19-16-,24-21-,27-25-
HMDB48510	TG(16:1(9Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,55H,4-13,15-16,18-20,22,25,27-54H2,1-3H3/b17-14-,24-21-,26-23-
HMDB48511	TG(16:1(9Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-
HMDB48516	TG(16:1(9Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-
HMDB48517	TG(16:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,38,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-
HMDB48514	TG(16:1(9Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,36,39,58H,4-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-36-
HMDB48515	TG(16:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,36,39,45,48,58H,4-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-36-,48-45-
HMDB48518	TG(16:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,34-31-
HMDB48519	TG(16:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,34-31-,43-40-
HMDB57424	CL(16:1(9Z)/16:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,28,30,32-34,69-71,76H,5-25,27,29,31,35-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,32-28-,34-33-/t69?,70-,71-/m1/s1
HMDB41634	p-Mentha-1(7),2-diene; (S)-form	[H][C@]1(CCC(=C)C=C1)C(C)C	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1
HMDB41635	Myricetin 3-arabinoside	O[C@H]1CO[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	InChI=1S/C20H18O12/c21-7-3-8(22)13-12(4-7)31-18(6-1-9(23)14(26)10(24)2-6)19(16(13)28)32-20-17(29)15(27)11(25)5-30-20/h1-4,11,15,17,20-27,29H,5H2/t11-,15-,17+,20-/m0/s1
HMDB41636	(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one	C\C=C\C(=O)C1=C(C)CC(O)CC1(C)C	InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+
HMDB41637	Cyanidin 3-gentiobioside	OCC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32)/p+1
HMDB36152	Alkhanol	CC1C2CCC3(C)C(O)CC(O)C(C)=C3C2OC1=O	InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-11,13,16-17H,4-6H2,1-3H3
HMDB41631	3-Thujanone	CC(C)C12CC1C(C)C(=O)C2	InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3
HMDB41632	5alpha-Cholestane	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
HMDB41633	p-Mentha-1(7),2-diene; (R)-form	[H][C@@]1(CCC(=C)C=C1)C(C)C	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m1/s1
HMDB41638	(-)-Epigallocatechin 3'-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(=C([H])C(O[H])=C2O[H])[C@@]2([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C([H])([H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H22O13/c22-7-3-9(23)8-5-11(25)18(32-12(8)4-7)6-1-10(24)14(26)13(2-6)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-4,11,15-19,21-29H,5H2,(H,30,31)/t11-,15+,16+,17-,18-,19+,21-/m1/s1
HMDB41639	(-)-Epigallocatechin 3-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@]2([H])C([H])([H])C3=C(O[C@]2([H])C2=C([H])C(O[H])=C(O[H])C(O[H])=C2[H])C([H])=C(O[H])C([H])=C3O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H22O13/c22-7-3-9(23)8-5-13(33-21-17(29)15(27)16(28)19(34-21)20(30)31)18(32-12(8)4-7)6-1-10(24)14(26)11(25)2-6/h1-4,13,15-19,21-29H,5H2,(H,30,31)/t13-,15+,16+,17-,18-,19+,21-/m1/s1
HMDB53918	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44-45,48,50,53,62H,4-15,22-24,31,33-34,38,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,53-50-
HMDB53919	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37-38,41,43,46,52,55,64H,4-15,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB59411	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,42-47,52-56,58,64,66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,39-41,48-51,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB12849	7'-carboxy-alpha-tocotrienol	C\C(CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C21H30O4/c1-13(8-9-18(22)23)7-6-11-21(5)12-10-17-16(4)19(24)14(2)15(3)20(17)25-21/h7,24H,6,8-12H2,1-5H3,(H,22,23)/b13-7+/t21-/m1/s1
HMDB12848	7'-Carboxy-alpha-chromanol	CC(CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C)CCC(O)=O	InChI=1S/C21H32O4/c1-13(8-9-18(22)23)7-6-11-21(5)12-10-17-16(4)19(24)14(2)15(3)20(17)25-21/h13,24H,6-12H2,1-5H3,(H,22,23)/t13?,21-/m1/s1
HMDB59410	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-50,57,61,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,51-56,58-60,62-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-/t79?,80-,81-/m1/s1
HMDB12843	6-Hydroxyhexanoic acid	OCCCCCC(O)=O	InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
HMDB57425	CL(16:1(9Z)/16:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h26-27,30-31,33,35,71-73,78H,5-25,28-29,32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,31-27-,35-33-/t71?,72-,73-/m1/s1
HMDB59412	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-56,58,64,68,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB59415	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,48-49,51-52,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-47,50,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-/t81?,82-,83-/m1/s1
HMDB59414	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,49-50,53-54,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-48,51-52,55-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-/t84-,85-/m1/s1
HMDB59417	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,49-50,53-54,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-48,51-52,55-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,53-49-,54-50-/t83?,84-,85-/m1/s1
HMDB57422	CL(16:1(9Z)/16:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25,27,29,31,34,36,71-73,78H,5-24,26,28,30,32-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,36-34-/t71?,72-,73-/m1/s1
HMDB50463	TG(20:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,37,39,45,48,58H,4-15,17-18,20,22-23,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,39-37-,48-45-
HMDB50462	TG(20:1(11Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,37,39,58H,4-15,17-18,20,22-23,29,31,33-36,38,40-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,39-37-
HMDB50461	TG(20:1(11Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,58H,4-15,17-18,20,22-23,29-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-
HMDB50460	TG(20:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,39,42,56H,4-15,17-18,20,22-23,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,42-39-
HMDB50467	TG(20:1(11Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,34,39,42,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,42-39-
HMDB47148	TG(24:0/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h65H,4-64H2,1-3H3
HMDB50465	TG(20:1(11Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,34,37,54H,4-7,9-10,12-16,18-19,22-23,28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,37-34-
HMDB50464	TG(20:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,54H,4-7,9-10,12-16,18-19,22-23,28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-
HMDB50469	TG(20:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,39-37-,48-45-
HMDB50468	TG(20:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,37,39,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,39-37-
HMDB57423	CL(16:1(9Z)/16:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,30,33-34,69-71,76H,5-25,27-29,31-32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,34-33-/t69?,70-,71-/m1/s1
HMDB00349	Erythrono-1,4-lactone	O[C@@H]1COC(=O)[C@@H]1O	InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1
HMDB00348	3b,12a-Dihydroxy-5a-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1
HMDB00347	16b-Hydroxyestradiol	[H][C@@]12C[C@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1
HMDB00346	3-Deoxyarabinohexonic acid	OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O	InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1
HMDB00345	3-Hydroxyadipic acid	OC(CCC(O)=O)CC(O)=O	InChI=1S/C6H10O5/c7-4(3-6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
HMDB00344	2-Methoxyestradiol-3-methylether	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(OC)=C3	InChI=1S/C20H28O3/c1-20-9-8-13-14(16(20)6-7-19(20)21)5-4-12-10-17(22-2)18(23-3)11-15(12)13/h10-11,13-14,16,19,21H,4-9H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
HMDB00343	2-Hydroxyestrone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3	InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
HMDB00341	2-Octenedioic acid	OC(=O)CCCC\C=C\C(O)=O	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h3,5H,1-2,4,6H2,(H,9,10)(H,11,12)/b5-3+
HMDB00340	3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12CO	InChI=1S/C24H40O6/c1-13(3-6-21(29)30)16-4-5-17-22-18(11-20(28)23(16,17)2)24(12-25)8-7-15(26)9-14(24)10-19(22)27/h13-20,22,25-28H,3-12H2,1-2H3,(H,29,30)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23-,24-/m1/s1
HMDB57420	CL(16:1(9Z)/16:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-26,28-30,32,69-71,76H,5-24,27,31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-,32-28-/t69?,70-,71-/m1/s1
HMDB32113	Glabracin A	CCCCCCCCCCC(O)C(O)CCCCC1CCC(O1)C1CCC(O1)C(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-12-18-31(39)32(40)19-15-14-17-30-21-22-35(44-30)36-24-23-34(45-36)33(41)20-13-10-11-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
HMDB32112	1,2,4-Nonadecanetriol	CCCCCCCCCCCCCCCC(O)CC(O)CO	InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h18-22H,2-17H2,1H3
HMDB32111	Adlupone	CCC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	InChI=1S/C31H46O4/c1-11-24(10)26(32)25-27(33)30(16-12-20(2)3,17-13-21(4)5)29(35)31(28(25)34,18-14-22(6)7)19-15-23(8)9/h12-15,24,33H,11,16-19H2,1-10H3
HMDB32110	Litcubine	COC1=CC2=C(C=C1O)[N+]1(C)CCC3=C(C=C(O)C(OC)=C3)C1C2	InChI=1S/C19H21NO4/c1-20-5-4-11-7-18(23-2)16(21)9-13(11)15(20)6-12-8-19(24-3)17(22)10-14(12)20/h7-10,15H,4-6H2,1-3H3,(H-,21,22)/p+1
HMDB03603	CE(10:0)	CCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C	InChI=1S/C37H64O2/c1-7-8-9-10-11-12-13-17-35(38)39-30-22-24-36(5)29(26-30)18-19-31-33-21-20-32(28(4)16-14-15-27(2)3)37(33,6)25-23-34(31)36/h18,27-28,30-34H,7-17,19-26H2,1-6H3
HMDB32116	Helinorbisabone	CC(C(O)\C=C\C(C)=O)C1=CC(O)=C(C)C=C1O	InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3/b5-4+
HMDB03601	(S)-Reticuline	COC1=C(O)C=C(C[C@@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1	InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
HMDB32114	Bis(5-hydroxynoracronycine)	CN1C2=C(C=CC=C2O)C(=O)C2=C1C1=C(OC(C)(C)C=C1)C(C1CC(C)(C)OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(O)=CC=C3)=C2O	InChI=1S/C38H34N2O8/c1-37(2)14-13-19-31-28(34(45)18-10-8-11-21(41)29(18)39(31)5)35(46)26(36(19)48-37)20-16-38(3,4)47-24-15-23(43)27-32(25(20)24)40(6)30-17(33(27)44)9-7-12-22(30)42/h7-15,20,41-43,46H,16H2,1-6H3
HMDB32119	4-Hydroxy-2,6-dimethyl-7-octen-3-one	CC(C)C(=O)C(O)CC(C)C=C	InChI=1S/C10H18O2/c1-5-8(4)6-9(11)10(12)7(2)3/h5,7-9,11H,1,6H2,2-4H3
HMDB32118	2,6-Dimethyl-7-octen-3-one	CC(C)C(=O)CCC(C)C=C	InChI=1S/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-9H,1,6-7H2,2-4H3
HMDB03609	2-Aminoacrylic acid	NC(=C)C(O)=O	InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
HMDB53078	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-32,34,36,38-39,41,56H,4-6,8-9,11-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-
HMDB57421	CL(16:1(9Z)/16:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25-27,29-31,71-73,78H,5-24,28,32-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-/t71?,72-,73-/m1/s1
HMDB57112	CL(18:0/18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57113	CL(18:0/18:1(11Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27,31,33,36,73-75,80H,5-26,28-30,32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,36-33-/t73?,74-,75-/m1/s1
HMDB57110	CL(18:0/18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,26,29-30,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57111	CL(18:0/18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1
HMDB57116	CL(18:0/18:1(11Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27-28,31-33,37,75-77,82H,5-26,29-30,34-36,38-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,32-28-,37-33-/t75?,76-,77-/m1/s1
HMDB57117	CL(18:0/18:1(11Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,34,36,38,40,75-77,82H,5-26,28-30,32-33,35,37,39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,38-34-,40-36-/t75?,76-,77-/m1/s1
HMDB57114	CL(18:0/18:1(11Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,34,38,75-77,82H,5-26,28-30,32-33,35-37,39-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,38-34-/t75?,76-,77-/m1/s1
HMDB57115	CL(18:0/18:1(11Z)/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-33,36,73-75,80H,5-26,29-30,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-,36-33-/t73?,74-,75-/m1/s1
HMDB57118	CL(18:0/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,35,37,39,41,76-78,83H,5-24,26-27,30-31,33-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB47149	TG(24:0/24:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C75H146O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h72H,4-71H2,1-3H3
HMDB55972	DG(14:0/0:0/22:2n6)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,37,40H,3-10,12,14-15,18-36H2,1-2H3/b13-11-,17-16-
HMDB52228	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,42-43,45-46,51,54,66H,4-16,19,22-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB31772	1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol	COC(C(C)O)C1=CC(OC)=C(OC)C=C1OC	InChI=1S/C13H20O5/c1-8(14)13(18-5)9-6-11(16-3)12(17-4)7-10(9)15-2/h6-8,13-14H,1-5H3
HMDB31773	Phytocassane E	CC1C2CCC3C(C)(C)C(=O)CC(O)C3(C)C2C(=O)C=C1C=C	InChI=1S/C20H28O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15,17-18,23H,1,7-8,10H2,2-5H3
HMDB31770	Carbofuran	CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2	InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
HMDB31771	1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione	COC1=CC(OC)=C(OC)C=C1C(=O)C(C)=O	InChI=1S/C12H14O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6H,1-4H3
HMDB31776	(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne	CCCCCCCC1OC1CC#CC#C	InChI=1S/C14H20O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2,13-14H,3,5,7-8,10-12H2,1H3
HMDB31777	Asiminocin	CCCCC(O)CCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-19-30(38)20-15-13-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-12-10-8-6-5-7-9-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB31774	Lucyoside J	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H66O15/c1-37(2)15-21-20-7-8-25-38(3)11-10-27(56-34-32(51)30(49)28(47)22(17-43)54-34)39(4,19-45)24(38)9-12-41(25,6)40(20,5)13-14-42(21,16-26(37)46)36(53)57-35-33(52)31(50)29(48)23(18-44)55-35/h7,19,21-35,43-44,46-52H,8-18H2,1-6H3
HMDB31775	AzI	CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C(O)=O)O1	InChI=1S/C48H74O18/c1-22-33(53)25(52)16-32(61-22)64-31-18-43(2,3)17-24-23-8-9-29-44(4)12-11-30(45(5,21-51)28(44)10-13-47(29,7)46(23,6)14-15-48(24,31)42(59)60)65-41-39(37(57)35(55)27(20-50)63-41)66-40-38(58)36(56)34(54)26(19-49)62-40/h8,24,26-32,34-41,49-51,53-58H,9-21H2,1-7H3,(H,59,60)
HMDB31778	Diflubenzuron	FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1	InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
HMDB31779	Isoprothiolane	CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1	InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
HMDB52225	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,40-41,43,49,52,64H,4-16,19,22-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB35462	Myricetin 3-(6-acetylgalactoside)	CC(=O)OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C23H22O14/c1-7(24)34-6-14-17(30)19(32)20(33)23(36-14)37-22-18(31)15-10(26)4-9(25)5-13(15)35-21(22)8-2-11(27)16(29)12(28)3-8/h2-5,14,17,19-20,23,25-30,32-33H,6H2,1H3
HMDB35463	3,3',4',5,5',7-Hexahydroxyflavone; 7-O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside]	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC3=C(C(O)=C2)C(=O)C(O)=C(O3)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C28H24O17/c29-11-5-10(6-16-18(11)22(37)24(39)26(44-16)8-1-12(30)19(34)13(31)2-8)43-28-25(40)23(38)21(36)17(45-28)7-42-27(41)9-3-14(32)20(35)15(33)4-9/h1-6,17,21,23,25,28-36,38-40H,7H2
HMDB35460	YGM 1B	OCC1OC(OC2=C3C=C(OC4OC(COC(=O)\C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4OC4OC(COC(=O)\C=C\C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C51H52O27/c52-17-34-39(62)42(65)45(68)49(75-34)73-32-15-23(53)14-31-24(32)16-33(47(72-31)22-5-8-27(56)30(59)13-22)74-51-48(44(67)41(64)36(77-51)19-71-38(61)10-4-21-2-7-26(55)29(58)12-21)78-50-46(69)43(66)40(63)35(76-50)18-70-37(60)9-3-20-1-6-25(54)28(57)11-20/h1-16,34-36,39-46,48-52,62-69H,17-19H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1
HMDB35461	YGM 3	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(OC4=CC5=C(OC6OC(CO)C(O)C(O)C6O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)OC(COC(=O)\C=C/C4=CC=C(O)C(O)=C4)C(O)C3O)C(O)C(O)C2O)=CC=C1O	InChI=1S/C52H54O27/c1-70-33-13-22(3-8-28(33)57)5-11-39(61)71-19-36-41(63)44(66)47(69)51(77-36)79-49-45(67)42(64)37(20-72-38(60)10-4-21-2-7-26(55)29(58)12-21)78-52(49)75-34-17-25-31(73-48(34)23-6-9-27(56)30(59)14-23)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)/p+1
HMDB35466	Kaempferol 3-(6-acetylgalactoside)	CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C23H22O12/c1-9(24)32-8-15-17(28)19(30)20(31)23(34-15)35-22-18(29)16-13(27)6-12(26)7-14(16)33-21(22)10-2-4-11(25)5-3-10/h2-7,15,17,19-20,23,25-28,30-31H,8H2,1H3
HMDB35467	Glicophenone	COC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(=O)C1=C(O)C=C(O)C=C1	InChI=1S/C20H22O6/c1-11(2)4-6-14-18(24)10-19(25)15(20(14)26-3)9-17(23)13-7-5-12(21)8-16(13)22/h4-5,7-8,10,21-22,24-25H,6,9H2,1-3H3
HMDB35464	6''-Acetylapiin	CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C28H30O15/c1-12(30)38-9-20-22(34)23(35)24(43-27-25(36)28(37,10-29)11-39-27)26(42-20)40-15-6-16(32)21-17(33)8-18(41-19(21)7-15)13-2-4-14(31)5-3-13/h2-8,20,22-27,29,31-32,34-37H,9-11H2,1H3
HMDB35465	6,8-Di-O-methylaverufin	COC1=CC2=C(C(=O)C3=C(C=C4OC5(C)CCCC(O5)C4=C3O)C2=O)C(OC)=C1	InChI=1S/C22H20O7/c1-22-6-4-5-13(28-22)18-15(29-22)9-12-17(21(18)25)20(24)16-11(19(12)23)7-10(26-2)8-14(16)27-3/h7-9,13,25H,4-6H2,1-3H3
HMDB57504	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-35,37-39,44,48,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-/t75?,76-,77-/m1/s1
HMDB35468	Melilotussaponin O2	CC1OC(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CC(=O)C5(C)CCC43C)C(O)=O)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C47H72O19/c1-20-28(51)30(53)33(56)38(62-20)65-35-29(52)23(49)18-61-39(35)66-36-32(55)31(54)34(37(57)58)64-40(36)63-27-11-12-44(4)24(45(27,5)19-48)10-13-47(7)25(44)9-8-21-22-16-42(2,41(59)60)17-26(50)43(22,3)14-15-46(21,47)6/h8,20,22-25,27-36,38-40,48-49,51-56H,9-19H2,1-7H3,(H,57,58)(H,59,60)
HMDB35469	2-Amino-1,3,4-octadecanetriol, 8CI; (2S,3S,4R)-form, N-(2R-Hydroxydocosanoyl)	CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC	InChI=1S/C40H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38(44)40(46)41-36(35-42)39(45)37(43)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h36-39,42-45H,3-35H2,1-2H3,(H,41,46)
HMDB54101	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,41,44,58H,4-15,18,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-
HMDB54102	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,41,44,58H,4-15,18,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB54103	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,18,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB54104	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,38,41,54H,4-7,9-10,12-15,18,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,41-38-
HMDB54105	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33-34,37-38,41,54H,4-7,9-10,12-15,18,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB02231	Eicosenoic acid	CCCCCCCC\C=C/CCCCCCCCCC(O)=O	InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-
HMDB02230	Nonacosanoic acid	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)
HMDB02232	8,9-Epoxyeicosatrienoic acid	CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-
HMDB02235	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)OC=C2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C20H33NO14/c1-6-11(25)14(28)16(30)19(32-6)35-18-15(29)12(26)10(4-23)33-20(18)34-17-8(21-7(2)24)5-31-9(3-22)13(17)27/h5-6,9-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)/t6-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19-,20-/m0/s1
HMDB02234	1-Pyrroline-4-hydroxy-2-carboxylate	OC1CN=C(C1)C(O)=O	InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9)
HMDB02237	3,4-Dimethylbenzoic acid	CC1=C(C)C=C(C=C1)C(O)=O	InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
HMDB02236	8-iso-PGA1	CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1
HMDB02238	L-Homocysteine sulfonic acid	N[C@@H](CCS)S(O)(=O)=O	InChI=1S/C3H9NO3S2/c4-3(1-2-8)9(5,6)7/h3,8H,1-2,4H2,(H,5,6,7)/t3-/m1/s1
HMDB54107	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,39-40,42-43,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB43123	TG(15:0/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,41,44,57H,4-16,18-19,21-25,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b20-17-,28-26-,35-33-,44-41-
HMDB59247	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-38,42-47,52-56,58,63,66-67,70,85-87,92H,5-9,11-13,15-20,24,29-31,39-41,48-51,57,59-62,64-65,68-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,70-66-/t85?,86-,87-/m1/s1
HMDB57501	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,27-29,31-32,34-37,72-74,79H,5-24,26,30,33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB51558	TG(22:1(13Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,33,38,40,60H,4-6,8-9,11-15,17-18,20,22-23,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,33-31-,40-38-
HMDB51559	TG(22:1(13Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20,22-23,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,33-31-,40-38-,49-46-
HMDB57503	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,27-28,31-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26,29-30,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB51551	TG(22:1(13Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,60H,4-15,17-18,20,22-23,29-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-
HMDB51552	TG(22:1(13Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,33,38,40,60H,4-15,17-18,20,22-23,29-30,32,34-37,39,41-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,33-31-,40-38-
HMDB51553	TG(22:1(13Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,33,38,40,46,49,60H,4-15,17-18,20,22-23,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,33-31-,40-38-,49-46-
HMDB40309	8-Hydroxy-3',4',5',7-tetramethoxyflavan	COC1=CC(=CC(OC)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2	InChI=1S/C19H22O6/c1-21-14-8-6-11-5-7-13(25-18(11)17(14)20)12-9-15(22-2)19(24-4)16(10-12)23-3/h6,8-10,13,20H,5,7H2,1-4H3
HMDB40308	5',8-Dihydroxy-3',4',7-trimethoxyflavan	COC1=C(O)C2=C(CCC(O2)C2=CC(OC)=C(OC)C(O)=C2)C=C1	InChI=1S/C18H20O6/c1-21-14-7-5-10-4-6-13(24-17(10)16(14)20)11-8-12(19)18(23-3)15(9-11)22-2/h5,7-9,13,19-20H,4,6H2,1-3H3
HMDB40307	3,3',4'-Trihydroxyflavone; 3-O-[a-L-Rhamnopyranosyl-(1->2)[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside]	CC1OC(OCC2OC(OC3=C(OC4=C(C=CC=C4)C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O18/c1-11-19(36)23(40)26(43)31(46-11)45-10-18-22(39)25(42)30(51-32-27(44)24(41)20(37)12(2)47-32)33(49-18)50-29-21(38)14-5-3-4-6-17(14)48-28(29)13-7-8-15(34)16(35)9-13/h3-9,11-12,18-20,22-27,30-37,39-44H,10H2,1-2H3
HMDB40306	Morachalcone A	CC(C)=CCC1=C(O)C(=CC=C1O)C(=O)\C=C\C1=C(O)C=C(O)C=C1	InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
HMDB40305	(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone	CC(C)CC\C(C)=C\CC1=C(C=CC(O)=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2	InChI=1S/C24H28O5/c1-14(2)4-5-15(3)6-8-18-17(10-11-20(26)24(18)28)23-13-21(27)19-9-7-16(25)12-22(19)29-23/h6-7,9-12,14,23,25-26,28H,4-5,8,13H2,1-3H3/b15-6+
HMDB40304	Cyclocommunol	CC(C)=CC1OC2=C(C=CC(O)=C2)C2=C1C(=O)C1=C(O2)C=C(O)C=C1O	InChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3
HMDB40303	5-Hydroxy-4,4',6-trimethoxyaurone	COC1=CC=C(\C=C2\OC3=C(C2=O)C(OC)=C(O)C(OC)=C3)C=C1	InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)8-14-16(19)15-12(24-14)9-13(22-2)17(20)18(15)23-3/h4-9,20H,1-3H3/b14-8+
HMDB40302	Ammonium citrate	[NH4+].[NH4+].[NH4+].OC(=O)CC(O)(CC(O)=O)C(O)=O	InChI=1S/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3/p+3
HMDB40300	2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline	CN1C(N)=NC2=CC3=C(N=C(C)C=N3)C(C)=C12	InChI=1S/C12H13N5/c1-6-5-14-8-4-9-11(7(2)10(8)15-6)17(3)12(13)16-9/h4-5H,1-3H3,(H2,13,16)
HMDB03180	Cortol	[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1
HMDB08373	PC(20:3(5Z,8Z,11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,26,28,32,34,46H,6-19,21,23-25,27,29-31,33,35-45H2,1-5H3/b22-20-,28-26-,34-32-/t46-/m1/s1
HMDB08370	PC(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-26,29-32,44H,6-14,16,18-19,23,27-28,33-43H2,1-5H3/b17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
HMDB08371	PC(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24-26,30,32,44H,6-8,10,12-14,16,18-19,23,27-29,31,33-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB08376	PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,26-29,32-35,46H,6-19,24-25,30-31,36-45H2,1-5H3/b22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08377	PC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,26-29,32,34,46H,6-14,16,18-19,24-25,30-31,33,35-45H2,1-5H3/b17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1
HMDB08374	PC(20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,26,28,32,34,46H,6-19,24-25,27,29-31,33,35-45H2,1-5H3/b22-20-,23-21-,28-26-,34-32-/t46-/m1/s1
HMDB08375	PC(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,26,28,32,34,46H,6-14,16,18-19,24-25,27,29-31,33,35-45H2,1-5H3/b17-15-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1
HMDB08378	PC(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,26-29,32-35,46H,6-14,16,18-19,24-25,30-31,36-45H2,1-5H3/b17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08379	PC(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,26-29,32,34,46H,6-8,10,12-14,16,18-19,24-25,30-31,33,35-45H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1
HMDB48085	TG(14:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25-28,51H,4-7,9-10,12-14,16,21,23-24,29-50H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,28-26-
HMDB48087	TG(14:1(9Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-31,53H,4-6,8-9,11-14,17,21-22,25,28,32-52H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-27-,31-30-
HMDB48080	TG(14:1(9Z)/18:2(9Z,12Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-31,53H,4-14,17,21-22,25,28,32-52H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-27-,31-30-
HMDB36056	Mangiferadiol	CC(CC\C=C(/C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H50O2/c1-20(18-31)8-7-9-21(2)22-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)19-30(24,29)17-16-27(22,28)5/h8,21-25,31-32H,7,9-19H2,1-6H3/b20-8+
HMDB48081	TG(14:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-31,37,40,53H,4-14,17,21-22,25,28,32-36,38-39,41-52H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-27-,31-30-,40-37-
HMDB58713	CL(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,46-49,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB48083	TG(14:1(9Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-31,33,36,55H,4-14,17,21-22,25,28,32,34-35,37-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,36-33-
HMDB48089	TG(14:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-31,33,36,55H,4-6,8-9,11-14,17,21-22,25,28,32,34-35,37-54H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,36-33-
HMDB33048	Ethyl 1-(propylthio)propyl disulfide	CCCSC(CC)SSCC	InChI=1S/C8H18S3/c1-4-7-9-8(5-2)11-10-6-3/h8H,4-7H2,1-3H3
HMDB33049	Butyl 1-(methylthio)propyl disulfide	CCCCSSC(CC)SC	InChI=1S/C8H18S3/c1-4-6-7-10-11-8(5-2)9-3/h8H,4-7H2,1-3H3
HMDB33042	Methyl 1-(methylthio)propyl disulfide	CCC(SC)SSC	InChI=1S/C5H12S3/c1-4-5(6-2)8-7-3/h5H,4H2,1-3H3
HMDB33043	Methyl 1-(1-propenylthio)propyl disulfide	CCC(SSC)S\C=C\C	InChI=1S/C7H14S3/c1-4-6-9-7(5-2)10-8-3/h4,6-7H,5H2,1-3H3/b6-4+
HMDB33040	Propyl 1-(propylthio)propyl disulfide	CCCSSC(CC)SCCC	InChI=1S/C9H20S3/c1-4-7-10-9(6-3)12-11-8-5-2/h9H,4-8H2,1-3H3
HMDB33041	1-(1-Propenylthio)propyl propyl disulfide	CCCSSC(CC)S\C=C\C	InChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4,7,9H,5-6,8H2,1-3H3/b7-4+
HMDB33046	Ethyl 1-(methylthio)ethyl disulfide	CCSSC(C)SC	InChI=1S/C5H12S3/c1-4-7-8-5(2)6-3/h5H,4H2,1-3H3
HMDB33047	Ethyl (methylthio)methyl disulfide	CCSSCSC	InChI=1S/C4H10S3/c1-3-6-7-4-5-2/h3-4H2,1-2H3
HMDB33044	1-(Methylthio)propyl propyl disulfide	CCCSSC(CC)SC	InChI=1S/C7H16S3/c1-4-6-9-10-7(5-2)8-3/h7H,4-6H2,1-3H3
HMDB33045	Ethyl 1-(ethylthio)propyl disulfide	CCSSC(CC)SCC	InChI=1S/C7H16S3/c1-4-7(8-5-2)10-9-6-3/h7H,4-6H2,1-3H3
HMDB54072	TG(20:4(5Z,8Z,11Z,14Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,40,43-44,47,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB09139	PE(18:3(6Z,9Z,12Z)/22:1(13Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,27,29,43H,3-11,13,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-,29-27-/t43-/m1/s1
HMDB09138	PE(18:3(6Z,9Z,12Z)/22:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,27,29,43H,3-11,13,15-17,19-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-,29-27-/t43-/m1/s1
HMDB09133	PE(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,41H,3-11,13,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1
HMDB09132	PE(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,25,27,41H,3-10,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,27-25-/t41-/m1/s1
HMDB09131	PE(18:3(6Z,9Z,12Z)/20:1(11Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,25,27,41H,3-11,13,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,27-25-/t41-/m1/s1
HMDB09130	PE(18:3(6Z,9Z,12Z)/20:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,25,27,41H,3-11,13,15-17,19-20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-,27-25-/t41-/m1/s1
HMDB09137	PE(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27-28,30,41H,3-4,6,8-10,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1
HMDB09136	PE(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27,41H,3-4,6,8-10,15-16,20,23,26,28-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-/m1/s1
HMDB09135	PE(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27-28,30,41H,3-10,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1
HMDB09134	PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,41H,3-10,15-16,20,23,26,28-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-/m1/s1
HMDB45478	TG(20:0/14:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB45479	TG(20:0/14:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB45472	TG(18:0/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,35,38,55H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,29-26-,38-35-
HMDB45473	TG(18:0/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-56H2,1-3H3/b10-7-,19-16-,28-25-,35-32-
HMDB45470	TG(18:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,46,49,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-,49-46-
HMDB45471	TG(18:0/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,55H,4-7,9-10,12-16,18-19,21-25,27-28,30-54H2,1-3H3/b11-8-,20-17-,29-26-
HMDB45476	TG(18:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,40-37-,49-46-
HMDB45477	TG(20:0/14:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB45474	TG(18:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-
HMDB45475	TG(18:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,37,40,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,40-37-
HMDB29298	4-O-8',5'-5''-Dehydrotriferulic acid	[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(O\C(=C(\[H])C2=C([H])C(OC([H])([H])[H])=C(O[H])C(=C2[H])C2=C([H])C(\C([H])=C(/[H])C(=O)O[H])=C([H])C(OC([H])([H])[H])=C2O[H])C(=O)O[H])C(OC([H])([H])[H])=C1[H]	InChI=1S/C30H26O12/c1-39-22-12-16(5-8-26(31)32)4-7-21(22)42-25(30(37)38)15-18-11-20(29(36)24(14-18)41-3)19-10-17(6-9-27(33)34)13-23(40-2)28(19)35/h4-15,35-36H,1-3H3,(H,31,32)(H,33,34)(H,37,38)/b8-5+,9-6+,25-15-
HMDB36178	2-(3-Phenylpropyl)tetrahydrofuran	C(CC1CCCO1)CC1=CC=CC=C1	InChI=1S/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2
HMDB29294	Caffeoyl aspartic acid	[H]OC(=O)C([H])([H])C([H])(N([H])C(=O)C(\[H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])C(=O)O[H]	InChI=1S/C13H13NO7/c15-9-3-1-7(5-10(9)16)2-4-11(17)14-8(13(20)21)6-12(18)19/h1-5,8,15-16H,6H2,(H,14,17)(H,18,19)(H,20,21)/b4-2+
HMDB36174	2-Methyl-3-(2-methylpropyl)pyrazine	CC(C)CC1=C(C)N=CC=N1	InChI=1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3
HMDB29296	p-Coumaroyl 3-hydroxytyrosine	[H]OC(=O)C([H])(N([H])C(=O)C([H])=C([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C18H17NO6/c20-13-5-1-11(2-6-13)4-8-17(23)19-14(18(24)25)9-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)/b8-4-
HMDB29297	Avenanthramide A2	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)N([H])C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2C([H])(O[H])O[H])C([H])=C1[H]	InChI=1S/C18H19NO7/c1-25-15-7-10(3-5-13(15)20)4-6-17(22)19-12-9-16(26-2)14(21)8-11(12)18(23)24/h3-9,18,20-21,23-24H,1-2H3,(H,19,22)/b6-4+
HMDB29290	4-Feruloyl-1,5-quinolactone	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)O[C@]2([H])[C@]([H])(O[H])C([H])([H])[C@@]3(O[H])C(=O)O[C@]2([H])C3([H])[H])C([H])=C1[H]	InChI=1S/C17H18O8/c1-23-12-6-9(2-4-10(12)18)3-5-14(20)25-15-11(19)7-17(22)8-13(15)24-16(17)21/h2-6,11,13,15,18-19,22H,7-8H2,1H3/b5-3+/t11-,13-,15-,17+/m1/s1
HMDB36170	2-Benzylidene-1-heptanol	CCCCC\C(CO)=C\C1=CC=CC=C1	InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-
HMDB36173	2-(3-Phenylpropyl)pyridine	C(CC1=CC=CC=C1)CC1=NC=CC=C1	InChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2
HMDB29293	4-p-Coumaroyl-1,5-quinolactone	[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)O[C@]2([H])[C@]([H])(O[H])C([H])([H])[C@@]3(O[H])C(=O)O[C@]2([H])C3([H])[H])C([H])=C1[H]	InChI=1S/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(19)23-14-11(18)7-16(21)8-12(14)22-15(16)20/h1-6,11-12,14,17-18,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1
HMDB57226	CL(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB42279	TG(14:0/14:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18-19,22,44H,4-14,16-17,20-21,23-43H2,1-3H3/b18-15-,22-19-
HMDB42278	TG(14:0/14:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C45H82O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13,15-16,18,42H,4-12,14,17,19-41H2,1-3H3/b16-13-,18-15-
HMDB57227	CL(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB13248	Monoethylhexyl phthalic acid	CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O	InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
HMDB13246	Margaroylglycine	CCCCCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23/h2-17H2,1H3,(H,20,21)(H,22,23)
HMDB13247	Monobutylphthalate	CCCCOC(=O)C1=CC=CC=C1C(O)=O	InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
HMDB13244	Lipid A	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(O)=O	InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1
HMDB13245	m-Methylhippuric acid	CC1=CC(=CC=C1)C(=O)NCC(O)=O	InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
HMDB13243	Leucyl-phenylalanine	CC(C)CC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)
HMDB13240	Indoleacetyl glutamine	NC(=O)CCC(NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)
HMDB42271	TG(14:0/14:1(9Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C45H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,42H,4-14,16-17,19-41H2,1-3H3/b18-15-
HMDB57228	CL(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB42270	TG(14:0/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB51888	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,34,36,42,45,51,54,63H,4-7,9-10,12-14,16,19,21-23,30-33,35,37-41,43-44,46-50,52-53,55-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,36-34-,45-42-,54-51-
HMDB51889	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37-38,41,43,46,52,55,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB57229	CL(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB43140	TG(15:0/24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-
HMDB43141	TG(15:0/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-
HMDB43142	TG(15:0/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h20,23,57H,4-19,21-22,24-56H2,1-3H3/b23-20-
HMDB43143	TG(15:0/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h26,33,57H,4-25,27-32,34-56H2,1-3H3/b33-26-
HMDB43144	TG(15:0/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,59H,4-25,27,29-58H2,1-3H3/b28-26-
HMDB43145	TG(15:0/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,37,43,46,59H,4-25,27,29-34,36,38-42,44-45,47-58H2,1-3H3/b28-26-,37-35-,46-43-
HMDB43146	TG(15:0/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,61H,4-25,27,29-60H2,1-3H3/b28-26-
HMDB43147	TG(15:0/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,63H,4-24,26,28-62H2,1-3H3/b27-25-
HMDB43148	TG(15:0/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-28-26-23-20-17-14-11-8-5-2/h20,23,28,34,58H,4-19,21-22,24-27,29-33,35-57H2,1-3H3/b23-20-,34-28-
HMDB43149	TG(15:0/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,38,41,57H,4-16,18-19,21-25,27-32,34-37,39-40,42-56H2,1-3H3/b20-17-,33-26-,41-38-
HMDB51880	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,37-38,41,43,46-47,50,64H,4-7,10,13-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB51881	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,66H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB36829	Copalic acid	C\C(CCC1C(=C)CCC2C(C)(C)CCCC12C)=C\C(O)=O	InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13-
HMDB36828	Dehydropinifolic acid	C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\C(O)=O	InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12-
HMDB36827	Sclareol	CC(O)(CCC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C	InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3
HMDB36826	Cascarillone	CC1CCC2(C)C(C)CC(=O)CC2C1(C)CCC1=COC=C1	InChI=1S/C20H30O2/c1-14-5-8-20(4)15(2)11-17(21)12-18(20)19(14,3)9-6-16-7-10-22-13-16/h7,10,13-15,18H,5-6,8-9,11-12H2,1-4H3
HMDB36825	Vitisin B	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC3=C2C(C=CO3)=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C25H24O12/c1-32-15-5-10(6-16(33-2)19(15)28)23-24(37-25-22(31)21(30)20(29)17(9-26)36-25)12-3-4-34-13-7-11(27)8-14(35-23)18(12)13/h3-8,17,20-22,25-26,29-31H,9H2,1-2H3,(H-,27,28)/p+1
HMDB36824	Acetal R	CCCOC(C)OCCC1=CC=CC=C1	InChI=1S/C13H20O2/c1-3-10-14-12(2)15-11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
HMDB36823	Theaspirane	CC1CCC2(O1)C(C)=CCCC2(C)C	InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
HMDB36822	4,7-Megastigmadiene-3,9-diol; (3S,7E,9R)-form, 3-Ketone, 9-O-b-D-glucopyranoside	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C	InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+
HMDB36821	3-Hydroxy-beta-ionone	CC(=O)\C=C\C1=C(C)CC(O)CC1(C)C	InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+
HMDB36820	beta-Ionol	CC(O)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+
HMDB46373	TG(22:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,41,44,50,53,64H,4-15,17-18,20-24,26-27,29-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,28-25-,36-33-,44-41-,53-50-
HMDB28918	Isoleucyl-Tryptophan	CCC(C)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C17H23N3O3/c1-3-10(2)15(17(22)23)20-16(21)13(18)8-11-9-19-14-7-5-4-6-12(11)14/h4-7,9-10,13,15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)
HMDB28919	Isoleucyl-Tyrosine	CCC(C)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C15H22N2O4/c1-3-9(2)13(15(20)21)17-14(19)12(16)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)
HMDB34089	Sitoindoside II	CCCCCCCC\C=C\CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(CC)C(C)C)C(O)C(O)C1O	InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h16-17,27,37-39,41-46,48-51,55-57H,8-15,18-26,28-36H2,1-7H3/b17-16+
HMDB34088	beta-Sitosterol palmitate	CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(CC)C(C)C	InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3
HMDB34087	Glyceollin II	CC1(C)OC2=CC3=C(C=C2C=C1)C1OC2=CC(O)=CC=C2C1(O)CO3	InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3
HMDB34086	Dolicholide	CC(C)C(=C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14,16-25,29-32H,3,7-13H2,1-2,4-6H3
HMDB34085	3,4-Dihydroxy-3-hydroxymethylbutanoic acid; Nitrile, 4-O-b-D-glucopyranoside (3R-)	OCC1OC(OCC(O)(CO)CC#N)C(O)C(O)C1O	InChI=1S/C11H19NO8/c12-2-1-11(18,4-14)5-19-10-9(17)8(16)7(15)6(3-13)20-10/h6-10,13-18H,1,3-5H2
HMDB28917	Isoleucyl-Threonine	CCC(C)C(NC(=O)C(N)C(C)O)C(O)=O	InChI=1S/C10H20N2O4/c1-4-5(2)8(10(15)16)12-9(14)7(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)
HMDB34083	Tomatoside A	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H86O24/c1-20(19-67-45-40(63)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-46-42(65)39(62)43(31(18-55)72-46)73-48-44(38(61)35(58)30(17-54)71-48)74-47-41(64)37(60)34(57)29(16-53)70-47/h20-48,52-66H,5-19H2,1-4H3
HMDB34082	Capsicoside A	CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)7-10-63(85)22(2)36-29(98-63)12-26-24-6-5-23-11-28(27(70)13-62(23,4)25(24)8-9-61(26,36)3)87-56-49(83)45(79)51(35(19-69)93-56)94-60-54(53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58)97-59-50(84)52(40(74)33(17-67)91-59)95-57-47(81)43(77)38(72)31(15-65)89-57/h21-60,64-85H,5-20H2,1-4H3
HMDB34081	Brassinolide	[H][C@@]12CC[C@H]([C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])COC(=O)[C@@]2([H])C[C@H](O)[C@H](O)C[C@]12C	InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1
HMDB34080	3-Methyl-1,2-cyclohexanedione	CC1CCCC(=O)C1=O.CC1=C(O)C(=O)CCC1	InChI=1S/2C7H10O2/c2*1-5-3-2-4-6(8)7(5)9/h9H,2-4H2,1H3;5H,2-4H2,1H3
HMDB49538	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,33,35,41,44,50,53,62H,4-16,18-19,22-23,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB07522	DG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,43,46H,3-11,13,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1
HMDB07523	DG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,31,33,43,46H,3-10,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1
HMDB07520	DG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,41,44H,3-5,7,9-10,15-16,21-22,27-28,33-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB34555	(25S)-26-Hydroxy-24-methylenecycloartan-3-one	CC(CCC(=C)C(C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C	InChI=1S/C31H50O2/c1-20(22(3)18-32)8-9-21(2)23-12-14-29(7)25-11-10-24-27(4,5)26(33)13-15-30(24)19-31(25,30)17-16-28(23,29)6/h21-25,32H,1,8-19H2,2-7H3
HMDB34554	Sakacin A	CC(NC(=O)C(N)CC(O)=O)NC(=O)N(C)C(C)(C)C	InChI=1S/C12H24N4O4/c1-7(14-10(19)8(13)6-9(17)18)15-11(20)16(5)12(2,3)4/h7-8H,6,13H2,1-5H3,(H,14,19)(H,15,20)(H,17,18)
HMDB34557	8,8-Diethoxy-2,6-dimethyl-2-octanol	CCOC(CC(C)CCCC(C)(C)O)OCC	InChI=1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3
HMDB07521	DG(20:4(5Z,8Z,11Z,14Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,43,46H,3-11,13,15-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b14-12-,20-18-,27-25-,33-31-/t43-/m0/s1
HMDB34551	Medicagenic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O	InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)
HMDB34550	Maniladiol	CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1	InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3
HMDB34553	Stigmast-5-ene-3,26-diol; (3b,24R,25x)-form, 26-Benzoyl	CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)COC(=O)C1=CC=CC=C1	InChI=1S/C36H54O3/c1-6-26(25(3)23-39-34(38)27-10-8-7-9-11-27)13-12-24(2)31-16-17-32-30-15-14-28-22-29(37)18-20-35(28,4)33(30)19-21-36(31,32)5/h7-11,14,24-26,29-33,37H,6,12-13,15-23H2,1-5H3
HMDB34552	2,3-Dihydroxy-12-oleanene-23,28-dioic acid; (2b,3b)-form, 3-O-b-D-Glucopyranoside	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O	InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)
HMDB07526	DG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,6,8-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1
HMDB34559	Mesembryanthin	COC1=CC(\C=C\C(=O)OC2C(OC3C(O)C(O)C(CO)OC3OC3=C(OC4=C(C(O)=C(OC)C(O)=C4)C3=O)C3=CC=C(O)C(OC)=C3)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)=CC=C1O	InChI=1S/C44H50O25/c1-59-22-10-16(4-7-18(22)47)5-9-27(51)66-41-38(67-42-35(58)33(56)29(52)25(13-45)64-42)21(50)15-62-43(41)69-40-34(57)30(53)26(14-46)65-44(40)68-39-32(55)28-24(12-20(49)37(61-3)31(28)54)63-36(39)17-6-8-19(48)23(11-17)60-2/h4-12,21,25-26,29-30,33-35,38,40-50,52-54,56-58H,13-15H2,1-3H3/b9-5+
HMDB34558	6-Hydroxy-2-bornanone; (1R,4R,6S)-form, O-b-D-Glucopyranoside	CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)C(=O)C2	InChI=1S/C16H26O7/c1-15(2)7-4-9(18)16(15,3)10(5-7)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-8,10-14,17,19-21H,4-6H2,1-3H3
HMDB09543	PE(22:1(13Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1
HMDB38465	Glyphoside	CC(=O)OC1C(O)C(O)C(CO)OC1OC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1	InChI=1S/C23H22O13/c1-8(25)33-22-19(32)17(30)15(7-24)35-23(22)36-21-18(31)16-13(29)5-10(26)6-14(16)34-20(21)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,22-24,26-30,32H,7H2,1H3
HMDB38464	Nelumboside	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)O[C@@H]2C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C27H28O18/c28-6-13-15(33)17(35)19(37)26(42-13)44-23-18(36)20(38)27(45-24(23)25(39)40)43-22-16(34)14-11(32)4-8(29)5-12(14)41-21(22)7-1-2-9(30)10(31)3-7/h1-5,13,15,17-20,23-24,26-33,35-38H,6H2,(H,39,40)/t13-,15-,17+,18-,19-,20-,23+,24+,26+,27-/m1/s1
HMDB38467	Luteolin 7-galactoside	OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2
HMDB38466	5,6,7,8-Tetrahydroxy-3',4'-dimethoxyflavone	COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(O)C(O)=C2O	InChI=1S/C17H14O8/c1-23-9-4-3-7(5-11(9)24-2)10-6-8(18)12-13(19)14(20)15(21)16(22)17(12)25-10/h3-6,19-22H,1-2H3
HMDB38461	1-Isothiocyanato-6-(methylsulfinyl)hexane	CS(=O)CCCCCCN=C=S	InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3
HMDB07524	DG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1
HMDB38463	3-(Isothiocyanatomethyl)-1-methoxy-1H-indole	CON1C=C(CN=C=S)C2=C1C=CC=C2	InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3
HMDB38462	4-Hydroxy-1H-indole-3-acetonitrile	OC1=CC=CC2=C1C(CC#N)=CN2	InChI=1S/C10H8N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4H2
HMDB42792	TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,34,37,52H,4-7,9-10,12-16,18-19,21-23,27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,37-34-
HMDB42793	TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-16,18-19,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB42790	TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25,27,32,35,50H,4-7,9-10,12-16,18,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,20-17-,22-19-,27-25-,35-32-
HMDB09541	PE(22:1(13Z)/24:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,49H,3-17,19,21-48,52H2,1-2H3,(H,55,56)/b20-18-/t49-/m1/s1
HMDB38469	Graveobioside A	OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C(O)=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C26H28O15/c27-7-18-20(33)21(34)22(41-25-23(35)26(36,8-28)9-37-25)24(40-18)38-11-4-14(31)19-15(32)6-16(39-17(19)5-11)10-1-2-12(29)13(30)3-10/h1-6,18,20-25,27-31,33-36H,7-9H2
HMDB38468	Luteolin 4'-glucoside	[H]OC1=C([H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[H])C1=C([H])C([H])=C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C(O[H])=C1[H]	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2
HMDB42794	TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,36,39,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-,39-36-
HMDB42795	TG(14:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,38,41,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-,41-38-
HMDB35505	(5alpha,24(28)Z)-Stigmast-24(28)-en-3-one	C\C=C(\CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,19-20,22,24-27H,8-18H2,1-6H3/b21-7-
HMDB35504	Epicatechin-(4beta->6)-epicatechin-(2beta->7,4beta->8)-epicatechin	OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC=C(O)C(O)=C1)C(O)=C4)C1=CC(O)=C(O)C=C1)C=C2O	InChI=1S/C45H36O18/c46-18-10-27(54)33-30(11-18)60-42(16-2-5-21(48)25(52)8-16)40(58)37(33)34-28(55)14-31-35(39(34)57)38-36-32(63-45(62-31,44(38)59)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)41(61-43(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2
HMDB51180	TG(20:3(5Z,8Z,11Z)/20:2n6/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,23-28,34,36,42,45,58H,4-13,16,19-22,29-33,35,37-41,43-44,46-57H2,1-3H3/b17-14-,18-15-,26-23-,27-24-,28-25-,36-34-,45-42-
HMDB35507	Schidigerasaponin B1	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(=C)CO1	InChI=1S/C44H68O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h19-28,30-41,45-47,49-54H,1,5-17H2,2-4H3
HMDB35506	Schidigeragenin B	CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C23C)OC11CCC(=C)CO1	InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h16-22,24,28H,1,5-14H2,2-4H3
HMDB59373	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,69-70,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB35501	Licoagrochalcone B	COC1=C2C=CC(C)(C)OC2=CC=C1\C=C\C(=O)C1=CC=C(O)C=C1	InChI=1S/C21H20O4/c1-21(2)13-12-17-19(25-21)11-7-15(20(17)24-3)6-10-18(23)14-4-8-16(22)9-5-14/h4-13,22H,1-3H3/b10-6+
HMDB35500	Panaquinquecol 6	CCCCCCCC1OC1C(OC(C)=O)C#CC#CC(O)C=C	InChI=1S/C19H26O4/c1-4-6-7-8-9-13-18-19(23-18)17(22-15(3)20)14-11-10-12-16(21)5-2/h5,16-19,21H,2,4,6-9,13H2,1,3H3
HMDB35503	Pseudoisoeugenol 2-methylbutanoate	CCC(C)C(=O)OC1=C(\C=C\C)C=C(OC)C=C1	InChI=1S/C15H20O3/c1-5-7-12-10-13(17-4)8-9-14(12)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3/b7-5+
HMDB35502	Sambucus nigra Degraded cyanogenic glycosides	COC(=O)C(CO)OC(OC(C#N)C1=CC=CC=C1)C(O)C(=O)OC	InChI=1S/C16H19NO8/c1-22-14(20)12(9-18)25-16(13(19)15(21)23-2)24-11(8-17)10-6-4-3-5-7-10/h3-7,11-13,16,18-19H,9H2,1-2H3
HMDB58258	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB46601	TG(22:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,64H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-
HMDB53288	TG(20:2n6/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,35,38,43,46,56H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,38-35-,46-43-
HMDB53289	TG(20:2n6/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-24-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,53H,4-12,14-15,17-21,23-24,26-52H2,1-3H3/b16-13-,25-22-
HMDB53286	TG(20:2n6/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,33,38,41,54H,4-6,8-9,11-13,15,18,20-22,24,28-30,32,34-37,39-40,42-53H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,33-31-,41-38-
HMDB53287	TG(20:2n6/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,35,38,56H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-34,36-37,39-55H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,38-35-
HMDB53284	TG(20:2n6/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,33,35,52H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-32,34,36-51H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-,35-33-
HMDB53285	TG(20:2n6/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,33,54H,4-6,8-9,11-13,15,18,20-22,24,28-30,32,34-53H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,33-31-
HMDB53282	TG(20:2n6/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,35,38,43,46,56H,4-13,15,18,20-22,24,28-29,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,38-35-,46-43-
HMDB53283	TG(20:2n6/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,52H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-51H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-
HMDB53280	TG(20:2n6/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,56H,4-13,15,18,20-22,24,28-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-
HMDB53281	TG(20:2n6/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,35,38,56H,4-13,15,18,20-22,24,28-29,32-34,36-37,39-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,38-35-
HMDB10203	13-HOTE	CC\C=C/CC(O)\C=C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
HMDB10202	12-HEPE	CC\C=C/C\C=C/CC(O)\C=C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+
HMDB10201	12,13-DiHODE	CC\C=C/CC(O)C(O)C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3,8,10-11,16-17,19-20H,2,4-7,9,12-15H2,1H3,(H,21,22)/b10-3-,11-8-
HMDB10200	A-12(13)-EpODE	CC\C=C/CC1OC1C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-
HMDB10207	L-Rhamnulose	C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO	InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6+/m0/s1
HMDB10206	15(16)-EpODE	CCC1OC1C\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-16-17(21-16)14-12-10-8-6-4-3-5-7-9-11-13-15-18(19)20/h4,6,10,12,16-17H,2-3,5,7-9,11,13-15H2,1H3,(H,19,20)/b6-4-,12-10-
HMDB10205	14,15-EpETE	CC\C=C/CC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,12-3-,13-10-
HMDB10204	14,15-DiHETE	CC\C=C/CC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,12-3-,13-10-
HMDB10209	15-HEPE	CC\C=C/C(O)C\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h3-5,8-12,14,16,19,21H,2,6-7,13,15,17-18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,14-12+,16-3-
HMDB10208	15,16-DiHODE	CCC(O)C(O)C\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h4,6,10,12,16-17,19-20H,2-3,5,7-9,11,13-15H2,1H3,(H,21,22)/b6-4-,12-10-
HMDB51262	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,64H,4-6,8-9,11-15,18,21-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB47452	TG(24:0/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-
HMDB52889	TG(18:3(6Z,9Z,12Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,32,34,36,39,56H,4-15,18,21-24,27,29,31,33,35,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,34-32-,39-36-
HMDB52888	TG(18:3(6Z,9Z,12Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16-17,20,22,25-26,29,35,38,55H,4-12,14-15,18-19,21,23-24,27-28,30-34,36-37,39-54H2,1-3H3/b16-13-,20-17-,25-22-,29-26-,38-35-
HMDB52883	TG(18:3(6Z,9Z,12Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33-34,37-38,41,54H,4-6,8-9,11-15,18,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB52882	TG(18:3(6Z,9Z,12Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33-34,37,54H,4-6,8-9,11-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-
HMDB52881	TG(18:3(6Z,9Z,12Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32-33,35-36,52H,4-6,8-9,11-15,18,21-24,29-31,34,37-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-
HMDB52880	TG(18:3(6Z,9Z,12Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,33,36,52H,4-6,8-9,11-15,18,21-24,29-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,36-33-
HMDB52887	TG(18:3(6Z,9Z,12Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,54H,4-15,18,21-24,27,30-33,36,39-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-
HMDB51263	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-6,8-9,11-15,18,21-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB52885	TG(18:3(6Z,9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35-37,39,43,46,56H,4-6,8-9,11-15,18,21-24,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-
HMDB52884	TG(18:3(6Z,9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35-37,39,56H,4-6,8-9,11-15,18,21-24,28,32-34,38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-
HMDB47453	TG(24:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,42-43,45-46,52,55,66H,4-16,19,22-25,28,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-
HMDB51260	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-37,39-41,44,46,49,62H,4-7,9-10,12-15,18,21-24,31,33-34,38,42-43,45,47-48,50-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-
HMDB46734	TG(22:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,43,46,58H,4-16,18-19,22-23,25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,24-21-,28-26-,37-34-,46-43-
HMDB49959	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,17-18,20-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB49958	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8-9,11-15,17-18,20-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB46735	TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,36,39,45,48,60H,4-16,18-19,22-23,25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,24-21-,29-26-,39-36-,48-45-
HMDB49955	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-32,35-36,39,41,44,56H,4-7,9-10,12-16,18-19,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB49954	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-32,35,41,44,56H,4-7,9-10,12-16,18-19,21-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,35-32-,44-41-
HMDB49122	TG(18:1(11Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,53H,4-12,14-15,17-19,21,24,26-52H2,1-3H3/b16-13-,23-20-,25-22-
HMDB49956	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-34,36-37,43,46,58H,4-6,8-9,11-15,17-18,20-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB49951	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34,36,39,45,48,60H,4-15,17-18,20-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB46736	TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,39,45,48,60H,4-16,18-19,21-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,29-26-,34-27-,39-36-,48-45-
HMDB49953	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-15,17-18,20-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB49952	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,36,38-39,41,45,48,60H,4-15,17-18,20-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB46737	TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,47,50,62H,4-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,50-47-
HMDB46730	TG(22:0/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,61H,4-16,18-19,21-25,27-28,30-35,37-38,40-60H2,1-3H3/b20-17-,29-26-,39-36-
HMDB46602	TG(22:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,47,50,64H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,50-47-
HMDB46731	TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,49,52,64H,4-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,30-27-,43-40-,52-49-
HMDB46733	TG(22:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,33,35,41,44,56H,4-14,16,19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,20-17-,27-25-,35-33-,44-41-
HMDB50029	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-32,34,38,41,56H,4-15,17,20,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-
HMDB50028	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,18,21-22,25-27,29-30,37,40,55H,4-12,14-15,17,19-20,23-24,28,31-36,38-39,41-54H2,1-3H3/b16-13-,21-18-,25-22-,29-26-,30-27-,40-37-
HMDB51266	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-16,18-19,21-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB50681	TG(20:1(11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,36,39,45,48,62H,4-15,17-18,20-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB50680	TG(20:1(11Z)/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,62H,4-15,17-18,20-24,31-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-
HMDB47456	TG(24:0/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,40-41,43,64H,4-7,9-10,12-16,19,22-25,28,31-37,39,42,44-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-
HMDB50687	TG(20:1(11Z)/22:2(13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,36,39,62H,4-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-
HMDB50686	TG(20:1(11Z)/22:2(13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,61H,4-14,17,20-23,30-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-
HMDB51267	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-16,18-19,21-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB58459	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB50021	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,39,54H,4-17,19-20,22-24,31-35,37-38,40-53H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-
HMDB50020	TG(18:1(9Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,22,27-28,30-31,56H,4-18,20-21,23-26,29,32-55H2,1-3H3/b22-19-,30-27-,31-28-
HMDB50026	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-19,21-22,26-31,37,40,55H,4-17,20,23-25,32-36,38-39,41-54H2,1-3H3/b21-18-,22-19-,29-26-,30-27-,31-28-,40-37-
HMDB51264	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB51265	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-15,17-18,20-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB54738	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,36,39,59H,4-15,17-18,20-24,26,29-30,34-35,37-38,40-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,39-36-
HMDB12195	Beta-L-arabinose 1-phosphate	O[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O	InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1
HMDB12194	Beta-D-ribopyranose	O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
HMDB12197	Canavaninosuccinate	NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)
HMDB12196	Campest-4-en-3-one	CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20-,23?,24?,25?,26?,27+,28-/m1/s1
HMDB12190	Arsenate	O[As](O)(O)=O	InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)
HMDB12199	Chorismate	O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O	InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
HMDB57507	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB54732	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-33,36,39,58H,4-7,9-10,12-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-
HMDB54272	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41-42,44-45,58H,4-6,8,11,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB41815	6-sulfatoxymelatonin	COC1=C(OS(O)(=O)=O)C=C2NC=C(CCN=C(C)O)C2=C1	InChI=1S/C13H16N2O6S/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)(H,17,18,19)
HMDB41817	7-aminoclonazepam	NC1=CC2=C(C=C1)N=C(O)CN=C2C1=CC=CC=C1Cl	InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)
HMDB41810	4-chlorocatechol	OC1=C(O)C=C(Cl)C=C1	InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
HMDB41812	6-acetylmorphine	CN1CCC23C4OC5=C(O)C=CC(CC1C2C=CC4OC(C)=O)=C35	InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3
HMDB41813	6-demethylgriseofulvin	COC1=C2C(=O)C3(OC2=C(Cl)C(O)=C1)C(C)CC(=O)C=C3OC	InChI=1S/C16H15ClO6/c1-7-4-8(18)5-11(22-3)16(7)15(20)12-10(21-2)6-9(19)13(17)14(12)23-16/h5-7,19H,4H2,1-3H3
HMDB41818	7-aminoflunitrazepam	CN1C2=C(C=C(N)C=C2)C(=NCC1=O)C1=CC=CC=C1F	InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3
HMDB41819	7-aminonitrazepam	NC1=CC2=C(C=C1)N=C(O)CN=C2C1=CC=CC=C1	InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
HMDB12228	Ethylphosphate	CCOP(O)(O)=O	InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)
HMDB54273	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB12223	E-Phenylitaconyl-CoA	OC(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N)C(=O)NCCC(=O)NCCSC(=O)C(\CC(=O)O)=C\C1=CC=CC=C1	InChI=1S/C32H44N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,12,16-17,20,24-26,30,43-44H,8-11,13-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-12+/t20-,24-,25-,26?,30-/m1/s1
HMDB12222	dTDP-4-acetamido-4,6-dideoxy-D-galactose	C[C@H]1OC(OP(O)(=O)OP(O)(=O)OCC2OC(CC2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)C1NC(C)=O	InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10?,11?,12?,13?,14+,15-,17?/m1/s1
HMDB12221	Dopaxanthin	OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O	InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1
HMDB12220	Dopaxanthin quinone	OC(=O)C(CC1=CC(=O)C(=O)C=C1)\N=C\C=C1/CC(NC(=C1)C(O)=O)C(O)=O	InChI=1S/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4+
HMDB12227	Erythrohydrobupropion	CC(NC(C)(C)C)C(O)C1=CC(Cl)=CC=C1	InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3
HMDB12226	Entacapone	CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N	InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
HMDB12225	Enol-phenylpyruvate	OC(=O)C(\O)=C\C1=CC=CC=C1	InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-
HMDB12224	Emopamil	CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1	InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3
HMDB05935	Androstenol	[H][C@@]12CC=C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
HMDB53708	TG(20:3n6/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,60H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-
HMDB56559	CL(16:0/16:1(9Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27,31,33-34,69-71,76H,5-26,28-30,32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,34-33-/t69?,70-,71-/m1/s1
HMDB56558	CL(16:0/16:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25,28-29,32,34,36,71-73,78H,5-24,26-27,30-31,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB53703	TG(20:3n6/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,62H,4-15,18,21-24,27,30-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-
HMDB53702	TG(20:3n6/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,43,46,60H,4-15,18,21-24,27,30-33,36,39-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB53701	TG(20:3n6/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,60H,4-15,18,21-24,27,30-33,36,39-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-
HMDB53700	TG(20:3n6/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,34,57H,4-15,17-18,20-24,26-27,29-31,33,35-56H2,1-3H3/b19-16-,28-25-,34-32-
HMDB53707	TG(20:3n6/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,36,38,41,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34-35,37,39-40,42-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-
HMDB53706	TG(20:3n6/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,36,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34-35,37-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,36-33-
HMDB53705	TG(20:3n6/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35-36,39-40,43,49,52,62H,4-15,18,21-24,27,30-31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,52-49-
HMDB53704	TG(20:3n6/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35-36,39-40,43,62H,4-15,18,21-24,27,30-31,33-34,37-38,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-
HMDB54270	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,36,39-40,43,56H,4-7,10,13-15,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB50243	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-35,38-39,42,44,47,60H,4-6,8-9,11-15,17-18,20-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB50242	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,39,42,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,42-39-
HMDB50241	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-28,30-33,37,40,58H,4-6,8-9,11-15,17-18,20-24,29,34-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,40-37-
HMDB50240	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,35,41,44,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,35-32-,44-41-
HMDB50247	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-33,37-38,40-41,58H,4-6,8-9,11-15,18,21-24,29,34-36,39,42-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-
HMDB50246	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-34,38,41,59H,4-6,8-9,11-15,17-18,21-22,24,26,30,35-37,39-40,42-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-
HMDB50245	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,37-38,43,46,64H,4-7,9-10,12-16,18-19,21-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,38-27-,46-43-
HMDB50244	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,33,35-36,41,44,62H,4-7,9-10,12-16,18-19,21-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-
HMDB50249	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,38-39,42,60H,4-6,8-9,11-15,18,21-24,30,32,36-37,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-
HMDB50248	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31-33,38,41,59H,4-6,8-9,11-13,15,18,20-22,24,29-30,34-37,39-40,42-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,41-38-
HMDB54953	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB54952	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,51,54,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB54271	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,42,45,58H,4-6,8,11,13-15,22-24,30-31,37-41,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-
HMDB54950	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,40,43,49,52,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,52-49-
HMDB54957	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-16,19,22-25,28,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-
HMDB54956	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,40,43,49,52,63H,4-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,35-33-,43-40-,52-49-
HMDB54955	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB54954	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,53,56,66H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-52,54-55,57-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,56-53-
HMDB54959	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,44-45,47,51,54,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-
HMDB54958	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,45,51,54,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,54-51-
HMDB53013	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,30-32,35-37,39-41,44,56H,4-16,19,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB53012	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31,37,40,57H,4-17,19-20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b21-18-,28-25-,31-27-,40-37-
HMDB53011	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,40-41,43,47,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-,50-47-
HMDB47484	TG(24:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,47,50,63H,4-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b20-17-,29-26-,41-38-,50-47-
HMDB54276	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-45,58H,4-8,10-11,13-15,22-24,30-31,37-39,46-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB47142	TG(24:0/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-63H2,1-3H3/b12-9-,21-18-,38-27-
HMDB53010	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,40-41,43,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39,42,44-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-
HMDB53017	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34,36,39-40,43,45,48,60H,4-15,17,20,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB53016	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-34,36-38,41-43,45-46,58H,4-15,17,20,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB53015	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-34,36-38,41,43,46,58H,4-15,17,20,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB53014	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,31,33,36-37,40,42,45,57H,4-13,15-16,19-20,22,24,29-30,32,34-35,38-39,41,43-44,46-56H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-,45-42-
HMDB54277	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,37,42-43,45-46,60H,4-8,10-11,13-15,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB11758	Cer(d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC	InChI=1S/C30H61NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h28-29,32-33H,3-27H2,1-2H3,(H,31,34)/t28-,29+/m0/s1
HMDB11759	Cer(d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC	InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
HMDB11753	Iminodiacetate	OC(=O)CNCC(O)=O	InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
HMDB11750	Dihydroxyacetone Phosphate Acyl Ester	OP(O)(=O)OCC(=O)COC=O	InChI=1S/C4H7O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3H,1-2H2,(H2,7,8,9)
HMDB11751	3-Methoxybenzenepropanoic acid	COC1=CC(CCC(O)=O)=CC=C1	InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
HMDB11756	N-Acetylleucine	CC(C)C[C@H](NC(C)=O)C(O)=O	InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
HMDB11757	N-Acetylvaline	CC(C)C(NC(C)=O)C(O)=O	InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)
HMDB11754	Methyldopa	C[C@](N)(CC1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1
HMDB52078	TG(24:1(15Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,35-36,61H,4-19,21-22,24,26,30-34,37-60H2,1-3H3/b23-20-,28-25-,35-27-,36-29-
HMDB52079	TG(24:1(15Z)/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,25-28,34-35,40,43,60H,4-16,18-19,21-24,29-33,36-39,41-42,44-59H2,1-3H3/b20-17-,28-25-,34-26-,35-27-,43-40-
HMDB52072	TG(24:1(15Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,37,39,62H,4-7,9-10,12-16,18-19,22-23,27,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,39-37-
HMDB52073	TG(24:1(15Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,37,39,45,48,62H,4-7,9-10,12-16,18-19,22-23,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,39-37-,48-45-
HMDB52070	TG(24:1(15Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,34,60H,4-7,9-10,12-16,18-19,22-23,27,29-33,35-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,34-26-
HMDB52071	TG(24:1(15Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,34,40,43,60H,4-7,9-10,12-16,18-19,22-23,27,29-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,34-26-,43-40-
HMDB52076	TG(24:1(15Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h21,24-25,28,61H,4-20,22-23,26-27,29-60H2,1-3H3/b24-21-,28-25-
HMDB52077	TG(24:1(15Z)/18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-29,40,66H,4-24,30-39,41-65H2,1-3H3/b28-25-,29-26-,40-27-
HMDB52074	TG(24:1(15Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,41,44,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,44-41-
HMDB52075	TG(24:1(15Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,41,44,50,53,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,44-41-,53-50-
HMDB01109	Glucosamine-1P	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OP(O)(O)=O	InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
HMDB01106	3-Aminopropionaldehyde	NCCC=O	InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2
HMDB01107	7-Methylguanosine	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2	InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
HMDB01104	N-Acetyl-b-glucosaminylamine	CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
HMDB01101	p-Anisic acid	COC1=CC=C(C=C1)C(O)=O	InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
HMDB57732	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-20,23-24,29-30,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB57733	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,36-37,40-43,49-50,53-54,61,65,81-83,88H,5-9,11-13,15-20,23-24,29-30,35,38-39,44-48,51-52,55-60,62-64,66-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-/t81?,82-,83-/m1/s1
HMDB57730	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,29,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57731	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-20,22-24,27,29,31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57736	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-41,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57737	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-44,49-50,53-54,61-62,65-66,81-83,88H,5-20,23-24,27,29-31,38-39,45-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB40028	1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-2-propen-1-one	C=CC(=O)C1=CC=C2CCCN12	InChI=1S/C10H11NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h2,5-6H,1,3-4,7H2
HMDB40029	2,3-Dihydro-5-methyl-1H-pyrrolizine-7-carboxaldehyde	CC1=CC(C=O)=C2CCCN12	InChI=1S/C9H11NO/c1-7-5-8(6-11)9-3-2-4-10(7)9/h5-6H,2-4H2,1H3
HMDB40026	2,3-Dihydro-5,6-dimethyl-1H-pyrrolizine-7-carboxaldehyde	CC1=C(C)C(C=O)=C2CCCN12	InChI=1S/C10H13NO/c1-7-8(2)11-5-3-4-10(11)9(7)6-12/h6H,3-5H2,1-2H3
HMDB40027	1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone	CC(=O)C1=C2CCCN2C(C)=C1C	InChI=1S/C11H15NO/c1-7-8(2)12-6-4-5-10(12)11(7)9(3)13/h4-6H2,1-3H3
HMDB40024	5-Acetyl-2,3-dihydro-6-methyl-1H-pyrrolizine	CC(=O)C1=C(C)C=C2CCCN12	InChI=1S/C10H13NO/c1-7-6-9-4-3-5-11(9)10(7)8(2)12/h6H,3-5H2,1-2H3
HMDB40025	1-(2,3-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone	CC(=O)C1=C2CCCN2C(C)=C1	InChI=1S/C10H13NO/c1-7-6-9(8(2)12)10-4-3-5-11(7)10/h6H,3-5H2,1-2H3
HMDB40022	2,3-Dihydro-5-propanoyl-1H-pyrrolizine	CCC(=O)C1=CC=C2CCCN12	InChI=1S/C10H13NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h5-6H,2-4,7H2,1H3
HMDB40023	5-Acetyl-2,3-dihydro-7-methyl-1H-pyrrolizine	CC(=O)C1=CC(C)=C2CCCN12	InChI=1S/C10H13NO/c1-7-6-10(8(2)12)11-5-3-4-9(7)11/h6H,3-5H2,1-2H3
HMDB40020	5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine	CC(=O)C1=C(C)C(C)=C2CCCN12	InChI=1S/C11H15NO/c1-7-8(2)11(9(3)13)12-6-4-5-10(7)12/h4-6H2,1-3H3
HMDB40021	2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine	OCCC(=O)C1=CC=C2CCCN12	InChI=1S/C10H13NO2/c12-7-5-10(13)9-4-3-8-2-1-6-11(8)9/h3-4,12H,1-2,5-7H2
HMDB48233	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,33,36,42,45,54H,4-14,17,20-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,36-33-,45-42-
HMDB48232	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,42,45,54H,4-14,17,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,45-42-
HMDB48231	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,34,40,43,52H,4-14,17,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-
HMDB48230	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-19,23-24,26-27,29,32,38,41,50H,4-13,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,32-29-,41-38-
HMDB48237	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,35,39,42,48,51,60H,4-14,16,19,21-23,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,35-32-,42-39-,51-48-
HMDB06779	Indole-5,6-quinone	O=C1C=C2NC=CC2=CC1=O	InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H
HMDB48235	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-14,17,20-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB48234	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,44,47,56H,4-14,17,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,47-44-
HMDB06774	16a-Hydroxyandrost-4-ene-3,17-dione	[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1
HMDB48239	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-36,38,42,45,54H,4-14,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-
HMDB48238	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-31,34,37,43,46,55H,4-14,17,21-22,25,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-,46-43-
HMDB06770	5b-Dihydrotestosterone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
HMDB06771	7a-Hydroxyandrost-4-ene-3,17-dione	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C	InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1
HMDB06772	Adrenosterone	[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
HMDB06773	11b-Hydroxyandrost-4-ene-3,17-dione	[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
HMDB55392	TG(18:4(6Z,9Z,12Z,15Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,39,42,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,33-27-,42-39-
HMDB55393	TG(18:4(6Z,9Z,12Z,15Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,34-35,40-41,43-44,60H,4-7,10,13-16,19,22-25,28-33,36-39,42,45-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,43-40-,44-41-
HMDB55390	TG(18:4(6Z,9Z,12Z,15Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,40,42-43,45,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-
HMDB55391	TG(18:4(6Z,9Z,12Z,15Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,40,42-43,45,49,52,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB55396	TG(18:4(6Z,9Z,12Z,15Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,42,44-45,47,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-
HMDB55397	TG(18:4(6Z,9Z,12Z,15Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,42,44-45,47,51,54,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-
HMDB55394	TG(18:4(6Z,9Z,12Z,15Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,40,42,45,62H,4-7,10,13-16,19,22-25,28,30-35,38-39,41,43-44,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-
HMDB55395	TG(18:4(6Z,9Z,12Z,15Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,40,42,45-46,49,62H,4-7,10,13-16,19,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB55398	TG(18:4(6Z,9Z,12Z,15Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,41,44,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,35-27-,44-41-
HMDB55399	TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H84O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,31-34,50H,4-6,9,12-14,21-23,28-30,35-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-
HMDB04682	11(R)-HETE	CCCCC\C=C/C=C\[C@H](O)C\C=C/C\C=C\CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7-,14-11-,16-13-/t19-/m0/s1
HMDB54044	TG(20:4(5Z,8Z,11Z,14Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,38,41,55H,4-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b19-16-,27-25-,33-30-,41-38-
HMDB04680	16(R)-HETE	CCCC[C@@H](O)\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m1/s1
HMDB54046	TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,37,43,46,60H,4-15,18,21-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-35-,46-43-
HMDB04686	8-Isoprostaglandin E1	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,19+/m0/s1
HMDB54040	TG(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB04684	11,12,15-THETA	CCCCC[C@H](O)\C=C\C(O)C(O)C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1
HMDB04685	13,14-Dihydro-15-keto PGF2a	CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1
HMDB04688	Hepoxilin A3	CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
HMDB58670	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB54048	TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-15,18,21-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB40794	5-Hydroxy-4-methoxy-6-canthinone 3-N-oxide	COC1=C(O)C(=O)N2C3=CC=CC=C3C3=C2C1=N(=O)C=C3	InChI=1S/C15H10N2O4/c1-21-14-12-11-9(6-7-16(12)20)8-4-2-3-5-10(8)17(11)15(19)13(14)18/h2-7,18H,1H3
HMDB40795	7'-O-Methylmarmin	COC(C)(C)C(O)CC\C(C)=C\COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C20H26O5/c1-14(5-9-18(21)20(2,3)23-4)11-12-24-16-8-6-15-7-10-19(22)25-17(15)13-16/h6-8,10-11,13,18,21H,5,9,12H2,1-4H3/b14-11+
HMDB40796	6'-O-Formylmarmin	C\C(CCC(OC=O)C(C)(C)O)=C/COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C20H24O6/c1-14(4-8-18(25-13-21)20(2,3)23)10-11-24-16-7-5-15-6-9-19(22)26-17(15)12-16/h5-7,9-10,12-13,18,23H,4,8,11H2,1-3H3/b14-10+
HMDB40797	10-Hydroxy-8-decene-4,6-diynoic acid; (Z)-form, Me ester, O-b-D-glucopyranoside	COC(=O)CCC#CC#C\C=C/COC1OC(CO)C(O)C(O)C1O	InChI=1S/C17H22O8/c1-23-13(19)9-7-5-3-2-4-6-8-10-24-17-16(22)15(21)14(20)12(11-18)25-17/h6,8,12,14-18,20-22H,7,9-11H2,1H3/b8-6-
HMDB40790	4-Methoxybrassinin	COC1=CC=CC2=C1C(CNC(=S)SC)=CN2	InChI=1S/C12H14N2OS2/c1-15-10-5-3-4-9-11(10)8(6-13-9)7-14-12(16)17-2/h3-6,13H,7H2,1-2H3,(H,14,16)
HMDB40791	Acrimarine N	COC1=CC2=C(C=CC(=O)O2)C=C1C(C=C(C)C)C1=C(O)C2=C(C=C1OC)N(C)C1=C(C=CC(OC)=C1OC)C2=O	InChI=1S/C32H31NO8/c1-16(2)12-20(19-13-17-8-11-26(34)41-23(17)15-24(19)38-5)27-25(39-6)14-21-28(31(27)36)30(35)18-9-10-22(37-4)32(40-7)29(18)33(21)3/h8-15,20,36H,1-7H3
HMDB40792	Dihydroxyacidissiminol	C\C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C(O)CC(O)C(C)(C)O	InChI=1S/C25H33NO5/c1-18(22(27)17-23(28)25(2,3)30)14-16-31-21-11-9-19(10-12-21)13-15-26-24(29)20-7-5-4-6-8-20/h4-12,14,22-23,27-28,30H,13,15-17H2,1-3H3,(H,26,29)/b18-14+
HMDB40793	Acidissiminol epoxide	C\C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C(O)CC1OC1(C)C	InChI=1S/C25H31NO4/c1-18(22(27)17-23-25(2,3)30-23)14-16-29-21-11-9-19(10-12-21)13-15-26-24(28)20-7-5-4-6-8-20/h4-12,14,22-23,27H,13,15-17H2,1-3H3,(H,26,28)/b18-14+
HMDB51675	TG(22:1(13Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35-36,38,61H,4-7,9-10,12-16,18-19,22-23,27,31-34,37,39-60H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-30-,38-36-
HMDB51674	TG(22:1(13Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,33-34,39,42,59H,4-8,10-11,13-17,19,22,24,26,30-32,35-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-,34-29-,42-39-
HMDB51677	TG(22:1(13Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33,35,37,40,43,63H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,34,36,38-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,37-30-,43-40-
HMDB51676	TG(22:1(13Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35-36,38,44,47,61H,4-7,9-10,12-16,18-19,22-23,27,31-34,37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-30-,38-36-,47-44-
HMDB40798	5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione	COC1=C(O)C(=O)N2C3=CC=CC=C3C3=CC(=O)N(C)C1=C23	InChI=1S/C16H12N2O4/c1-17-11(19)7-9-8-5-3-4-6-10(8)18-12(9)13(17)15(22-2)14(20)16(18)21/h3-7,20H,1-2H3
HMDB40799	11-Hydroxytubotaiwine	CCC1C2N3CCC22C(NC4=CC(O)=CC=C24)=C(C1CC3)C(=O)OC	InChI=1S/C20H24N2O3/c1-3-12-13-6-8-22-9-7-20(18(12)22)14-5-4-11(23)10-15(14)21-17(20)16(13)19(24)25-2/h4-5,10,12-13,18,21,23H,3,6-9H2,1-2H3
HMDB51673	TG(22:1(13Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,33-34,59H,4-8,10-11,13-17,19,22,24,26,30-32,35-58H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-,34-29-
HMDB51672	TG(22:1(13Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33,35,37,40,43,49,52,63H,4-15,17-18,20,22-23,27,31-32,34,36,38-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,37-30-,43-40-,52-49-
HMDB07799	DG(24:0/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,43,46H,3-11,13,15-17,19-24,26-42H2,1-2H3/b14-12-,25-18-/t43-/m0/s1
HMDB07798	DG(24:0/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h18,25,43,46H,3-17,19-24,26-42H2,1-2H3/b25-18-/t43-/m0/s1
HMDB09339	PE(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33,45H,3-10,12,14-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1
HMDB09338	PE(20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,25,27,31,33,45H,3-10,12,14-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
HMDB09335	PE(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,23-26,29-32,43H,3-5,7,9-11,13,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09334	PE(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,23-26,29,31,43H,3-5,7,9-11,13,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1
HMDB09337	PE(20:3(5Z,8Z,11Z)/22:1(13Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,25,27,31,33,45H,3-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
HMDB09336	PE(20:3(5Z,8Z,11Z)/22:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,25,27,31,33,45H,3-17,19,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b20-18-,27-25-,33-31-/t45-/m1/s1
HMDB09331	PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,29-32,43H,3-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09330	PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23,25,29,31,43H,3-11,13,15-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1
HMDB09333	PE(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29-32,43H,3-11,13,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09332	PE(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29,31,43H,3-11,13,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1
HMDB35939	Squamone	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(=O)CCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28,30-34,38-39H,3-26H2,1-2H3
HMDB58676	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-9,11-13,15-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB35930	gamma-Taraxastane-3,20-diol	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1(C)O	InChI=1S/C30H52O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h19-24,31-32H,9-18H2,1-8H3
HMDB35931	Rheochrysin	COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C(=O)C3=C(O)C=C(C)C=C3C(=O)C2=C1	InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1
HMDB35934	Isoalantolactone	CC12CCCC(=C)C1CC1C(C2)OC(=O)C1=C	InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3
HMDB35935	Dihydroisoalantolactone	CC1C2CC3C(=C)CCCC3(C)CC2OC1=O	InChI=1S/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10-13H,1,4-8H2,2-3H3
HMDB02451	7b,12a-Dihydroxycholanoic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1
HMDB02453	4-Deoxythreonic acid	C[C@@H](O)[C@H](O)C(O)=O	InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1
HMDB02455	Pyruvatoxime	C\C(=N/O)C(O)=O	InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+
HMDB02457	Nickel	[Ni++]	InChI=1S/Ni/q+2
HMDB48498	TG(16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,34,37,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,37-34-
HMDB48497	TG(16:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,41-38-
HMDB48496	TG(16:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-
HMDB48495	TG(16:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,33,36,52H,4-6,8-9,11-15,17-18,20,22-23,26,28-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,36-33-
HMDB48494	TG(16:1(9Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,52H,4-6,8-9,11-15,17-18,20,22-23,26,28-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-
HMDB48493	TG(16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,34,37,43,46,56H,4-15,17-18,20,22-23,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,37-34-,46-43-
HMDB48492	TG(16:1(9Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,34,37,56H,4-15,17-18,20,22-23,26,28,31-33,35-36,38-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,37-34-
HMDB48491	TG(16:1(9Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,56H,4-15,17-18,20,22-23,26,28-55H2,1-3H3/b19-16-,24-21-,27-25-
HMDB41771	Quercetin 3-O-glucosyl-rutinoside	[H]OC1=C([H])C2=C(C(O[H])=C1[H])C(=O)C(O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])=C(O2)C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C33H40O21/c1-9-28(53-32-25(45)22(42)19(39)16(7-34)51-32)24(44)27(47)31(49-9)48-8-17-20(40)23(43)26(46)33(52-17)54-30-21(41)18-14(38)5-11(35)6-15(18)50-29(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19+,20+,22-,23-,24-,25+,26+,27+,28-,31+,32-,33-/m0/s1
HMDB41770	Quercetin 3'-sulfate	[H]OC1=C([H])C(O[H])=C2C(=O)C(O[H])=C(OC2=C1[H])C1=C([H])C(OS(=O)(=O)O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)
HMDB41773	Salvianolic acid D	OC(=O)C1CC2=C3C(OC4=C(O)C(O)=CC=C4C=C3C1=O)=C(O)C=C2	InChI=1S/C18H12O7/c19-11-3-2-8-6-9-13-7(5-10(14(9)21)18(23)24)1-4-12(20)17(13)25-16(8)15(11)22/h1-4,6,10,19-20,22H,5H2,(H,23,24)
HMDB41772	Resveratrol 3-sulfate	[H]OC1=C([H])C([H])=C(C([H])=C([H])C2=C([H])C(O[H])=C([H])C(OS(=O)(=O)O[H])=C2[H])C([H])=C1[H]	InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+
HMDB41775	Sesaminol 2-O-triglucoside	[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(OC3=C(C([H])=C4OC([H])([H])OC4=C3[H])[C@@]3([H])OC([H])([H])[C@]([H])(OC3([H])[H])C3=C([H])C([H])=C4OC([H])([H])OC4=C3[H])[C@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C36H46O22/c37-6-20-25(39)28(42)31(45)34(55-20)49-10-24-27(41)30(44)33(58-35-32(46)29(43)26(40)21(7-38)56-35)36(57-24)54-16-5-19-18(52-12-53-19)4-14(16)23-9-47-22(8-48-23)13-1-2-15-17(3-13)51-11-50-15/h1-5,20-46H,6-12H2/t20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-/m1/s1
HMDB41774	Salvianolic acid G	[H]OC(=O)C([H])([H])C1=C(O[H])C(O[H])=C([H])C([H])=C1\C([H])=C(/[H])C(=O)OC([H])(C(=O)O[H])C([H])([H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+
HMDB41777	Tectorigenin 4'-sulfate	[H]OC1=C(OC([H])([H])[H])C(O[H])=C2C(=O)C(=C([H])OC2=C1[H])C1=C([H])C([H])=C(OS(=O)(=O)O[H])C([H])=C1[H]	InChI=1S/C16H12O9S/c1-23-16-11(17)6-12-13(15(16)19)14(18)10(7-24-12)8-2-4-9(5-3-8)25-26(20,21)22/h2-7,17,19H,1H3,(H,20,21,22)
HMDB41776	Stevenin	COC1=C(O)C=C2C(OC(=O)C=C2C2=CC(O)=CC=C2)=C1	InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-3-2-4-10(17)5-9/h2-8,17-18H,1H3
HMDB41779	Tigloylgomicin H	[H]O[C@@]1(C([H])([H])[H])C([H])([H])C2=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2OC([H])([H])C(C([H])=O)=C([H])C([H])([H])[H])C([H])([H])[C@]1([H])C([H])([H])[H]	InChI=1S/C28H36O8/c1-9-17(14-29)15-36-27-22-18(11-20(31-4)25(27)34-7)10-16(2)28(3,30)13-19-12-21(32-5)24(33-6)26(35-8)23(19)22/h9,11-12,14,16,30H,10,13,15H2,1-8H3/b17-9+/t16-,28-/m0/s1
HMDB41778	Tectorigenin 7-sulfate	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(OS(=O)(=O)O[H])=C(OC([H])([H])[H])C(O[H])=C2C1=O	InChI=1S/C16H12O9S/c1-23-16-12(25-26(20,21)22)6-11-13(15(16)19)14(18)10(7-24-11)8-2-4-9(17)5-3-8/h2-7,17,19H,1H3,(H,20,21,22)
HMDB09483	PE(22:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3,(H,46,47)/t40-/m1/s1
HMDB09482	PE(22:0/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10,12,39H,3-9,11,13-38,42H2,1-2H3,(H,45,46)/b12-10-/t39-/m1/s1
HMDB09481	PE(22:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
HMDB09480	PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,35,38,42H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB09487	PE(22:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1
HMDB09486	PE(22:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1
HMDB07429	DG(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,24,26,30,32,41,44H,3-10,12,14-16,21-23,25,27-29,31,33-40H2,1-2H3/b13-11-,19-17-,20-18-,26-24-,32-30-/t41-/m0/s1
HMDB07428	DG(20:2(11Z,14Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,41,44H,3-10,15-16,21-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t41-/m0/s1
HMDB07427	DG(20:2(11Z,14Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,41,44H,3-10,12,14-16,21-40H2,1-2H3/b13-11-,19-17-,20-18-/t41-/m0/s1
HMDB07426	DG(20:2(11Z,14Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,41,44H,3-10,12,14-16,18,20-40H2,1-2H3/b13-11-,19-17-/t41-/m0/s1
HMDB07425	DG(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,26,28,39,42H,3-5,7,9-10,15-16,20,22-25,27,29-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,28-26-/t39-/m0/s1
HMDB07424	DG(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,39,42H,3-5,7,9-10,15-16,20,22-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-/t39-/m0/s1
HMDB07423	DG(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,26,28,39,42H,3-10,15-16,20,22-25,27,29-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,28-26-/t39-/m0/s1
HMDB07422	DG(20:2(11Z,14Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,39,42H,3-10,15-16,20,22-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-/t39-/m0/s1
HMDB07421	DG(20:2(11Z,14Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,39,42H,3-10,12,14-16,20,22-38H2,1-2H3/b13-11-,19-17-,21-18-/t39-/m0/s1
HMDB07420	DG(20:2(11Z,14Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39,42H,3-10,12,15,18,20-38H2,1-2H3/b13-11-,16-14-,19-17-/t39-/m0/s1
HMDB54132	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,34,40,43,57H,4-15,17-18,20-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b19-16-,28-25-,31-27-,34-32-,43-40-
HMDB33471	N1,N10-Diferuloylspermidine	COC1=CC(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C/C2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)29-16-4-3-14-28-15-5-17-30-27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,28,31-32H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/b12-8+,13-9-
HMDB33470	Caffeoylferuloylspermidine	COC1=CC(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C/C2=CC(O)=C(O)C=C2)=CC=C1O.COC1=CC(\C=C/C(=O)NCCCNCCCCNC(=O)\C=C\C2=CC=C(O)C(O)=C2)=CC=C1O	InChI=1S/2C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19;1-35-24-18-20(6-10-22(24)31)8-12-26(34)29-16-4-14-27-13-2-3-15-28-25(33)11-7-19-5-9-21(30)23(32)17-19/h2*5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)/b11-7-,12-8+;11-7+,12-8-
HMDB33477	Zinc octadecanoate	[Zn++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O	InChI=1S/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
HMDB33476	Aluminium octadecanoate	[Al+3].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O	InChI=1S/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3
HMDB33479	Sinapoylspermine	COC1=CC(\C=C/C(=O)N(CCCN)CCCCNCCCN)=CC(OC)=C1O	InChI=1S/C21H36N4O4/c1-28-18-15-17(16-19(29-2)21(18)27)7-8-20(26)25(14-6-10-23)13-4-3-11-24-12-5-9-22/h7-8,15-16,24,27H,3-6,9-14,22-23H2,1-2H3/b8-7-
HMDB33478	Geranyl benzoate	CC(C)=CCC\C(C)=C/COC(=O)C1=CC=CC=C1	InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12-
HMDB46845	TG(22:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,37,43,46,60H,4-8,10-11,13-16,19,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,46-43-
HMDB58853	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,68,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB03416	D-Arginine	N[C@H](CCCNC(N)=N)C(O)=O	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1
HMDB03417	D-Cysteine	N[C@H](CS)C(O)=O	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
HMDB39136	Elenaic acid	COC(=O)C1=COC(C)C(C=O)C1CC(O)=O	InChI=1S/C11H14O6/c1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2/h4-8H,3H2,1-2H3,(H,13,14)
HMDB01488	Nicotinic acid	OC(=O)C1=CN=CC=C1	InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
HMDB39130	5,8-Tetradecadienoic acid; (Z,Z)-form, Me ester	CCCCC\C=C/C\C=C\CCCC(=O)OC	InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
HMDB32707	Dalbergioidin	OC1=CC(O)=C(C=C1)C1COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H,6H2
HMDB39132	[4]-Gingerdiol 3,5-diacetate	CCCC(CC(CCC1=CC(OC)=C(O)C=C1)OC(C)=O)OC(C)=O	InChI=1S/C19H28O6/c1-5-6-16(24-13(2)20)12-17(25-14(3)21)9-7-15-8-10-18(22)19(11-15)23-4/h8,10-11,16-17,22H,5-7,9,12H2,1-4H3
HMDB39133	4,8,12,15,19-Docosapentaenoic acid	CCC=CCCC=CCC=CCCC=CCCC=CCCC(O)=O	InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,7-8,10-11,14-15,18-19H,2,5-6,9,12-13,16-17,20-21H2,1H3,(H,23,24)/b4-3+,8-7+,11-10+,15-14-,19-18+
HMDB01483	Prostaglandin F2b	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1
HMDB47321	TG(24:0/22:1(13Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-
HMDB01481	N-Sulfo-D-glucosamine	OC[C@H]1O[C@@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6-/m1/s1
HMDB32709	1-Naphthaleneacetic acid, 9CI, 8CI; Et ester	CCOC(=O)CC1=CC=CC2=C1C=CC=C2	InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3
HMDB39138	Hericenone C	CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O	InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(38)41-26-29-24-33(40-5)31(35(39)32(29)25-36)21-20-28(4)23-30(37)22-27(2)3/h20,22,24-25,39H,6-19,21,23,26H2,1-5H3/b28-20+
HMDB39139	Hericenone D	CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O	InChI=1S/C37H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)43-28-31-26-35(42-5)33(37(41)34(31)27-38)23-22-30(4)25-32(39)24-29(2)3/h22,24,26-27,41H,6-21,23,25,28H2,1-5H3/b30-22+
HMDB03418	D-Tagatose	OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1
HMDB03419	Formyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC=O	InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17?,21-/m1/s1
HMDB57099	CL(18:0/18:1(11Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-32,73-75,80H,5-26,29-30,33-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-/t73?,74-,75-/m1/s1
HMDB57098	CL(18:0/18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57097	CL(18:0/18:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1
HMDB57096	CL(18:0/18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,26-27,29-31,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57095	CL(18:0/18:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,37,42,46,54,58,77-79,84H,5-20,22-24,26-27,29-31,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57094	CL(18:0/18:1(11Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,37,41,76-78,83H,5-24,26-27,30-31,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,41-37-/t76?,77-,78-/m1/s1
HMDB57093	CL(18:0/18:1(11Z)/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,36,40,75-77,82H,5-26,28-30,32-35,37-39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,40-36-/t75?,76-,77-/m1/s1
HMDB57092	CL(18:0/18:1(11Z)/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27-28,31-32,75-77,82H,5-26,29-30,33-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,32-28-/t76-,77-/m1/s1
HMDB57091	CL(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57090	CL(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB39013	8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide	COC1CC(=O)C(CO)CC2OC(=O)C(=C)C2C(CC1(C)OC)OC(=O)C(\C)=C\C	InChI=1S/C22H32O8/c1-7-12(2)20(25)30-17-10-22(4,28-6)18(27-5)9-15(24)14(11-23)8-16-19(17)13(3)21(26)29-16/h7,14,16-19,23H,3,8-11H2,1-2,4-6H3/b12-7+
HMDB40808	Quinoside A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C53H86O23/c1-48(2)13-15-53(47(68)76-44-41(67)42(25(57)21-69-44)75-46-40(66)37(63)34(60)28(20-56)73-46)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(74-45-39(65)36(62)33(59)27(19-55)72-45)50(4,29(49)9-12-52(30,51)6)22-70-43-38(64)35(61)32(58)26(18-54)71-43/h7,24-46,54-67H,8-22H2,1-6H3
HMDB40809	5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone	COC1=C(OC)C(CC=C(C)C)=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C22H24O6/c1-12(2)5-6-13-7-14(8-20(26-3)22(13)27-4)18-11-17(25)21-16(24)9-15(23)10-19(21)28-18/h5,7-10,18,23-24H,6,11H2,1-4H3
HMDB45878	TG(20:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29-30,32-33,58H,4-19,22,25-28,31,34-57H2,1-3H3/b23-20-,24-21-,32-29-,33-30-
HMDB39012	(ent-15beta)-15,19-Dihydroxy-7-trachylobanone	CC12C3CC4(C1O)C(CC23)C1(C)CCCC(C)(CO)C1CC4=O	InChI=1S/C20H30O3/c1-17(10-21)5-4-6-18(2)13(17)8-15(22)20-9-12-11(7-14(18)20)19(12,3)16(20)23/h11-14,16,21,23H,4-10H2,1-3H3
HMDB40804	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[a-L-Rhamnopyranosyl-(1->6)-b-D-glucopyranoside], 7-O-a-L-rhamnopyranoside	COC1=CC=C(C=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1	InChI=1S/C34H42O19/c1-11-20(36)24(40)27(43)32(48-11)47-10-18-22(38)26(42)29(45)34(52-18)53-31-23(39)19-16(35)8-15(50-33-28(44)25(41)21(37)12(2)49-33)9-17(19)51-30(31)13-4-6-14(46-3)7-5-13/h4-9,11-12,18,20-22,24-29,32-38,40-45H,10H2,1-3H3
HMDB40805	Vinaginsenoside R7	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-46-42(67)38(63)35(60)27(19-54)69-46)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)72-47-43(39(64)36(61)28(20-55)70-47)74-48-44(40(65)37(62)29(21-56)71-48)73-45-41(66)34(59)26(58)22-68-45/h10,24-48,54-67H,9,11-22H2,1-8H3
HMDB40806	[7]-Paradol	CCCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20)18(14-15)21-2/h11,13-14,20H,3-10,12H2,1-2H3
HMDB40807	Caffeoylcycloartenol	CC(CCC=C(C)C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C4(C)C	InChI=1S/C39H56O4/c1-25(2)9-8-10-26(3)28-17-19-37(7)32-15-14-31-35(4,5)33(18-20-38(31)24-39(32,38)22-21-36(28,37)6)43-34(42)16-12-27-11-13-29(40)30(41)23-27/h9,11-13,16,23,26,28,31-33,40-41H,8,10,14-15,17-22,24H2,1-7H3/b16-12+
HMDB40800	2-Ethoxy-5-(1-propenyl)phenol	CCOC1=C(O)C=C(\C=C\C)C=C1	InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
HMDB40801	Kaempferol 3-(2-feruloylsophoroside) 7-glucoside	COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=C1	InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)48)3-9-27(50)65-39-34(56)30(52)25(14-45)63-42(39)67-40-35(57)31(53)26(15-46)64-43(40)66-38-32(54)28-21(49)11-19(60-41-36(58)33(55)29(51)24(13-44)62-41)12-23(28)61-37(38)17-4-6-18(47)7-5-17/h2-12,24-26,29-31,33-36,39-49,51-53,55-58H,13-15H2,1H3/b9-3+
HMDB40802	Kaempferol 3-(2-p-coumaroylsophoroside) 7-glucoside	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C42H46O23/c43-13-23-28(50)32(54)35(57)40(60-23)58-20-11-21(48)27-22(12-20)59-36(17-4-8-19(47)9-5-17)37(31(27)53)64-42-39(34(56)30(52)25(15-45)62-42)65-41-38(33(55)29(51)24(14-44)61-41)63-26(49)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+
HMDB40803	Kaempferide 3-rhamnoside	COC1=CC=C(C=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C22H22O10/c1-9-16(25)18(27)19(28)22(30-9)32-21-17(26)15-13(24)7-11(23)8-14(15)31-20(21)10-3-5-12(29-2)6-4-10/h3-9,16,18-19,22-25,27-28H,1-2H3
HMDB32042	Butyl 3-methylbutanoate	CCCCOC(=O)CC(C)C	InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
HMDB32045	Pentyl 3-methylbutanoate	CCCCCOC(=O)CC(C)C	InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
HMDB39016	Apo-8'-lycopenal	CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(/C)C=O	InChI=1S/C30H40O/c1-25(2)14-10-17-28(5)19-12-21-29(6)20-11-18-26(3)15-8-9-16-27(4)22-13-23-30(7)24-31/h8-9,11-16,18-24H,10,17H2,1-7H3/b9-8+,18-11+,21-12+,22-13+,26-15+,27-16-,28-19-,29-20+,30-23+
HMDB32047	Propyl 3-methylbutanoate	CCCOC(=O)CC(C)C	InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
HMDB39014	Nepetariaside	CC(COC1OC(CO)C(O)C(O)C1O)C1CCC(C)C1C(O)=O	InChI=1S/C16H28O8/c1-7-3-4-9(11(7)15(21)22)8(2)6-23-16-14(20)13(19)12(18)10(5-17)24-16/h7-14,16-20H,3-6H2,1-2H3,(H,21,22)
HMDB47467	TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-17,19-20,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB47466	TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,49,52,64H,4-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,29-26-,30-27-,43-40-,52-49-
HMDB47465	TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,38,41,47,50,62H,4-16,18-19,21-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,29-26-,36-27-,41-38-,50-47-
HMDB30418	3,7-Dimethyl-1,6-octadien-3-ol; (R)-form, O-b-D-Glucopyranoside	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3
HMDB30419	Ng-L-Glutamyl-L-aspartic acid	NC(CCC(=O)NC(CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C9H14N2O7/c10-4(8(15)16)1-2-6(12)11-5(9(17)18)3-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
HMDB38665	L-N-(1H-Indol-3-ylacetyl)glutamic acid	OC(=O)CCC(NC(=O)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)
HMDB38664	(2R)-1-O-beta-D-Galactopyranosylglycerol	OCC(O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2
HMDB38663	D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose	OCC(O)C(O)C(O)C(=O)CNCCCC(O)=O.OCC1OC(O)(CNCCCC(O)=O)C(O)C1O.OC1COC(O)(CNCCCC(O)=O)C(O)C1O	InChI=1S/3C10H19NO7/c12-6-4-18-10(17,9(16)8(6)15)5-11-3-1-2-7(13)14;12-4-6-8(15)9(16)10(17,18-6)5-11-3-1-2-7(13)14;12-5-7(14)10(18)9(17)6(13)4-11-3-1-2-8(15)16/h2*6,8-9,11-12,15-17H,1-5H2,(H,13,14);7,9-12,14,17-18H,1-5H2,(H,15,16)
HMDB38662	N-(1-Deoxy-1-fructosyl)alanine	CC(NCC(=O)C(O)C(O)C(O)CO)C(O)=O.CC(NCC1(O)OC(CO)C(O)C1O)C(O)=O.CC(NCC1(O)OCC(O)C(O)C1O)C(O)=O	InChI=1S/3C9H17NO7/c1-4(8(14)15)10-3-9(16)7(13)6(12)5(11)2-17-9;1-4(8(14)15)10-3-9(16)7(13)6(12)5(2-11)17-9;1-4(9(16)17)10-2-5(12)7(14)8(15)6(13)3-11/h2*4-7,10-13,16H,2-3H2,1H3,(H,14,15);4,6-8,10-11,13-15H,2-3H2,1H3,(H,16,17)
HMDB38661	Epidihydrophaseic acid	C\C(\C=C\C1(O)C2(C)COC1(C)CC(O)C2)=C/C(O)=O	InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+
HMDB38660	Dihydrophaseic acid	C\C(\C=C\C1(O)C2(C)COC1(C)CC(O)C2)=C\C(O)=O	InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-
HMDB30410	L-2-Amino-3-methylenehexanoic acid	CCCC(=C)C(N)C(O)=O	InChI=1S/C7H13NO2/c1-3-4-5(2)6(8)7(9)10/h6H,2-4,8H2,1H3,(H,9,10)
HMDB30411	(2R,2'S)-Isobuteine	CC(CSCC(N)C(O)=O)C(O)=O	InChI=1S/C7H13NO4S/c1-4(6(9)10)2-13-3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)
HMDB30412	Tricholomic acid	NC(C1CC(=O)NO1)C(O)=O	InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)
HMDB30413	Na-L-Glutamyl-L-aspartic acid	NC(CCC(O)=O)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C9H14N2O7/c10-4(1-2-6(12)13)8(16)11-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)
HMDB30414	Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2
HMDB30415	Quercetin 3-(6''''-feruloylglucosyl)-(1->2)-galactosyl-(1->2)-glucoside	COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(OC4C(OC5=C(OC6=C(C(O)=CC(O)=C6)C5=O)C5=CC(O)=C(O)C=C5)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)61-14-26-31(54)33(56)36(59)41(65-26)67-39-34(57)29(52)25(13-45)64-43(39)68-40-35(58)30(53)24(12-44)63-42(40)66-38-32(55)28-21(50)10-17(46)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+
HMDB30416	Avenic acid A	OCCC(NCCC(NCCC(O)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)
HMDB30417	Lycoperdic acid	NC(CC1(CCC(=O)O1)C(O)=O)C(O)=O	InChI=1S/C8H11NO6/c9-4(6(11)12)3-8(7(13)14)2-1-5(10)15-8/h4H,1-3,9H2,(H,11,12)(H,13,14)
HMDB36719	Norbicycloekasantalal	CC1(CC=O)C2CCC(C2)C1=C	InChI=1S/C11H16O/c1-8-9-3-4-10(7-9)11(8,2)5-6-12/h6,9-10H,1,3-5,7H2,2H3
HMDB36718	beta-Santalal	C\C(C=O)=C\CCC1(C)C2CCC(C2)C1=C	InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3/b11-5-
HMDB45279	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,41,44,50,53,62H,4-15,18,21-24,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB36715	Matsutakic acid A	CCCCCC#CC(O)C(O)C(O)=O	InChI=1S/C10H16O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,11-12H,2-5H2,1H3,(H,13,14)
HMDB36714	Yuccaol A	OC1=CC=C(\C=C\C2=CC(O)=CC3=C2C2(C(OC4=C2C(O)=CC(O)=C4)C2=CC=C(O)C=C2)C(=O)O3)C=C1	InChI=1S/C29H20O8/c30-18-7-2-15(3-8-18)1-4-17-11-20(32)13-23-25(17)29(28(35)37-23)26-22(34)12-21(33)14-24(26)36-27(29)16-5-9-19(31)10-6-16/h1-14,27,30-34H/b4-1+
HMDB36717	trans-beta-Santalol	C\C(CO)=C/CC[C@]1(C)[C@H]2CC[C@H](C2)C1=C	InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14+,15+/m1/s1
HMDB36716	beta-Santalol	C\C(CO)=C\CC[C@]1(C)[C@H]2CC[C@H](C2)C1=C	InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1
HMDB36711	Yucalexin B7	CC12CC3(CCC4C(C)(C)CC(=O)CC4(C)C3CC1=O)C=C2	InChI=1S/C20H28O2/c1-17(2)10-13(21)11-19(4)14(17)5-6-20-8-7-18(3,12-20)16(22)9-15(19)20/h7-8,14-15H,5-6,9-12H2,1-4H3
HMDB36710	Yucalexin B16	CC12CC3(CCC4C(C)(C)C(=O)CCC4(C)C3CC1=O)C=C2	InChI=1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3
HMDB36713	Yucalexin B22	CC12CC3(CCC4C(C)(C)C(O)C(O)CC4(C)C3CC1=O)C=C2	InChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,12-14,16,21,23H,5-6,9-11H2,1-4H3
HMDB36712	Yucalexin B20	CC12CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1O)C=C2	InChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3
HMDB57559	CL(16:1(9Z)/18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,38,42,50,54,73-75,80H,5-20,22-24,29,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB35169	Momordicoside B	CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)CCC12C	InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)33(54)38(66-41-35(56)30(51)24(49)18-61-41)26(64-42)19-62-40-36(57)32(53)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,10-19H2,1-8H3
HMDB35168	Cinncassiol C2	CC(C)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C	InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3
HMDB35163	Chestanin	OCC1OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OCC4=CC(O)=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)=C3)C=C2O)C(O)C(O)C1O	InChI=1S/C40H42O26/c41-8-23-27(51)29(53)32(56)39(63-23)65-35-18(45)1-12(2-19(35)46)10-60-37(58)14-5-16(43)25(49)22(6-14)62-34-15(7-17(44)26(50)31(34)55)38(59)61-11-13-3-20(47)36(21(48)4-13)66-40-33(57)30(54)28(52)24(9-42)64-40/h1-7,23-24,27-30,32-33,39-57H,8-11H2
HMDB35162	(-)-Menthone	CC(C)[C@@H]1CC[C@@H](C)CC1=O	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
HMDB35161	2,7,10-Bisabolatriene	CC(C)=CC\C=C(\C)C1CCC(C)=CC1	InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7-
HMDB35160	12-Ursene-3,24-diol; 3a-form, 24-Carboxylic acid, 3-Ac	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C	InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)
HMDB35167	Cinncassiol C1; 19-O-b-D-Glucopyranoside	CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C	InChI=1S/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3
HMDB35166	Cinncassiol C	CC(CO)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C	InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3
HMDB35165	Cinncassiol A; 19-O-b-D-Glucopyranoside	CC(COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O	InChI=1S/C26H40O12/c1-11-5-6-23(33)22(4)8-16(28)38-26(23,20(11)32)25(35)13(3)14(7-24(22,25)34)12(2)10-36-21-19(31)18(30)17(29)15(9-27)37-21/h11-12,15,17-21,27,29-35H,5-10H2,1-4H3
HMDB35164	Cinncassiol A	CC(CO)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O	InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3
HMDB57552	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1
HMDB57553	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,10-12,14-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57550	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-35,37-39,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB57551	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35-36,38-40,44,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1
HMDB13868	3-Hydroxytamoxifen (Droloxifene)	CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC(O)=C1)C1=CC=CC=C1	InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+
HMDB58019	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,29,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1
HMDB13866	N-Desmethyltamoxifen	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCNC)C=C1)C1=CC=CC=C1	InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-
HMDB57556	CL(16:1(9Z)/18:1(11Z)/16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-32,71-73,78H,5-24,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-,32-28-/t72-,73-/m1/s1
HMDB13864	CGP71422	CC1=CC=C(NC(=O)C2=CC=C(CN3CC[N](C)([O-])CC3)C=C2)C=C1NC1=NC=CC(=N1)C1=CC=CN=C1	InChI=1S/C29H31N7O2/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-35-14-16-36(2,38)17-15-35/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/q-1
HMDB13865	CGP72383	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN([O-])CC=C3)=C2)CC1	InChI=1S/C29H32N7O2/c1-21-5-10-25(18-27(21)33-29-30-12-11-26(32-29)24-4-3-13-36(38)20-24)31-28(37)23-8-6-22(7-9-23)19-35-16-14-34(2)15-17-35/h3-12,18,20H,13-17,19H2,1-2H3,(H,31,37)(H,30,32,33)/q-1
HMDB13862	N-desmethylimatinib	CC1=C(NC2=NC=CC(=N2)C2=CC=CN=C2)C=C(NC(=O)C2=CC=C(CN3CCNCC3)C=C2)C=C1	InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)
HMDB13863	AFN911	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)C(CO)C=C2)CC1	InChI=1S/C29H33N7O2/c1-35-13-15-36(16-14-35)19-21-4-6-22(7-5-21)28(38)32-25-9-8-24(20-37)27(17-25)34-29-31-12-10-26(33-29)23-3-2-11-30-18-23/h2-12,17-18,24,27,37H,13-16,19-20H2,1H3,(H,32,38)(H,31,33,34)
HMDB13860	Chloroacetaldehyde	ClCC=O	InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
HMDB13861	4-Hydroxyifosfamide	OC1CCOP(=O)(NCCCl)N1CCCl	InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)
HMDB09818	PI(18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,41,44-49,52-56H,3-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,28-26-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09819	PI(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,28-26-,34-32-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB34416	Methyl 2-propenyl trisulfide	CSSSCC=C	InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3
HMDB34417	Agavoside G	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CC(=O)C3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C62H102O33/c1-21(19-83-54-46(78)42(74)39(71)31(15-63)87-54)8-11-62(82)22(2)36-30(95-62)13-28-26-7-6-24-12-25(9-10-60(24,4)27(26)14-35(68)61(28,36)5)86-57-48(80)44(76)50(33(17-65)89-57)91-58-49(81)52(93-56-47(79)41(73)37(69)23(3)85-56)51(34(18-66)90-58)92-59-53(43(75)40(72)32(16-64)88-59)94-55-45(77)38(70)29(67)20-84-55/h21-34,36-59,63-67,69-82H,6-20H2,1-5H3
HMDB34410	Mangiferin	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C2OC3=C(C=C(O)C(O)=C3)C(=O)C2=C1O	InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2
HMDB34411	Phaseollinisoflavan	CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1COC2=CC(O)=CC=C2C1	InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3
HMDB34412	2'-O-Methylphaseollinisoflavan	COC1=C(C=CC2=C1C=COC2(C)C)C1COC2=CC(O)=CC=C2C1	InChI=1S/C21H22O4/c1-21(2)18-7-6-16(20(23-3)17(18)8-9-25-21)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3
HMDB34413	1,2-Benzisothiazol-3(2H)-one	O=C1NSC2=CC=CC=C12	InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
HMDB09810	PI(18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,37,40-45,48-52H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09811	PI(18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,37,40-45,48-52H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09812	PI(18:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42-47,50-54H,3-10,12,14-16,18,20-38H2,1-2H3,(H,55,56)/b13-11-,19-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09813	PI(18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,39,42-47,50-54H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09814	PI(18:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09815	PI(18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09816	PI(18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09817	PI(18:0/22:4(10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB53846	TG(20:3n6/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-41,43-44,58H,4-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-
HMDB58940	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,53-54,57-58,65-66,69-70,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-52,55-56,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,57-53-,58-54-,69-65-,70-66-/t86-,87-/m1/s1
HMDB45913	TG(20:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,30-31,36,38-39,41,56H,4-7,9-10,12-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,39-36-,41-38-
HMDB43809	TG(15:0/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB45912	TG(20:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,30-31,38,41,56H,4-7,9-10,12-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,41-38-
HMDB43808	TG(15:0/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H100O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-50(48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB53847	TG(20:3n6/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34-35,37,42,45,60H,4-15,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-
HMDB51368	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-37,39-41,44,46,49,62H,4-6,9,12-15,18,21-24,31,33-34,38,42-43,45,47-48,50-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-
HMDB58941	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,42,44-47,50,52,56,58,62,64,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,48-49,51,53-55,57,59-61,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,50-47-,56-52-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB48016	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-29,31,37,40,52H,4-7,9-10,12-14,16,19,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,31-29-,40-37-
HMDB43805	TG(15:0/o-18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C58H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB43804	TG(15:0/o-18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C56H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB48129	TG(14:1(9Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,29-30,33,36,55H,4-13,20-22,27-28,31-32,34-35,37-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,36-33-
HMDB43807	TG(15:0/o-18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H96O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-48(46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)47-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-
HMDB43806	TG(15:0/o-18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C60H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-57-58(56-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB43801	TG(15:0/o-18:0/15:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2)48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3/h49H,4-48H2,1-3H3
HMDB58942	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(106-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-48,51-53,57,59-60,63-65,69,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,49-50,54-56,58,61-62,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,51-47-,52-48-,57-53-,63-59-,64-60-,69-65-/t84?,85-,86-/m1/s1
HMDB49768	TG(18:1(9Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,22,25-26,29,55H,4-12,14-15,17-21,23-24,27-28,30-54H2,1-3H3/b16-13-,25-22-,29-26-
HMDB43800	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-,46-43-
HMDB49769	TG(18:1(9Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,32,34,56H,4-15,17-18,20-24,27,29,31,33,35-55H2,1-3H3/b19-16-,28-25-,30-26-,34-32-
HMDB43803	TG(15:0/o-18:0/18:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C54H106O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB43802	TG(15:0/o-18:0/16:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C52H102O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-50(48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB37147	5(6)-Butyl-1,4-dioxan-2-one	CCCCC1COC(=O)CO1.CCCCC1COCC(=O)O1	InChI=1S/2C8H14O3/c1-2-3-4-7-5-11-8(9)6-10-7;1-2-3-4-7-5-10-6-8(9)11-7/h2*7H,2-6H2,1H3
HMDB37146	5(6)-Pentyl-1,4-dioxan-2-one	CCCCCC1COC(=O)CO1.CCCCCC1COCC(=O)O1	InChI=1S/2C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8;1-2-3-4-5-8-6-11-7-9(10)12-8/h2*8H,2-7H2,1H3
HMDB37145	3-(4-Methoxyphenyl)-2-methyl-2-propenal	COC1=CC=C(\C=C(/C)C=O)C=C1	InChI=1S/C11H12O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-8H,1-2H3/b9-7+
HMDB37144	1-Phenyl-5-propyl-1H-pyrazole	CCCC1=CC=NN1C1=CC=CC=C1	InChI=1S/C12H14N2/c1-2-6-11-9-10-13-14(11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3
HMDB37143	1-Hydroxy-3-nonanone	CCCCCCC(=O)CCO	InChI=1S/C9H18O2/c1-2-3-4-5-6-9(11)7-8-10/h10H,2-8H2,1H3
HMDB37142	2-(Phenylethenyl)-1,3-dioxolane	C1COC(O1)\C=C\C1=CC=CC=C1	InChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
HMDB37141	4-[(2-Methyl-3-furanyl)thio]-5-nonanone	CCCCC(=O)C(CCC)SC1=C(C)OC=C1	InChI=1S/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3
HMDB37140	2-(1-Methylpropyl)thiazole	CCC(C)C1=NC=CS1	InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3
HMDB58943	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-49,53-55,58-59,61,65-67,70-71,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,50-52,56-57,60,62-64,68-69,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,53-49-,58-54-,59-55-,65-61-,70-66-,71-67-/t86?,87-,88-/m1/s1
HMDB37149	6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine	CC1CCC2=C1N=CC=N2	InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3
HMDB37148	6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine	CC1=NC2=C(CCC2)N=C1	InChI=1S/C8H10N2/c1-6-5-9-7-3-2-4-8(7)10-6/h5H,2-4H2,1H3
HMDB43306	TG(15:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,35,38,44,47,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,38-35-,47-44-
HMDB43307	TG(15:0/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-
HMDB43304	TG(15:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,39,42,55H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,42-39-
HMDB44918	TG(18:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,54H,4-20,22-23,26-27,29-53H2,1-3H3/b24-21-,28-25-
HMDB43305	TG(15:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,35,38,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,38-35-
HMDB44912	TG(18:0/18:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-
HMDB43302	TG(15:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,34,37,53H,4-7,9-10,12-16,18-19,21-24,28,30-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,37-34-
HMDB44910	TG(18:0/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,53H,4-20,22-23,25-52H2,1-3H3/b24-21-
HMDB44911	TG(18:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-
HMDB44916	TG(18:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,52H,4-19,22,25-51H2,1-3H3/b23-20-,24-21-
HMDB44917	TG(18:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,21-22,24,54H,4-18,20,23,25-53H2,1-3H3/b22-19-,24-21-
HMDB44914	TG(18:0/18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB43303	TG(15:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,55H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-
HMDB43300	TG(15:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,35,38,44,47,57H,4-15,17-18,20-24,29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,38-35-,47-44-
HMDB43301	TG(15:0/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,53H,4-7,9-10,12-16,18-19,21-24,28,30-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-
HMDB58945	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-69,71-73,88-90,95H,5-9,11-13,15-20,24,29-31,36,41-43,51-54,58,62-66,70,74-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB29643	1,3,5-Trichloro-2-methoxybenzene	COC1=C(Cl)C=C(Cl)C=C1Cl	InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
HMDB29642	2,4,6-Tribromophenol	OC1=C(Br)C=C(Br)C=C1Br	InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
HMDB29641	p-Mentha-1,3,5,8-tetraene	CC(=C)C1=CC=C(C)C=C1	InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
HMDB29640	3-(4-Methylphenyl)-2-propenal	CC1=CC=C(\C=C\C=O)C=C1	InChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+
HMDB29647	Domesticoside	COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C(C)=O)C(O)=C1	InChI=1S/C15H20O9/c1-6(17)11-8(18)3-7(22-2)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3
HMDB29646	2',6'-Dihydroxy-4'-methoxyacetophenone	COC1=CC(O)=C(C(C)=O)C(O)=C1	InChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3
HMDB29645	Xanthoxylin	COC1=CC(O)=C(C(C)=O)C(OC)=C1	InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
HMDB29644	2',4',6'-Trihydroxyacetophenone	CC(=O)C1=C(O)C=C(O)C=C1O	InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
HMDB29649	2,4,6-Trihydroxybenzoic acid	OC(=O)C1=C(O)C=C(O)C=C1O	InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
HMDB29648	2,4,5-Trimethoxybenzaldehyde	COC1=CC(OC)=C(OC)C=C1C=O	InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
HMDB52769	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,37,40-41,44,46,49,59H,4-6,8,11,13-15,17,22,24,26,30,35-36,38-39,42-43,45,47-48,50-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,44-41-,49-46-
HMDB58946	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-68,71-72,88-90,95H,5-9,12-13,16-20,24,29-31,36,41-43,51-54,58,62-66,69-70,73-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-/t88?,89-,90-/m1/s1
HMDB47157	TG(24:0/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C75H144O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,72H,4-24,26-27,29-71H2,1-3H3/b28-25-
HMDB58947	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-69,71-73,88-90,95H,5-9,12-13,16-20,24,29-31,36,41-43,51-54,58,62-66,70,74-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB42420	TG(14:0/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,53H,4-23,25,27-52H2,1-3H3/b26-24-
HMDB11158	PE(P-16:0e/16:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1
HMDB42422	TG(14:0/20:3(5Z,8Z,11Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h24-25,27-28,34,37,49H,4-23,26,29-33,35-36,38-48H2,1-3H3/b25-24-,28-27-,37-34-
HMDB42423	TG(14:0/20:3(5Z,8Z,11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h24-25,27,29,35,38,50H,4-23,26,28,30-34,36-37,39-49H2,1-3H3/b25-24-,29-27-,38-35-
HMDB42424	TG(14:0/20:3(5Z,8Z,11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h24,26,29,31,37,40,52H,4-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b26-24-,31-29-,40-37-
HMDB42425	TG(14:0/20:3(5Z,8Z,11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h25,27,31,33,39,42,54H,4-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b27-25-,33-31-,42-39-
HMDB42426	TG(14:0/20:3(5Z,8Z,11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h25,27,33,35,41,44,56H,4-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b27-25-,35-33-,44-41-
HMDB42427	TG(14:0/20:3(5Z,8Z,11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h25,27,35,37,43,46,58H,4-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b27-25-,37-35-,46-43-
HMDB42428	TG(14:0/20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,17,23-24,26-27,33,36,48H,4-13,15-16,18-22,25,28-32,34-35,37-47H2,1-3H3/b17-14-,24-23-,27-26-,36-33-
HMDB42429	TG(14:0/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23-25,27,29,35,38,50H,4-19,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b23-20-,25-24-,29-27-,38-35-
HMDB59167	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-9,11-13,15-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB46510	TG(22:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20,23,27,33,58H,4-19,21-22,24-26,28-32,34-57H2,1-3H3/b23-20-,33-27-
HMDB46511	TG(22:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h26-27,32-33,58H,4-25,28-31,34-57H2,1-3H3/b32-26-,33-27-
HMDB46512	TG(22:0/18:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34,60H,4-25,28,30-33,35-59H2,1-3H3/b29-26-,34-27-
HMDB46513	TG(22:0/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34-35,37,43,46,60H,4-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b29-26-,34-27-,37-35-,46-43-
HMDB46514	TG(22:0/18:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-
HMDB46515	TG(22:0/18:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,38,64H,4-24,26,29-37,39-63H2,1-3H3/b28-25-,38-27-
HMDB46516	TG(22:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,33-34,59H,4-19,21-22,24-26,28,30-32,35-58H2,1-3H3/b23-20-,33-27-,34-29-
HMDB46517	TG(22:0/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,26-27,32-33,38,41,58H,4-16,18-19,21-25,28-31,34-37,39-40,42-57H2,1-3H3/b20-17-,32-26-,33-27-,41-38-
HMDB46518	TG(22:0/18:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,33,59H,4-13,15-16,18-22,24-25,28-32,34-58H2,1-3H3/b17-14-,26-23-,33-27-
HMDB46519	TG(22:0/18:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34-35,37,60H,4-16,18-19,21-25,28,30-33,36,38-59H2,1-3H3/b20-17-,29-26-,34-27-,37-35-
HMDB55372	TG(18:4(6Z,9Z,12Z,15Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35-37,39,56H,4-6,9,12-15,18,21-24,28,32-34,38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-
HMDB11152	PE(P-16:0e/0:0)	[H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1
HMDB46633	TG(22:0/18:2(9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,31,55H,4-14,16-17,19,21-22,24-26,28-30,32-54H2,1-3H3/b18-15-,23-20-,31-27-
HMDB59169	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-28,33-40,44-46,48-51,55-58,60-63,67-69,72-73,89-91,96H,5-9,12-13,16-20,29-32,41-43,47,52-54,59,64-66,70-71,74-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-/t89?,90-,91-/m1/s1
HMDB59168	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-28,33-40,44-46,48-51,55-58,60-63,67-70,72-74,89-91,96H,5-9,11-13,15-20,29-32,41-43,47,52-54,59,64-66,71,75-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB08372	PC(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24-26,29-32,44H,6-8,10,12-14,16,18-19,23,27-28,33-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
HMDB43614	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,35,38,44,47,56H,4-13,15,18,20-22,24,28-29,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,38-35-,47-44-
HMDB43615	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,45,48,57H,4-15,18,21-24,29,31,34,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,48-45-
HMDB43616	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-15,18,21-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-
HMDB43617	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,38,41,47,50,59H,4-15,18,21-24,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,41-38-,50-47-
HMDB39279	Tuberoside A (Ullucus tuberosus)	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-34(57)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)32(55)36(37(66-41)38(59)60)65-39-33(56)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)
HMDB39278	[12]-Gingerdione	CCCCCCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,26H,3-13,15,18H2,1-2H3
HMDB39277	[8]-Dehydrogingerdione	CCCCCCCC(=O)CC(=O)\C=C/C1=CC(OC)=C(O)C=C1	InChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3/b11-9-
HMDB39276	[8]-Gingerdione	CCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C19H28O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,22H,3-9,11,14H2,1-2H3
HMDB39275	[6]-Gingerdione	CCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3
HMDB39274	Dictagymnin	CC(C)=CCOC1=CC=C(CC=C)C=C1	InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4,6-10H,1,5,11H2,2-3H3
HMDB39273	Pinostilbenoside	COC1=CC(O)=CC(\C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)=C1	InChI=1S/C21H24O8/c1-27-16-9-13(8-14(23)10-16)3-2-12-4-6-15(7-5-12)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2-
HMDB39272	Sanguiin H1	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12	InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)52-7-18-25(45)28-29(34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9)55-33(51)11-6-17(40)24(44)27(47)20(11)19-10(32(50)54-28)5-16(39)23(43)26(19)46/h1-6,18,25,28-29,34-47H,7H2
HMDB39271	Granatin A	OC1C2OC(=O)C3=CC(O)=C(O)C4=C3C3C(=CC(=O)C(O)(O4)C3(O)O)C(=O)OC1C1OC2COC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C1=O	InChI=1S/C34H24O22/c35-10-1-6-15(23(43)20(10)40)16-7(2-11(36)21(41)24(16)44)30(46)52-5-13-26-25(45)29(28(53-13)19(6)39)55-32(48)9-4-14(38)34(51)33(49,50)18(9)17-8(31(47)54-26)3-12(37)22(42)27(17)56-34/h1-4,13,18,25-26,28-29,35-37,40-45,49-51H,5H2
HMDB39270	Guavin D	CC(=O)OC1COC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OC1C1OC(=O)C2=C3C4C5=C(C(C1OC5=O)C1=C(O)C=C(O)C5=C1OC(C(O)C5)C1=CC(O)=C(O)C=C1)C(=O)C(O)(O)C4(O)OC3=C(O)C(O)=C2	InChI=1S/C51H38O29/c1-11(52)75-25-10-74-46(67)14-6-21(57)34(61)37(64)26(14)27-15(7-22(58)35(62)38(27)65)47(68)77-41(25)44-43-30(29-20(56)9-18(54)13-5-24(60)39(76-40(13)29)12-2-3-17(53)19(55)4-12)31-32(49(70)78-43)33-28-16(48(69)79-44)8-23(59)36(63)42(28)80-51(33,73)50(71,72)45(31)66/h2-4,6-9,24-25,30,33,39,41,43-44,53-65,71-73H,5,10H2,1H3
HMDB43612	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,35,38,44,47,56H,4-15,17-18,21-22,24,26,29,33-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,38-35-,47-44-
HMDB43613	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,36-37,39,43,46,55H,4-15,18,21-24,28,32-33,35,38,40-42,44-45,47-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,46-43-
HMDB43618	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,47,50,59H,4-15,18,21-24,29-30,35-36,39,42-46,48-49,51-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,50-47-
HMDB43619	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,46-47,49-50,59H,4-15,18,21-24,29-30,35-36,39,42-45,48,51-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-,50-47-
HMDB28899	Histidinyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C11H17N5O4/c12-7(1-2-9(13)17)10(18)16-8(11(19)20)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)
HMDB28898	Histidinyl-Valine	CC(C)C(N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C11H18N4O3/c1-6(2)9(12)10(16)15-8(11(17)18)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)
HMDB28891	Histidinyl-Methionine	CSCCC(N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C11H18N4O3S/c1-19-3-2-8(12)10(16)15-9(11(17)18)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)
HMDB28890	Histidinyl-Lysine	NCCCCC(N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C12H21N5O3/c13-4-2-1-3-9(14)11(18)17-10(12(19)20)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)
HMDB28893	Histidinyl-Proline	OC(=O)C(CC1=CN=CN1)NC(=O)C1CCCN1	InChI=1S/C11H16N4O3/c16-10(8-2-1-3-13-8)15-9(11(17)18)4-7-5-12-6-14-7/h5-6,8-9,13H,1-4H2,(H,12,14)(H,15,16)(H,17,18)
HMDB28892	Histidinyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C15H18N4O3/c16-12(6-10-4-2-1-3-5-10)14(20)19-13(15(21)22)7-11-8-17-9-18-11/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)
HMDB28895	Histidinyl-Threonine	CC(O)C(N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C10H16N4O4/c1-5(15)8(11)9(16)14-7(10(17)18)2-6-3-12-4-13-6/h3-5,7-8,15H,2,11H2,1H3,(H,12,13)(H,14,16)(H,17,18)
HMDB28894	Histidinyl-Serine	NC(CO)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C9H14N4O4/c10-6(3-14)8(15)13-7(9(16)17)1-5-2-11-4-12-5/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)
HMDB28897	Histidinyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C15H18N4O4/c16-12(5-9-1-3-11(20)4-2-9)14(21)19-13(15(22)23)6-10-7-17-8-18-10/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)
HMDB28896	Histidinyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C17H19N5O3/c18-13(5-10-7-20-14-4-2-1-3-12(10)14)16(23)22-15(17(24)25)6-11-8-19-9-21-11/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25)
HMDB04448	Estradiol-17beta 3-sulfate	C[C@@]12CCC3C(CCC4=C3C=CC(OS(O)(=O)=O)=C4)C1CC[C@H]2O	InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14?,15?,16?,17-,18-/m1/s1
HMDB00534	Campestanol	[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)CC[C@]12C	InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21?,22?,23+,24-,25+,26+,27+,28-/m1/s1
HMDB00535	Caproic acid	CCCCCC(O)=O	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
HMDB00536	Adenylsuccinic acid	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O	InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1
HMDB14815	Isoflurophate	CC(C)OP(F)(=O)OC(C)C	InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
HMDB00530	6-Ketoestriol	[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C=C(O)C=C3)C(=O)C[C@@]21[H]	InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1
HMDB00531	3-Hydroxyvaleric acid	CCC(O)CC(O)=O	InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
HMDB00532	Acetylglycine	CC(=O)NCC(O)=O	InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
HMDB14811	Aprepitant	C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F	InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
HMDB00538	Adenosine triphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
HMDB00539	Arabinonic acid	OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O	InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1
HMDB14818	Moricizine	CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1	InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)
HMDB14819	Amphotericin B	[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2	InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
HMDB58855	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,43-46,49-50,57-58,61-62,81-83,88H,5-20,23-24,29-30,35-36,41-42,47-48,51-56,59-60,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,44-40-,49-45-,50-46-,61-57-,62-58-/t82-,83-/m1/s1
HMDB11363	PE(P-16:0/24:1(15Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1
HMDB11362	PE(P-16:0/24:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H90NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h37,40,44H,3-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b40-37-/t44-/m1/s1
HMDB11360	PE(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1
HMDB11369	PE(P-18:0/14:1(9Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,29,32,36H,3-9,11,13-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,32-29-/t36-/m1/s1
HMDB11368	PE(P-18:0/14:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1
HMDB48967	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,31-32,34-35,40,43,56H,4-7,9-10,12-16,18-19,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB48966	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,35,56H,4-7,9-10,12-16,18-19,22-23,29-31,33-34,36-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-32-
HMDB48965	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,33,54H,4-6,8-9,11-15,17-18,20,22-23,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,33-30-
HMDB48964	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,33,54H,4-6,8-9,11-15,17-18,22,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,33-30-
HMDB48963	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,28,31,52H,4-6,8-9,11-15,17-18,22,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,31-28-
HMDB48962	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-
HMDB48961	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,34,37-38,41,43,46,56H,4-6,9,12-15,18,22-23,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-
HMDB48960	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,34,37-38,41,56H,4-6,9,12-15,18,22-23,28,32-33,35-36,39-40,42-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-
HMDB58351	CL(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58350	CL(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58353	CL(18:1(9Z)/18:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-34,37-38,75-77,82H,5-32,35-36,39-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-/t76-,77-/m1/s1
HMDB58352	CL(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-37,40-44,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58355	CL(18:1(9Z)/18:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,33-34,37-38,75-77,82H,5-26,28-30,32,35-36,39-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,37-33-,38-34-/t75?,76-,77-/m1/s1
HMDB58354	CL(18:1(9Z)/18:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32-34,36-37,73-75,80H,5-27,29-31,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB48969	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,36,39,60H,4-7,9-10,12-16,18-19,22-23,29-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,39-36-
HMDB48968	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,34,37,58H,4-7,9-10,12-16,18-19,22-23,29-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,37-34-
HMDB02670	Naringenin	OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
HMDB11949	Ganglioside GQ1c (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C105H179N5O55/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-57(124)56(110-70(131)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)49-150-95-82(139)81(138)86(68(47-117)153-95)156-97-84(141)93(87(69(48-118)154-97)157-94-55(36-50(3)119)85(77(134)64(43-113)151-94)155-96-83(140)92(78(135)65(44-114)152-96)164-104(100(146)147)39-60(127)72(107-52(5)121)89(161-104)76(133)63(130)42-112)165-105(101(148)149)40-61(128)74(109-54(7)123)91(163-105)80(137)67(46-116)159-103(99(144)145)38-59(126)73(108-53(6)122)90(162-103)79(136)66(45-115)158-102(98(142)143)37-58(125)71(106-51(4)120)88(160-102)75(132)62(129)41-111/h32,34,55-69,71-97,111-118,124-130,132-141H,8-31,33,35-49H2,1-7H3,(H,106,120)(H,107,121)(H,108,122)(H,109,123)(H,110,131)(H,142,143)(H,144,145)(H,146,147)(H,148,149)/b34-32+/t55-,56+,57-,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91?,92+,93-,94+,95-,96+,97+,102-,103-,104+,105+/m1/s1
HMDB11948	Ganglioside GQ1c (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C103H175N5O55/c1-8-10-12-14-16-18-20-21-23-24-26-28-30-32-55(122)54(108-68(129)33-31-29-27-25-22-19-17-15-13-11-9-2)47-148-93-80(137)79(136)84(66(45-115)151-93)154-95-82(139)91(85(67(46-116)152-95)155-92-53(34-48(3)117)83(75(132)62(41-111)149-92)153-94-81(138)90(76(133)63(42-112)150-94)162-102(98(144)145)37-58(125)70(105-50(5)119)87(159-102)74(131)61(128)40-110)163-103(99(146)147)38-59(126)72(107-52(7)121)89(161-103)78(135)65(44-114)157-101(97(142)143)36-57(124)71(106-51(6)120)88(160-101)77(134)64(43-113)156-100(96(140)141)35-56(123)69(104-49(4)118)86(158-100)73(130)60(127)39-109/h30,32,53-67,69-95,109-116,122-128,130-139H,8-29,31,33-47H2,1-7H3,(H,104,118)(H,105,119)(H,106,120)(H,107,121)(H,108,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)/b32-30+/t53-,54+,55-,56+,57+,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75+,76+,77-,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89?,90+,91-,92+,93-,94+,95+,100-,101-,102+,103+/m1/s1
HMDB11947	Ganglioside GQ1c (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C101H171N5O55/c1-8-10-12-14-16-18-19-20-21-23-24-26-28-30-53(120)52(106-66(127)31-29-27-25-22-17-15-13-11-9-2)45-146-91-78(135)77(134)82(64(43-113)149-91)152-93-80(137)89(83(65(44-114)150-93)153-90-51(32-46(3)115)81(73(130)60(39-109)147-90)151-92-79(136)88(74(131)61(40-110)148-92)160-100(96(142)143)35-56(123)68(103-48(5)117)85(157-100)72(129)59(126)38-108)161-101(97(144)145)36-57(124)70(105-50(7)119)87(159-101)76(133)63(42-112)155-99(95(140)141)34-55(122)69(104-49(6)118)86(158-99)75(132)62(41-111)154-98(94(138)139)33-54(121)67(102-47(4)116)84(156-98)71(128)58(125)37-107/h28,30,51-65,67-93,107-114,120-126,128-137H,8-27,29,31-45H2,1-7H3,(H,102,116)(H,103,117)(H,104,118)(H,105,119)(H,106,127)(H,138,139)(H,140,141)(H,142,143)(H,144,145)/b30-28+/t51-,52+,53-,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87?,88+,89-,90+,91-,92+,93+,98-,99-,100+,101+/m1/s1
HMDB11946	Ganglioside GQ1c (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C115H199N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h22-23,65-79,81-107,121-128,134-140,142-151H,8-21,24-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/b23-22-/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1
HMDB11945	Ganglioside GQ1c (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C115H201N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h65-79,81-107,121-128,134-140,142-151H,8-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1
HMDB11944	Ganglioside GQ1c (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C114H199N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-79(140)119-65(66(133)43-41-39-37-35-33-31-21-19-17-15-13-11-9-2)58-159-104-91(148)90(147)95(77(56-126)162-104)165-106-93(150)102(96(78(57-127)163-106)166-103-64(45-59(3)128)94(86(143)73(52-122)160-103)164-105-92(149)101(87(144)74(53-123)161-105)173-113(109(155)156)48-69(136)81(116-61(5)130)98(170-113)85(142)72(139)51-121)174-114(110(157)158)49-70(137)83(118-63(7)132)100(172-114)89(146)76(55-125)168-112(108(153)154)47-68(135)82(117-62(6)131)99(171-112)88(145)75(54-124)167-111(107(151)152)46-67(134)80(115-60(4)129)97(169-111)84(141)71(138)50-120/h64-78,80-106,120-127,133-139,141-150H,8-58H2,1-7H3,(H,115,129)(H,116,130)(H,117,131)(H,118,132)(H,119,140)(H,151,152)(H,153,154)(H,155,156)(H,157,158)/t64-,65+,66-,67+,68+,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-,82-,83-,84-,85-,86+,87+,88-,89-,90-,91-,92-,93-,94-,95-,96+,97?,98?,99?,100?,101+,102-,103+,104-,105+,106+,111-,112-,113+,114+/m1/s1
HMDB11943	Ganglioside GQ1c (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C113H195N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h22-23,63-77,79-105,119-126,132-138,140-149H,8-21,24-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/b23-22-/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1
HMDB11942	Ganglioside GQ1c (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C113H197N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h63-77,79-105,119-126,132-138,140-149H,8-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1
HMDB11941	Ganglioside GQ1c (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C112H195N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-77(138)117-63(64(131)41-39-37-35-33-31-29-21-19-17-15-13-11-9-2)56-157-102-89(146)88(145)93(75(54-124)160-102)163-104-91(148)100(94(76(55-125)161-104)164-101-62(43-57(3)126)92(84(141)71(50-120)158-101)162-103-90(147)99(85(142)72(51-121)159-103)171-111(107(153)154)46-67(134)79(114-59(5)128)96(168-111)83(140)70(137)49-119)172-112(108(155)156)47-68(135)81(116-61(7)130)98(170-112)87(144)74(53-123)166-110(106(151)152)45-66(133)80(115-60(6)129)97(169-110)86(143)73(52-122)165-109(105(149)150)44-65(132)78(113-58(4)127)95(167-109)82(139)69(136)48-118/h62-76,78-104,118-125,131-137,139-148H,8-56H2,1-7H3,(H,113,127)(H,114,128)(H,115,129)(H,116,130)(H,117,138)(H,149,150)(H,151,152)(H,153,154)(H,155,156)/t62-,63+,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-,80-,81-,82-,83-,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94+,95?,96?,97?,98?,99+,100-,101+,102-,103+,104+,109-,110-,111+,112+/m1/s1
HMDB11940	Ganglioside GQ1c (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C111H191N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-76(137)116-62(63(130)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-156-101-88(145)87(144)92(74(53-123)159-101)162-103-90(147)99(93(75(54-124)160-103)163-100-61(42-56(3)125)91(83(140)70(49-119)157-100)161-102-89(146)98(84(141)71(50-120)158-102)170-110(106(152)153)45-66(133)78(113-58(5)127)95(167-110)82(139)69(136)48-118)171-111(107(154)155)46-67(134)80(115-60(7)129)97(169-111)86(143)73(52-122)165-109(105(150)151)44-65(132)79(114-59(6)128)96(168-109)85(142)72(51-121)164-108(104(148)149)43-64(131)77(112-57(4)126)94(166-108)81(138)68(135)47-117/h22-23,61-75,77-103,117-124,130-136,138-147H,8-21,24-55H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/b23-22-/t61-,62+,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94?,95?,96?,97?,98+,99-,100+,101-,102+,103+,108-,109-,110+,111+/m1/s1
HMDB10012	PIP(20:3(8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22-23,39,42-47,50-53H,3-10,12,15,18,20-21,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10013	PIP(20:3(8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-19,21-23,39,42-47,50-53H,3-10,12,14-16,20,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10010	PIP(20:3(8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,37,40-45,48-51H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB10011	PIP(20:3(8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H92O18P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-43(52)64-40-42(66-44(53)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-63-37-41(51)38-65-70(61,62)68-50-47(56)45(54)46(55)49(48(50)57)67-69(58,59)60/h11,13,17,19,22-23,41-42,45-51,54-57H,3-10,12,14-16,18,20-21,24-40H2,1-2H3,(H,61,62)(H2,58,59,60)/b13-11-,19-17-,23-22-/t41-,42+,45?,46?,47?,48?,49-,50+/m1/s1
HMDB10016	PIP(20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17,19,22-23,27,29,39,42-47,50-53H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10017	PIP(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22-23,27,29,39,42-47,50-53H,3-10,12,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10014	PIP(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11-14,17-19,21-23,39,42-47,50-53H,3-10,15-16,20,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,14-12-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10015	PIP(20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,25,27,37,40-45,48-51H,3-10,12,14-16,19,21,23-24,26,28-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-,27-25-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB10018	PIP(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-19,21-23,27,29,39,42-47,50-53H,3-10,12,14-16,20,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10019	PIP(20:4(8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,11,13,17-18,20,22,37,40-45,48-51H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB50838	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,40,43,49,52,61H,4-6,8-9,11-14,17,20-23,30-31,33,35-39,41-42,44-48,50-51,53-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB50839	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-36,39,41,44,50,53,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-
HMDB41195	2,3-Dihydroxypropanoic acid, 9CI; (x)-form, 2-O-(E-p-Hydroxycinnamoyl)	OCC(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O	InChI=1S/C12H12O6/c13-7-10(12(16)17)18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,13-14H,7H2,(H,16,17)/b6-3+
HMDB41194	Methoxyeugenol	COC1=CC(CC=C)=CC(OC)=C1O	InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3
HMDB47399	TG(24:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,34-35,40,42-43,45,60H,4-16,19,22-25,28-33,36-39,41,44,46-59H2,1-3H3/b20-17-,21-18-,34-26-,35-27-,43-40-,45-42-
HMDB04941	Ganglioside GM2 (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C71H129N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-54(84)74-47(48(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)44-93-68-61(89)60(88)63(52(42-77)95-68)97-69-62(90)66(64(53(43-78)96-69)98-67-56(73-46(4)80)59(87)58(86)51(41-76)94-67)100-71(70(91)92)39-49(82)55(72-45(3)79)65(99-71)57(85)50(83)40-75/h35,37,47-53,55-69,75-78,81-83,85-90H,5-34,36,38-44H2,1-4H3,(H,72,79)(H,73,80)(H,74,84)(H,91,92)/b37-35+/t47-,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64-,65?,66+,67-,68+,69-,71-/m0/s1
HMDB04940	Ganglioside GM2 (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C69H125N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-52(82)72-45(46(79)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-91-66-59(87)58(86)61(50(40-75)93-66)95-67-60(88)64(62(51(41-76)94-67)96-65-54(71-44(4)78)57(85)56(84)49(39-74)92-65)98-69(68(89)90)37-47(80)53(70-43(3)77)63(97-69)55(83)48(81)38-73/h33,35,45-51,53-67,73-76,79-81,83-88H,5-32,34,36-42H2,1-4H3,(H,70,77)(H,71,78)(H,72,82)(H,89,90)/b35-33+/t45-,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62-,63?,64+,65-,66+,67-,69-/m0/s1
HMDB04943	Ganglioside GM2 (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C75H135N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-58(88)78-51(52(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-97-72-65(93)64(92)67(56(46-81)99-72)101-73-66(94)70(68(57(47-82)100-73)102-71-60(77-50(4)84)63(91)62(90)55(45-80)98-71)104-75(74(95)96)43-53(86)59(76-49(3)83)69(103-75)61(89)54(87)44-79/h19-20,39,41,51-57,59-73,79-82,85-87,89-94H,5-18,21-38,40,42-48H2,1-4H3,(H,76,83)(H,77,84)(H,78,88)(H,95,96)/b20-19-,41-39+/t51-,52+,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68-,69?,70+,71-,72+,73-,75-/m0/s1
HMDB04942	Ganglioside GM2 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H131N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(86)76-49(50(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-95-70-63(91)62(90)65(54(44-79)97-70)99-71-64(92)68(66(55(45-80)98-71)100-69-58(75-48(4)82)61(89)60(88)53(43-78)96-69)102-73(72(93)94)41-51(84)57(74-47(3)81)67(101-73)59(87)52(85)42-77/h19-20,37,39,49-55,57-71,77-80,83-85,87-92H,5-18,21-36,38,40-46H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,93,94)/b20-19-,39-37+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67?,68+,69-,70+,71-,73-/m0/s1
HMDB04945	Ganglioside GM2 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C73H133N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(86)76-49(50(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-95-70-63(91)62(90)65(54(44-79)97-70)99-71-64(92)68(66(55(45-80)98-71)100-69-58(75-48(4)82)61(89)60(88)53(43-78)96-69)102-73(72(93)94)41-51(84)57(74-47(3)81)67(101-73)59(87)52(85)42-77/h37,39,49-55,57-71,77-80,83-85,87-92H,5-36,38,40-46H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,93,94)/b39-37+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67?,68+,69-,70+,71-,73-/m0/s1
HMDB04944	Ganglioside GM2 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C75H137N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-58(88)78-51(52(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-97-72-65(93)64(92)67(56(46-81)99-72)101-73-66(94)70(68(57(47-82)100-73)102-71-60(77-50(4)84)63(91)62(90)55(45-80)98-71)104-75(74(95)96)43-53(86)59(76-49(3)83)69(103-75)61(89)54(87)44-79/h39,41,51-57,59-73,79-82,85-87,89-94H,5-38,40,42-48H2,1-4H3,(H,76,83)(H,77,84)(H,78,88)(H,95,96)/b41-39+/t51-,52+,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68-,69?,70+,71-,72+,73-,75-/m0/s1
HMDB04947	Ceramide (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC	InChI=1S/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1
HMDB04946	Ganglioside GM2 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C74H135N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-57(87)77-50(51(84)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)47-96-71-64(92)63(91)66(55(45-80)98-71)100-72-65(93)69(67(56(46-81)99-72)101-70-59(76-49(4)83)62(90)61(89)54(44-79)97-70)103-74(73(94)95)42-52(85)58(75-48(3)82)68(102-74)60(88)53(86)43-78/h38,40,50-56,58-72,78-81,84-86,88-93H,5-37,39,41-47H2,1-4H3,(H,75,82)(H,76,83)(H,77,87)(H,94,95)/b40-38+/t50-,51+,52-,53+,54+,55+,56+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67-,68?,69+,70-,71+,72-,74-/m0/s1
HMDB04949	Ceramide (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
HMDB04948	Ceramide (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1
HMDB47398	TG(24:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,35-36,43,46,61H,4-17,19,22,24-26,28,30-34,37-42,44-45,47-60H2,1-3H3/b21-18-,23-20-,35-27-,36-29-,46-43-
HMDB56296	DG(18:3n6/0:0/18:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,37,40H,3-10,15-16,21-22,27-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-
HMDB56297	DG(18:3n6/0:0/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11-12,14-15,17-18,20,24,26,38,41H,3-8,10,13,16,19,21-23,25,27-37H2,1-2H3/b11-9-,14-12-,17-15-,20-18-,26-24-
HMDB56294	DG(18:2n6/0:0/22:5n3)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-24,27,29,42,45H,3-4,6,8-10,12,15,18,21,25-26,28,30-41H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,23-22-,24-20-,29-27-
HMDB56295	DG(18:2n6/0:0/22:6n3)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-24,27,29,33,35,42,45H,3-4,6,8-10,12,15,18,21,25-26,28,30-32,34,36-41H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,23-22-,24-20-,29-27-,35-33-
HMDB51019	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,40,43,56H,4-15,17-18,20,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB51018	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,31,34,39,42,55H,4-13,15-16,18-20,22,28-30,32-33,35-38,40-41,43-54H2,1-3H3/b17-14-,24-21-,26-23-,27-25-,34-31-,42-39-
HMDB56290	DG(18:2n6/0:0/18:3n3)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18-21,38,41H,3-5,7,9-11,16-17,22-37H2,1-2H3/b8-6-,14-12-,15-13-,20-18-,21-19-
HMDB56291	DG(18:2n6/0:0/18:4n3)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18-21,24,26,38,41H,3-5,7,9-11,16-17,22-23,25,27-37H2,1-2H3/b8-6-,14-12-,15-13-,20-18-,21-19-,26-24-
HMDB51015	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,35,38,43,46,60H,4-20,22-23,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b24-21-,27-25-,28-26-,38-35-,46-43-
HMDB51014	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,33,36,41,44,58H,4-20,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b24-21-,27-25-,28-26-,36-33-,44-41-
HMDB51017	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,33-34,37-38,41,54H,4-16,18-19,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB51016	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,30-31,34,39,42,55H,4-19,22,26,29,32-33,35-38,40-41,43-54H2,1-3H3/b23-20-,24-21-,27-25-,30-28-,34-31-,42-39-
HMDB51011	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,8-9,11-14,17,20-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB51010	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31-32,34-35,38-39,42,56H,4-6,8-9,11-14,17,20-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB51013	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,31-32,34-35,39-40,42-43,56H,4-20,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB51012	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,36,39,53H,4-14,16-17,19-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b18-15-,26-24-,31-29-,39-36-
HMDB55929	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51-
HMDB55928	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,32-33,37,40,46,49,60H,4-6,8-9,11-13,15,18,20-22,24,27,29-31,34-36,38-39,41-45,47-48,50-59H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,33-32-,40-37-,49-46-
HMDB55925	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-44,47-49,51-52,62H,4-6,9,12-15,22-24,30-31,37-38,41,45-46,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-,52-49-
HMDB55924	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-34,37,40,46,49,60H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,35-36,38-39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,33-32-,34-29-,40-37-,49-46-
HMDB55927	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,33-36,40-41,43-44,49-50,52-53,63H,4-6,9,12-14,21-23,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB55926	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,36,39-40,43,45,48,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44,46-47,49-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-,48-45-
HMDB55921	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,10,13-16,19,22-24,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-
HMDB55920	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,40,43,49,52,63H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB55922	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,51,54,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-,54-51-
HMDB44654	TG(16:0/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,54H,4-18,20-21,23-26,28,30-53H2,1-3H3/b22-19-,29-27-
HMDB44205	TG(16:0/22:1(13Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,62H,4-24,29-61H2,1-3H3/b27-25-,28-26-
HMDB07209	DG(18:1(11Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16,43,46H,3-13,15,17-42H2,1-2H3/b16-14-/t43-/m0/s1
HMDB07208	DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t41-/m0/s1
HMDB07207	DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-/t41-/m0/s1
HMDB07206	DG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t41-/m0/s1
HMDB07205	DG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,41,44H,3-10,12,15,18,20,23-25,27,29-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-/t41-/m0/s1
HMDB07204	DG(18:1(11Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41,44H,3-10,12,15,18,20-40H2,1-2H3/b13-11-,16-14-,19-17-/t41-/m0/s1
HMDB07203	DG(18:1(11Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,41,44H,3-13,15,18,20-40H2,1-2H3/b16-14-,19-17-/t41-/m0/s1
HMDB07202	DG(18:1(11Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,41,44H,3-13,15,17-40H2,1-2H3/b16-14-/t41-/m0/s1
HMDB07201	DG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,39,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-/t39-/m0/s1
HMDB07200	DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,39,42H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,24-22-/t39-/m0/s1
HMDB30689	6''-O-Acetyldaidzin	CC(=O)OCC1OC(OC2=CC=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(O)C(O)C1O	InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3
HMDB35063	Epinepetalactone	CC1CCC2C1C(=O)OC=C2C	InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
HMDB58659	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,54-56,58-60,68,72,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-53,57,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB53518	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,36-37,40,42,45,57H,4-8,10-11,13,15,20,22,24,29-30,32,34-35,38-39,41,43-44,46-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-,45-42-
HMDB53519	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,34-35,37-38,44,47,59H,4-6,8-9,11-14,21-23,30-33,36,39-43,45-46,48-58H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB56748	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,39-40,44,52,56,75-77,82H,5-20,22-24,27-29,31-32,34,37-38,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,36-33-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB35068	Melleolide M	CC1=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4C=C(CO)C23O)C(O)=CC(O)=C1Cl	InChI=1S/C23H29ClO7/c1-10-16(13(26)6-14(27)18(10)24)20(29)31-15-8-22(4)17-11(7-21(2,3)19(17)28)5-12(9-25)23(15,22)30/h5-6,11,15,17,19,25-28,30H,7-9H2,1-4H3
HMDB53512	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34-35,37-38,44,47,59H,4-14,21-23,30-33,36,39-43,45-46,48-58H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB53513	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34-35,37-38,43-44,46-47,59H,4-14,21-23,30-33,36,39-42,45,48-58H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB53510	TG(20:2n6/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,36,58H,4-13,15,18,20-22,24,27,29-32,34-35,37-57H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,36-33-
HMDB30682	Cubebin	OC1OCC(CC2=CC=C3OCOC3=C2)C1CC1=CC=C2OCOC2=C1	InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2
HMDB53516	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,37,39-40,42,46,48-49,51,61H,4-14,21-23,30-31,33,35-36,38,41,43-45,47,50,52-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-,51-48-
HMDB53517	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,36,42,45,57H,4-8,10-11,13,15,20,22,24,29-30,32,34-35,37-41,43-44,46-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,45-42-
HMDB53514	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,37,40,46,49,61H,4-14,21-23,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,40-37-,49-46-
HMDB53515	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,37,39-40,42,46,49,61H,4-14,21-23,30-31,33,35-36,38,41,43-45,47-48,50-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-
HMDB42044	tolmetin glucuronide	[H][C@@]1(OC(=O)CC2=CC=C(N2C)C(=O)C2=CC=C(C)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	InChI=1S/C21H23NO9/c1-10-3-5-11(6-4-10)15(24)13-8-7-12(22(13)2)9-14(23)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h3-8,16-19,21,25-27H,9H2,1-2H3,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
HMDB55219	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34,37,54H,4-6,9,12-15,18,21-24,31-33,35-36,38-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-
HMDB55217	TG(18:3(9Z,12Z,15Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,55H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-54H2,1-3H3/b11-8-,20-17-,24-21-,29-26-
HMDB55216	TG(18:3(9Z,12Z,15Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30-32,36,39,45,48,58H,4-6,9,12-15,18,22-23,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,48-45-
HMDB55215	TG(18:3(9Z,12Z,15Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30-32,36,39,58H,4-6,9,12-15,18,22-23,27,29,33-35,37-38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-
HMDB42045	tolvaptan	CC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)N2CCCC(O)C3=C2C=CC(Cl)=C3)C(C)=C1	InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
HMDB55213	TG(18:3(9Z,12Z,15Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30,32,34,56H,4-6,9,12-15,18,22-23,27,29,31,33,35-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-
HMDB55212	TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,34,37,54H,4-6,9,12-15,18,22-23,27,30-33,35-36,38-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-34-
HMDB55210	TG(18:3(9Z,12Z,15Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-
HMDB58139	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB42048	trichloroacetic acid	OC(=O)C(Cl)(Cl)Cl	InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
HMDB58138	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB42049	trichloroethanol glucuronide	[H][C@@]1(O)[C@@]([H])(O)[C@]([H])(OCC(Cl)(Cl)Cl)O[C@]([H])(C(O)=O)[C@@]1([H])O	InChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1
HMDB58135	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB58134	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58242	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB53204	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-34,36-38,41,58H,4-6,9,12-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-
HMDB46971	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,36,39,45,48,54,57,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,39-36-,48-45-,57-54-
HMDB06631	Sialyllacto-N-tetraose c	CC(=O)NC1C(O)C(OC2OC(COC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C1O	InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-23(53)26(56)27(57)34(64-18)66-30-17(8-44)63-33(20(25(30)55)39-11(2)46)67-32-24(54)16(7-43)62-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)
HMDB06633	Sialyl Lea tetra	C[C@@H]1OC(O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](O)C=O)[C@@H](O)[C@H](O)CO)[C@H](NC(C)=O)C2O[C@@H]2O[C@H](CO)[C@H](O)C(O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)C(O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C37H62N2O28/c1-10-21(51)25(55)26(56)34(60-10)64-29-18(9-44)62-33(63-28(16(50)7-42)22(52)14(48)5-40)20(39-12(3)46)31(29)65-35-27(57)32(24(54)17(8-43)61-35)67-37(36(58)59)4-13(47)19(38-11(2)45)30(66-37)23(53)15(49)6-41/h7,10,13-35,40-41,43-44,47-57H,4-6,8-9H2,1-3H3,(H,38,45)(H,39,46)(H,58,59)/t10-,13-,14+,15+,16-,17+,18+,19+,20+,21+,22-,23?,24-,25+,26-,27+,28+,29+,30?,31?,32?,33-,34?,35-,37-/m0/s1
HMDB32298	Glyceryl lactooleate	CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COC(C)C(O)=O	InChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)30-22(19-25)20-29-21(2)24(27)28/h10-11,21-22,25H,3-9,12-20H2,1-2H3,(H,27,28)/b11-10-
HMDB32299	Glyceryl lactopalmitate	COC1=CC=CC(OC)=C1C1=NN2C(S1)=NN=C2C1=CC(=NN1)C1=CC=CC=C1	InChI=1S/C20H16N6O2S/c1-27-15-9-6-10-16(28-2)17(15)19-25-26-18(23-24-20(26)29-19)14-11-13(21-22-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,22)
HMDB47101	TG(24:0/20:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h68H,4-67H2,1-3H3
HMDB32290	1-(2-Furyl)butan-3-one	CC(=O)CCC1=CC=CO1	InChI=1S/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3
HMDB32291	Geranyl 2-methylbutyrate	CCC(C)C(=O)OC\C=C(/C)CCC=C(C)C	InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
HMDB32292	Geranyl tiglate	C\C=C(/C)C(=O)OC\C=C(/C)CCC=C(C)C	InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+
HMDB32293	N-Gluconyl ethanolamine	OCCNC(=O)C(O)C(O)C(O)C(O)CO	InChI=1S/C8H17NO7/c10-2-1-9-8(16)7(15)6(14)5(13)4(12)3-11/h4-7,10-15H,1-3H2,(H,9,16)
HMDB32294	N-Gluconyl ethanolamine phosphate	OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NCCOP(O)(O)=O	InChI=1S/C8H18NO10P/c10-3-4(11)5(12)6(13)7(14)8(15)9-1-2-19-20(16,17)18/h4-7,10-14H,1-3H2,(H,9,15)(H2,16,17,18)/t4-,5+,6+,7-/m1/s1
HMDB32295	Glucose isomerase from streptomyces rubiginosus	ClC1=CC=CC=C1C(=O)N1CCN(CC1)S(=O)(=O)C1=CC=CC=C1	InChI=1S/C17H17ClN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2
HMDB32296	Glyceryl behenate	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO	InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3
HMDB32297	Glyceryl 5-hydroxydecanoate	CCCCCC(O)CCCC(=O)OCC(O)CO	InChI=1S/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3
HMDB47103	TG(24:0/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB53208	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,35,37,40,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-
HMDB47394	TG(24:0/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,44,47,62H,4-17,19-20,22-25,28,30-35,37-43,45-46,48-61H2,1-3H3/b21-18-,29-26-,36-27-,47-44-
HMDB47104	TG(24:0/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-
HMDB53209	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-28,30-32,35-37,39-41,44,56H,4-6,8-9,11-15,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB04162	Galactan	<smiles/>	InChI=1S/C14H26O11/c1-21-11-5(3-15)24-14(10(20)7(11)17)25-12-6(4-16)23-13(22-2)9(19)8(12)18/h5-20H,3-4H2,1-2H3/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14+/m1/s1
HMDB04161	D-Urobilin	CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,15,26-27,35H,2,7,9-14H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-
HMDB04160	I-Urobilin	CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(O)=O	InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-
HMDB40611	(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid	CCCCC\C=C\CC(O)C(O)C(=O)CCCCCCC(O)=O	InChI=1S/C18H32O5/c1-2-3-4-5-6-9-12-15(19)18(23)16(20)13-10-7-8-11-14-17(21)22/h6,9,15,18-19,23H,2-5,7-8,10-14H2,1H3,(H,21,22)/b9-6+
HMDB40610	Epitheaflavic acid 3'-gallate	[H]OC(=O)C1=C([H])C2=C(C(O[H])=C(O[H])C([H])=C2C2([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C([H])([H])C2([H])OC(=O)C2=C([H])C(O[H])=C(O[H])C(O[H])=C2[H])C(=O)C(O[H])=C1[H]	InChI=1S/C28H20O14/c29-11-5-15(30)14-8-21(42-28(40)10-3-16(31)23(35)17(32)4-10)26(41-20(14)6-11)13-7-19(34)25(37)22-12(13)1-9(27(38)39)2-18(33)24(22)36/h1-7,21,26,29-32,34-35,37H,8H2,(H,33,36)(H,38,39)
HMDB40613	Kanzonol G	COC1=C(CC=C(C)C)C(O)=C2C(=O)C(COC2=C1)C1=C(O)C(CC=C(C)C)=C(O)C=C1	InChI=1S/C26H30O6/c1-14(2)6-8-17-20(27)11-10-16(24(17)28)19-13-32-22-12-21(31-5)18(9-7-15(3)4)25(29)23(22)26(19)30/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3
HMDB40612	4-Acetyl-2(3H)-benzoxazolone	CC(=O)C1=CC=CC2=C1NC(=O)O2	InChI=1S/C9H7NO3/c1-5(11)6-3-2-4-7-8(6)10-9(12)13-7/h2-4H,1H3,(H,10,12)
HMDB40615	4,5-Dihydrovomifoliol	CC(O)\C=C\C1(O)C(C)CC(=O)CC1(C)C	InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+
HMDB40614	Dihydroroseoside	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C	InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+
HMDB40617	Helianthoside B	CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(O)CC43C)C(=O)OC3OCC(O)C(O)C3OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2(C)C)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C58H94O25/c1-23-44(80-47-40(69)34(63)27(60)21-74-47)38(67)42(71)48(76-23)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-51-46(35(64)28(61)22-75-51)82-49-43(72)39(68)45(24(2)77-49)81-50-41(70)37(66)36(65)29(20-59)78-50/h10,23-24,26-51,59-72H,11-22H2,1-9H3
HMDB40616	Dulcin	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C52H84O22/c1-47(2)14-15-52(46(66)74-44-40(65)37(62)35(60)27(71-44)21-69-42-38(63)32(57)24(54)19-67-42)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(33(58)25(55)20-68-45)73-43-39(64)36(61)34(59)26(18-53)70-43/h8,23-45,53-65H,9-21H2,1-7H3
HMDB40619	Piperoic acid	CC(C)=CCC\C(C)=C/CC\C(C)=C\CC1=CC(=CC(O)=C1O)C(O)=O	InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9-,17-11+
HMDB40618	16-Hydroxy-3-oxo-12-oleanen-28-oic acid	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C30H46O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-21,23,32H,9-17H2,1-7H3,(H,33,34)
HMDB45229	TG(18:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,32,38,41,58H,4-7,9-10,12-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,41-38-
HMDB45228	TG(18:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,32,58H,4-7,9-10,12-15,18,21-24,27,29-31,33-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-
HMDB57509	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25-32,35,37,72-74,79H,5-24,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB57508	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C76H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-32,34-35,70-72,77H,5-24,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,31-27-,32-28-,35-34-/t70?,71-,72-/m1/s1
HMDB47109	TG(24:0/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,68H,4-24,26-27,29-67H2,1-3H3/b28-25-
HMDB09692	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,33,35,45H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1
HMDB09693	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,33,35,45H,3-4,6,8-10,15-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1
HMDB09690	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30-31,33,43H,3-4,9-10,15-16,20,24,26,29,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t43-/m1/s1
HMDB09691	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,33,35,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,29-27-,35-33-/t45-/m1/s1
HMDB09696	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32-35,45H,3-4,6,8-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1
HMDB09697	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,33,35,45H,3-4,9-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t45-/m1/s1
HMDB09694	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,26-29,32-35,45H,3-4,6,8-10,12,14-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1
HMDB09695	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,33,35,45H,3-4,6,8-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t45-/m1/s1
HMDB09698	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32-35,45H,3-4,9-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1
HMDB09699	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,47H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-/t47-/m1/s1
HMDB49739	TG(18:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,42,45,55H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-,45-42-
HMDB49738	TG(18:1(9Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,55H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-
HMDB44344	TG(16:0/20:3n6/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,37,58H,4-16,18-19,21-24,29-33,35-36,38-57H2,1-3H3/b20-17-,27-25-,28-26-,37-34-
HMDB57451	CL(16:1(9Z)/18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB12498	10,11-dihydro-12-oxo-LTB4	CCCCC\C=C/CC(=O)CC\C=C\C=C/[C@H](O)CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,19,22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t19-/m0/s1
HMDB43610	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,38,41,47,50,59H,4-16,18-19,21-24,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,41-38-,50-47-
HMDB44342	TG(16:0/20:3n6/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,35,56H,4-16,18-19,21-24,29-31,33-34,36-55H2,1-3H3/b20-17-,27-25-,28-26-,35-32-
HMDB52499	TG(18:2(9Z,12Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35,37,39,43,46,52,55,65H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,36,38,40-42,44-45,47-51,53-54,56-64H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-35-,39-30-,46-43-,55-52-
HMDB51828	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,37,42,45,60H,4-7,10,13-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-
HMDB44341	TG(16:0/20:3n6/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,33,54H,4-15,17-18,20-24,28,31-32,34-53H2,1-3H3/b19-16-,27-25-,29-26-,33-30-
HMDB51824	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,39,42,44,47,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-
HMDB51825	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB51826	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,32-33,40,43,58H,4-7,10,13-16,19,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,43-40-
HMDB44340	TG(16:0/20:3n6/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,33,54H,4-15,17-18,21-22,24,26,28-29,31-32,34-53H2,1-3H3/b19-16-,23-20-,27-25-,33-30-
HMDB51820	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,33,41,44,59H,4-8,10-11,13,15-16,19-20,22,24,29-32,34-40,42-43,45-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,33-27-,44-41-
HMDB51821	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,37,42,45,60H,4-8,10-11,13-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-
HMDB51822	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,37,42-43,45-46,60H,4-8,10-11,13-16,19,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB51823	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,36,44,47,62H,4-8,10-11,13-15,17,20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,36-27-,47-44-
HMDB54355	TG(22:2(13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,36,38,55H,4-7,9-10,12-15,18,21-24,28-30,32-35,37,39-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,38-36-
HMDB43611	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,40,43,49,52,61H,4-16,18-19,21-24,29-32,34-35,37-39,41-42,44-48,50-51,53-60H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,43-40-,52-49-
HMDB54357	TG(22:2(13Z,16Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,35,40,43,57H,4-7,9-10,12-15,18,21-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-33-,43-40-
HMDB54356	TG(22:2(13Z,16Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,35,57H,4-7,9-10,12-15,18,21-24,29-32,34,36-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-33-
HMDB54351	TG(22:2(13Z,16Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,59H,4-15,18,21-24,29-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-
HMDB54350	TG(22:2(13Z,16Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,55H,4-15,17-18,20-23,25,27-54H2,1-3H3/b19-16-,26-24-
HMDB35749	Ginsenoside B2	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3
HMDB35748	Sebiferenic acid	CC1(C)CCC2(CC=C3C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CCC3(C)C2C1)C(O)=O	InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)13-10-20-27(5)11-8-19-26(3,4)23(32)18(31)16-29(19,7)21(27)9-12-28(20,6)22(30)17-25/h10,18-19,21-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)
HMDB07739	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,25,27,41,44H,3-4,6,8-10,12,15,18,20,23-24,26,28-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-/t41-/m0/s1
HMDB35743	Pinocarveol	CC1(C)C2CC1C(=C)C(O)C2	InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3
HMDB35742	Absinthin	CC1C2CCC(C)(O)C3C4C5C=C(C)C6(C7OC(=O)C(C)C7CCC(C)(O)C56)C4C(C)=C3C2OC1=O	InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3
HMDB35741	p-Menth-8-en-3-one; (1R,4S)-form	CC1CCC(C(C)=C)C(=O)C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3
HMDB35740	Arlatin	CC1C2CCC(C)(O)C3(O)CC=C(C)C3C2OC1=O	InChI=1S/C15H22O4/c1-8-4-7-15(18)11(8)12-10(5-6-14(15,3)17)9(2)13(16)19-12/h4,9-12,17-18H,5-7H2,1-3H3
HMDB35747	Patchoulenone	CC1CCC2C(=O)C3=C(C)CCC13C2(C)C	InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3
HMDB35746	Hovenoside D	CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1	InChI=1S/C57H92O26/c1-23(2)14-24-15-55(7,71)46-25-8-9-32-53(5)12-11-33(52(3,4)31(53)10-13-54(32,6)56(25)21-57(46,83-24)76-22-56)79-50-45(82-49-41(69)35(63)27(60)18-73-49)43(28(61)19-74-50)80-51-44(81-48-40(68)34(62)26(59)17-72-48)39(67)37(65)30(78-51)20-75-47-42(70)38(66)36(64)29(16-58)77-47/h14,24-51,58-71H,8-13,15-22H2,1-7H3
HMDB35745	Jujuboside B	CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3
HMDB35744	(-)-Isopinocamphone	C[C@H]1[C@@H]2C[C@H](CC1=O)C2(C)C	InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
HMDB02640	N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(29)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)36-37(33,34)35/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18?,19?,20-,21+,24?,25+,26-/m1/s1
HMDB02641	2-Hydroxycinnamic acid	OC(=O)\C=C\C1=CC=CC=C1O	InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
HMDB02642	Ursodeoxycholic acid 3-sulfate	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)CC2C[C@H](CC[C@]12C)OS(O)(=O)=O	InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15?,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1
HMDB02643	3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	OC(CC(O)=O)C1=CC(O)=CC=C1	InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
HMDB02644	N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine	[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](OS(O)(=O)=O)[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(26(17,18)3)36-37(33,34)35)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18?,19?,20-,21+,24?,25+,26-/m1/s1
HMDB02649	Erythrose	O[C@@H]1COC(O)[C@@H]1O	InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1
HMDB46752	TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-16,19,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46753	TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB46750	TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,39-40,43,45,48,60H,4-8,10-11,13-16,19,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB46751	TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,19,22-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB46756	TG(22:0/22:2(13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,66H,4-17,19-20,22-26,28-29,31-65H2,1-3H3/b21-18-,30-27-
HMDB46757	TG(22:0/22:2(13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,68H,4-17,19-20,22-26,28-29,31-67H2,1-3H3/b21-18-,30-27-
HMDB46754	TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB46755	TG(22:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,61H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b20-17-,29-26-,39-36-,48-45-
HMDB46758	TG(22:0/22:2(13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,58H,4-14,16,19,21-24,26,28-57H2,1-3H3/b18-15-,20-17-,27-25-
HMDB46759	TG(22:0/22:2(13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,60H,4-16,18-19,22-23,25,27,29-59H2,1-3H3/b20-17-,24-21-,28-26-
HMDB31242	Dihydro-3(2H)-thiophenone	O=C1CCSC1	InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
HMDB31243	2-Methylpropanal	CC(C)C=O	InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
HMDB31240	2-Phenyl-1,3-dioxolane-4-methanol	OCC1COC(O1)C1=CC=CC=C1	InChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
HMDB31241	Isopropyl acetate	CC(C)OC(C)=O	InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
HMDB31246	2-Methylpropyl acetate	CC(C)COC(C)=O	InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
HMDB31247	2-Methylpropyl formate	CC(C)COC=O	InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
HMDB31244	Isobutylpropylamine	CCCNCC(C)C	InChI=1S/C7H17N/c1-4-5-8-6-7(2)3/h7-8H,4-6H2,1-3H3
HMDB31245	2-Methyl-1-propanethiol	CC(C)CS	InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
HMDB44660	TG(16:0/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,38,57H,4-15,17-18,20-24,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,27-25-,31-30-,38-35-
HMDB44661	TG(16:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,38,44,47,57H,4-15,17-18,20-24,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,31-30-,38-35-,47-44-
HMDB31248	Ethyl 2-methylpropanoate	CCOC(=O)C(C)C	InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
HMDB31249	Methyl isobutyrate	COC(=O)C(C)C	InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
HMDB44664	TG(16:0/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-
HMDB44665	TG(16:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,39,42,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-,42-39-
HMDB44666	TG(16:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,38,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,38-35-
HMDB44667	TG(16:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,38,44,47,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,38-35-,47-44-
HMDB46288	TG(22:0/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,35,40,43,57H,4-25,27,29-32,34,36-39,41-42,44-56H2,1-3H3/b28-26-,35-33-,43-40-
HMDB29117	Tyrosyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)
HMDB36075	Limonexic acid	CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=CC(=O)OC1O	InChI=1S/C26H30O10/c1-22(2)13-8-14(27)24(4)12(25(13)10-32-16(28)9-15(25)35-22)5-6-23(3)18(11-7-17(29)33-20(11)30)34-21(31)19-26(23,24)36-19/h7,12-13,15,18-20,30H,5-6,8-10H2,1-4H3
HMDB46280	TG(22:0/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB46281	TG(22:0/15:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB46282	TG(22:0/15:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C64H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3
HMDB46283	TG(22:0/15:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-
HMDB46284	TG(22:0/15:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB36076	(+)-4(10)-Thujene	CC(C)[C@@]12C[C@@H]1C(=C)CC2	InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1
HMDB46286	TG(22:0/15:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h26,31,55H,4-25,27-30,32-54H2,1-3H3/b31-26-
HMDB46287	TG(22:0/15:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,57H,4-25,27,29-56H2,1-3H3/b28-26-
HMDB41256	Heteroflavanone C	COC1=CC(OC)=C(C2CC(=O)C3=C(O2)C(CC=C(C)C)=C(O)C=C3O)C(OC)=C1	InChI=1S/C23H26O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-20(30-23(14)21)22-18(28-4)8-13(27-3)9-19(22)29-5/h6,8-10,20,24-25H,7,11H2,1-5H3
HMDB41257	5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone	COC1=CC(=CC2=C1OCO2)C1=C(O)C(=O)C2=C(O1)C(OC)=C(OC)C=C2OC	InChI=1S/C20H18O9/c1-23-10-7-12(25-3)19(26-4)20-14(10)15(21)16(22)17(29-20)9-5-11(24-2)18-13(6-9)27-8-28-18/h5-7,22H,8H2,1-4H3
HMDB41254	2-Ethyl-3-methylpyrazine, 9CI	CCC1=NC=CN=C1C	InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
HMDB29114	Tyrosyl-Serine	NC(CO)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)
HMDB41252	2-Methyl-3-propylpyrazine	CCCC1=NC=CN=C1C	InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3
HMDB41253	2,3-Diethylpyrazine	CCC1=NC=CN=C1CC	InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
HMDB41250	Demethoxyshogaol	CCCCC\C=C\C(=O)CCC1=CC=C(O)C=C1	InChI=1S/C16H22O2/c1-2-3-4-5-6-7-15(17)11-8-14-9-12-16(18)13-10-14/h6-7,9-10,12-13,18H,2-5,8,11H2,1H3/b7-6+
HMDB41251	1-Hydroxy-3,5-dimethoxy-2-prenylxanthone	COC1=CC=CC2=C1OC1=C(C(O)=C(CC=C(C)C)C(OC)=C1)C2=O	InChI=1S/C20H20O5/c1-11(2)8-9-12-15(24-4)10-16-17(18(12)21)19(22)13-6-5-7-14(23-3)20(13)25-16/h5-8,10,21H,9H2,1-4H3
HMDB36070	1-Acetyl-4-isopropenylcyclopentene	CC(=C)C1CC=C(C1)C(C)=O	InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3
HMDB56544	CL(16:0/16:1(9Z)/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27-28,31-32,69-71,76H,5-26,29-30,33-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,32-28-/t69?,70-,71-/m1/s1
HMDB41258	Homomangiferin	COC1=C(C2OC(CO)C(O)C(O)C2O)C(O)=C2C(=O)C3=C(OC2=C1)C=C(O)C(O)=C3	InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3
HMDB29112	Tyrosyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)
HMDB56545	CL(16:0/16:1(9Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C73H138O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,67-69,74H,5-24,26-27,30-31,33-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,32-28-/t67?,68-,69-/m1/s1
HMDB36072	Genipic acid	OC1OCC2=C1C(CC(O)=O)CC2	InChI=1S/C9H12O4/c10-7(11)3-5-1-2-6-4-13-9(12)8(5)6/h5,9,12H,1-4H2,(H,10,11)
HMDB44598	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,36,39,57H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,39-36-
HMDB44599	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37-38,40,56H,4-6,8-9,11-15,18,21-24,28,32-34,36,39,41-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-
HMDB44596	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,39,42,60H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,42-39-
HMDB44597	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,41,44,62H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,44-41-
HMDB44594	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,37,40,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,40-37-
HMDB36073	Viburtinal	CC1=COC=C2C(C=O)=CC=C12	InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3
HMDB44592	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,35,38,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,38-35-
HMDB44593	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,38,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,38-35-
HMDB44590	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,34,52H,4-6,8-9,11-14,17,20-23,26,29-30,32-33,35-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,34-31-
HMDB44591	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,28-29,33,36,54H,4-6,8-9,11-15,17-18,21-22,24,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,36-33-
HMDB42503	TG(14:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,47,50,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-,50-47-
HMDB42502	TG(14:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-
HMDB42501	TG(14:0/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,60H,4-16,18-19,21-23,28-59H2,1-3H3/b20-17-,26-24-,27-25-
HMDB42500	TG(14:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,34,36,42,45,58H,4-16,18-19,21-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b20-17-,26-24-,27-25-,36-34-,45-42-
HMDB42507	TG(14:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,34,36,42,45,58H,4-7,9-10,12-16,18-19,21-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,36-34-,45-42-
HMDB42506	TG(14:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,34,36,58H,4-7,9-10,12-16,18-19,21-23,28-33,35,37-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,36-34-
HMDB42505	TG(14:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,37,40,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-,40-37-
HMDB42504	TG(14:0/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-
HMDB42509	TG(14:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,47,50,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-,50-47-
HMDB42508	TG(14:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-
HMDB52318	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,37,39,42,63H,4-7,9-10,12-16,18-19,22-23,27,31-36,38,40-41,43-62H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-30-,42-39-
HMDB56845	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-/t81?,82-,83-/m1/s1
HMDB58868	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,42,44-46,48,50,52,54,60,62,64,66,83-85,90H,5-20,23-24,29-30,35-36,41,43,47,49,51,53,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,52-48-,54-50-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB39071	exo-Dehydrochalepin	CC(=C)C1CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C	InChI=1S/C19H20O3/c1-6-19(4,5)14-8-12-7-13-9-15(11(2)3)21-16(13)10-17(12)22-18(14)20/h6-8,10,15H,1-2,9H2,3-5H3
HMDB39070	Byakangelicin; (R)-form, 2'-O-b-D-Glucopyranoside	COC1=C2C=CC(=O)OC2=C(OCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)O)C2=C1C=CO2	InChI=1S/C23H28O12/c1-23(2,29)13(34-22-17(28)16(27)15(26)12(8-24)33-22)9-32-21-19-11(6-7-31-19)18(30-3)10-4-5-14(25)35-20(10)21/h4-7,12-13,15-17,22,24,26-29H,8-9H2,1-3H3
HMDB39073	Hoduloside IV	CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1	InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)59-20-46)62-41-37(64-40-35(56)33(54)31(52)26(17-49)61-40)36(24(50)18-58-41)63-39-34(55)32(53)30(51)25(16-48)60-39/h14,22-41,48-57H,8-13,15-20H2,1-7H3
HMDB39072	Hoduloside III	CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C47H76O17/c1-21(2)15-23-16-45(8,56)38-24-9-10-28-43(6)13-12-29(42(4,5)27(43)11-14-44(28,7)46(24)19-47(38,64-23)58-20-46)61-41-37(63-39-34(54)32(52)30(50)22(3)59-39)36(25(49)18-57-41)62-40-35(55)33(53)31(51)26(17-48)60-40/h15,22-41,48-56H,9-14,16-20H2,1-8H3
HMDB39075	Hoduloside I	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CCC(C3OC3(C)CC(OC3OC(CO)C(O)C(O)C3O)C=C(C)C)C43COC(=O)C3)C2(C)C)C(O)C(O)C1O	InChI=1S/C48H78O19/c1-21(2)15-23(62-42-38(59)35(56)32(53)25(18-49)63-42)16-47(8)40(67-47)24-9-10-28-45(6)13-12-29(44(4,5)27(45)11-14-46(28,7)48(24)17-30(51)60-20-48)65-43-39(36(57)33(54)26(19-50)64-43)66-41-37(58)34(55)31(52)22(3)61-41/h15,22-29,31-43,49-50,52-59H,9-14,16-20H2,1-8H3
HMDB39074	Hoduloside V	CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H78O18/c1-21(2)15-23-16-46(8,58)39-24-9-10-28-44(6)13-12-29(43(4,5)27(44)11-14-45(28,7)47(24)19-48(39,66-23)59-20-47)63-42-38(65-40-35(56)33(54)30(51)22(3)60-40)37(32(53)26(18-50)62-42)64-41-36(57)34(55)31(52)25(17-49)61-41/h15,22-42,49-58H,9-14,16-20H2,1-8H3
HMDB39077	Lactariamide B	CCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C(/C)CCCCCCCCC	InChI=1S/C37H71NO4/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-36(41)37(42)38-34(32-39)35(40)30-27-23-25-29-33(3)28-24-21-19-11-9-7-5-2/h27,29-30,34-36,39-41H,4-26,28,31-32H2,1-3H3,(H,38,42)/b30-27+,33-29+
HMDB39076	Hoduloside II	CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC(C4OC4(C)CC(O)C=C(C)C)C54COC(=O)C4)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H78O19/c1-21(2)15-23(51)16-47(8)40(67-47)24-9-10-28-45(6)13-12-29(44(4,5)27(45)11-14-46(28,7)48(24)17-30(52)60-20-48)64-43-39(66-41-36(58)34(56)31(53)22(3)61-41)38(33(55)26(19-50)63-43)65-42-37(59)35(57)32(54)25(18-49)62-42/h15,22-29,31-43,49-51,53-59H,9-14,16-20H2,1-8H3
HMDB39079	beta-Citraurin epoxide	C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C	InChI=1S/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+
HMDB39078	trans-Methylbixin	COC(=O)\C=C/C(/C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C\C=C(\C)/C=C\C(=O)OC	InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9-,14-10+,19-17-,20-18-,21-11+,22-12-,23-15-,24-16-
HMDB58865	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-35,37-40,42,45-48,51-53,57,59-60,63-65,69,84-86,91H,5-20,24,29-31,36,41,43-44,49-50,54-56,58,61-62,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,51-47-,52-48-,57-53-,63-59-,64-60-,69-65-/t84?,85-,86-/m1/s1
HMDB58864	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-40-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,43-46,48,50,56,58,60,62,81-83,88H,5-20,23-24,29-30,35-36,41-42,47,49,51-55,57,59,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,44-40-,48-45-,50-46-,60-56-,62-58-/t81?,82-,83-/m1/s1
HMDB30595	Suberenone	COC1=C(\C=C\C(C)=O)C=C2C=CC(=O)OC2=C1	InChI=1S/C14H12O4/c1-9(15)3-4-10-7-11-5-6-14(16)18-13(11)8-12(10)17-2/h3-8H,1-2H3/b4-3+
HMDB30594	Edulisin I	CC(C)=CC(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C28H26O8/c1-16(2)15-23(32)35-26-24-20(12-8-18-9-14-21(30)34-25(18)24)33-27(26)28(3,4)36-22(31)13-7-17-5-10-19(29)11-6-17/h5-15,26-27,29H,1-4H3/b13-7+
HMDB30597	Umbelliprenin	CC(C)=CCC\C(C)=C/CC\C(C)=C\COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9-,20-15+
HMDB30596	Ugaxanthone	CC(C)=CCC1=C(O)C=C(O)C2=C1OC1=C(C=CC(O)=C1O)C2=O	InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13(21)14-15(22)10-5-6-11(19)16(23)18(10)24-17(9)14/h3,5-7,19-21,23H,4H2,1-2H3
HMDB30591	Dihydro-O-methylsterigmatocystin	COC1=CC2=C(C3CCOC3O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2	InChI=1S/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3
HMDB30590	Dihydrosterigmatocystin	COC1=CC2=C(C3CCOC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2	InChI=1S/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3
HMDB30593	Edulisin II	CC(C)=CC(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C=C(C)C	InChI=1S/C24H26O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-12,22-23H,1-6H3
HMDB30592	5,6-Dimethoxysterigmatocystin	COC1=CC(O)=C2C(=O)C3=C(OC2=C1OC)C1=C(OC2OC=CC12)C=C3OC	InChI=1S/C20H16O8/c1-23-10-7-11-13(8-4-5-26-20(8)27-11)18-15(10)16(22)14-9(21)6-12(24-2)17(25-3)19(14)28-18/h4-8,20-21H,1-3H3
HMDB30599	5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol	CC(C)\C=C\C1=C(O)C=C(\C=C/C2=CC=C(O)C=C2)C=C1O	InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-13,20-22H,1-2H3/b5-4-,10-3+
HMDB30598	(-)-Wikstromol	COC1=CC(CC2COC(=O)C2(O)CC2=CC=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3
HMDB32575	Butylparaben	CCCCOC(=O)C1=CC=C(O)C=C1	InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
HMDB32574	Propylparaben	CCCOC(=O)C1=CC=C(O)C=C1	InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
HMDB32577	4'-Methoxybenzophenone-2-carboxylic acid	COC1=CC=C(C=C1)C(=O)C1=C(C=CC=C1)C(O)=O	InChI=1S/C15H12O4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
HMDB32576	2-Methoxy-1,4-benzoquinone	COC1=CC(=O)C=CC1=O	InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
HMDB32571	2-Methoxybenzenethiol	COC1=C(S)C=CC=C1	InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
HMDB32570	4'-Methoxyacetophenone	COC1=CC=C(C=C1)C(C)=O	InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
HMDB32573	Ethylparaben	CCOC(=O)C1=CC=C(O)C=C1	InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
HMDB32572	Methylparaben	COC(=O)C1=CC=C(O)C=C1	InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
HMDB47153	TG(24:0/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,40,66H,4-26,28-39,41-65H2,1-3H3/b40-27-
HMDB47152	TG(24:0/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,66H,4-20,22-23,25-65H2,1-3H3/b24-21-
HMDB47151	TG(24:0/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-
HMDB47150	TG(24:0/24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,62H,4-14,16-17,19-61H2,1-3H3/b18-15-
HMDB32579	2,5-Diisopropylphenol	CC(C)C1=CC=C(C(C)C)C(O)=C1	InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3
HMDB32578	4-Hydroxybenzylamine	NCC1=CC=C(O)C=C1	InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2
HMDB47155	TG(24:0/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,42,45,51,54,68H,4-26,28-29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b30-27-,45-42-,54-51-
HMDB47154	TG(24:0/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,68H,4-26,28-29,31-67H2,1-3H3/b30-27-
HMDB38036	2-Propenyl 3-methylbutanoate	CC(C)CC(=O)OCC=C	InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
HMDB38037	Corossolone	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(=O)CCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,31-34,37-38H,3-26H2,1-2H3
HMDB30629	Rubraflavone B	CC(C)=CCC\C(C)=C\CC1=C(OC2=C(CC=C(C)C)C(O)=CC=C2C1=O)C1=C(O)C=C(O)C=C1	InChI=1S/C30H34O5/c1-18(2)7-6-8-20(5)10-13-24-28(34)25-15-16-26(32)22(12-9-19(3)4)29(25)35-30(24)23-14-11-21(31)17-27(23)33/h7,9-11,14-17,31-33H,6,8,12-13H2,1-5H3/b20-10+
HMDB30628	Rubraflavone A	CC(C)=CCC\C(C)=C\CC1=C(OC2=CC(O)=CC=C2C1=O)C1=C(O)C=C(O)C=C1	InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-10-21-24(29)20-12-9-18(27)14-23(20)30-25(21)19-11-8-17(26)13-22(19)28/h5,7-9,11-14,26-28H,4,6,10H2,1-3H3/b16-7+
HMDB38032	Malvidin 3-sophoroside 5-glucoside	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40)/p+1
HMDB38033	Malvidin 3-laminaribioside	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C1O)C(O)=CC(O)=C2	InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)34)26-17(7-12-13(33)5-11(32)6-14(12)42-26)43-29-25(39)27(22(36)19(9-31)45-29)46-28-24(38)23(37)21(35)18(8-30)44-28/h3-7,18-19,21-25,27-31,35-39H,8-9H2,1-2H3,(H2-,32,33,34)/p+1
HMDB38030	3,3',4',5,5',6,7-Heptahydroxyflavone; 6,7-Methylene, 4'-Me ether, 3-O-b-D-glucuronopyranoside	COC1=C(O)C=C(C=C1O)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O1)C=C1OCOC1=C2O	InChI=1S/C23H20O15/c1-33-18-7(24)2-6(3-8(18)25)17-20(37-23-16(30)14(28)15(29)21(38-23)22(31)32)13(27)11-9(36-17)4-10-19(12(11)26)35-5-34-10/h2-4,14-16,21,23-26,28-30H,5H2,1H3,(H,31,32)
HMDB38031	12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid	COC1=C(O)C(=CC2=C1C1(CCCC(C)(C)C1CC2)C(O)=O)C(C)C	InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)18(25-5)17(14)22/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)
HMDB30623	Bipindogulomethyloside	CC1OC(OC2CCC3(C)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O	InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3
HMDB30622	(R)-Oxypeucedanin	CC1(C)OC1COC1=C2C=CC(=O)OC2=CC2=C1C=CO2	InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3
HMDB30621	Oxyisocyclointegrin	COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C1=C(OC(C3)C(C)(C)O)C=C(O)C=C1	InChI=1S/C21H20O7/c1-21(2,25)17-9-13-19(24)18-14(23)7-11(26-3)8-16(18)28-20(13)12-5-4-10(22)6-15(12)27-17/h4-8,17,22-23,25H,9H2,1-3H3
HMDB30620	Morusinol	CC(C)(O)CCC1=C(OC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O)C1=CC=C(O)C=C1O	InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3
HMDB30627	3',4',5,7-Tetrahydroxy-8-methylisoflavone; 3',4',7-Tri-Me ether, 5-O-[a-L-rhamnopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)=C2C(=O)C(=COC2=C1C)C1=CC(OC)=C(OC)C=C1	InChI=1S/C31H38O15/c1-12-17(40-4)9-19(21-23(34)15(11-42-28(12)21)14-6-7-16(39-3)18(8-14)41-5)44-31-29(26(37)24(35)20(10-32)45-31)46-30-27(38)25(36)22(33)13(2)43-30/h6-9,11,13,20,22,24-27,29-33,35-38H,10H2,1-5H3
HMDB30626	Castacrenin B	OCC1OC2C(OC(=O)C3=C2C(O)=C(O)C(O)=C3C2=C3C(=O)OC4=C(O)C(O)=CC5=C4C3=C(OC5=O)C(O)=C2O)C(O)C1O	InChI=1S/C27H18O17/c28-2-5-14(31)19(36)24-23(41-5)12-11(27(40)44-24)8(15(32)18(35)17(12)34)7-10-9-6-3(25(38)42-22(9)20(37)16(7)33)1-4(29)13(30)21(6)43-26(10)39/h1,5,14,19,23-24,28-37H,2H2
HMDB30625	Castacrenin A	OCC(O)C1OC2C(OC(=O)C3=C2C(O)=C(O)C(O)=C3C2=C3C(=O)OC4=C(O)C(O)=CC5=C4C3=C(OC5=O)C(O)=C2O)C1O	InChI=1S/C27H18O17/c28-2-5(30)20-19(37)24-23(41-20)12-11(27(40)44-24)8(14(32)17(35)16(12)34)7-10-9-6-3(25(38)42-22(9)18(36)15(7)33)1-4(29)13(31)21(6)43-26(10)39/h1,5,19-20,23-24,28-37H,2H2
HMDB30624	Quercetagitrin	OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2
HMDB08642	PC(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27,29-32,35,37,48H,6-8,10,12-13,18-19,24,26,28,33-34,36,38-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1
HMDB08643	PC(22:4(7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,50H,6-13,15,17-19,21,23-25,27,29-31,33,35-49H2,1-5H3/b16-14-,22-20-,28-26-,34-32-/t50-/m1/s1
HMDB08640	PC(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,29-32,35,37,48H,6-13,18-19,24,26,28,33-34,36,38-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1
HMDB08641	PC(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27,29-32,48H,6-8,10,12-13,18-19,24,26,28,33-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-/t48-/m1/s1
HMDB08646	PC(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,50H,6-13,18-19,24-25,30-31,36-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t50-/m1/s1
HMDB08647	PC(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,39,41,50H,6-13,18-19,24-25,30-31,36-38,40,42-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t50-/m1/s1
HMDB08644	PC(22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,32,34,50H,6-13,15,17-19,24-25,27,29-31,33,35-49H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,34-32-/t50-/m1/s1
HMDB08645	PC(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,32,34,50H,6-13,18-19,24-25,27,29-31,33,35-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,34-32-/t50-/m1/s1
HMDB08648	PC(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,50H,6-8,10,12-13,18-19,24-25,30-31,36-49H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t50-/m1/s1
HMDB08649	PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,39,41,50H,6-8,10,12-13,18-19,24-25,30-31,36-38,40,42-49H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t50-/m1/s1
HMDB43556	TG(15:0/22:2(13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,56H,4-13,15,18,20-22,24,28-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-
HMDB14388	Ranolazine	COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1	InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
HMDB14389	Mesalazine	NC1=CC(C(O)=O)=C(O)C=C1	InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
HMDB14386	Butalbital	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O	InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
HMDB14387	Cladribine	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1	InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
HMDB14384	Oxiconazole	ClC1=CC(Cl)=C(CO\N=C(\CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1	InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18-
HMDB14385	Alclometasone	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C	InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1
HMDB14382	Butabarbital	CCC(C)C1(CC)C(=O)NC(=O)NC1=O	InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
HMDB14383	Nevirapine	CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1	InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
HMDB14380	Milrinone	CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1	InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
HMDB14381	Pipobroman	BrCCC(=O)N1CCN(CC1)C(=O)CCBr	InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
HMDB54947	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-
HMDB58199	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,41-45,51-52,55-56,63-64,67-68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,36,39-40,46-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB58198	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,41-45,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,36,39-40,46-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58193	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,37,39-41,48,52,60,64,79-81,86H,5-20,22-24,26,29-30,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58192	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,46,50,58,62,77-79,84H,5-20,22-24,26,29-30,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB36506	Sinjarite	O.O.[Cl-].[Cl-].[Ca++]	InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
HMDB58190	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38-40,46,50,58,62,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB58197	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-44,46,51-52,55-56,63-64,67-68,83-85,90H,5-20,23-24,28-30,32,35,39-40,45,47-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB58196	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-35,37-38,40,42-43,45,49-50,54,57,61-62,66,81-83,88H,5-20,23-24,27,29-31,36,39,41,44,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB58195	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58194	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,39-41,43,48,52,60,64,79-81,86H,5-20,22-24,26,28-30,32,35,38,42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB09995	PIP(18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86O18P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(50)62-38-40(64-42(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-61-35-39(49)36-63-68(59,60)66-48-45(54)43(52)44(53)47(46(48)55)65-67(56,57)58/h11,13,17-20,23,25,39-40,43-49,52-55H,3-10,12,14-16,21-22,24,26-38H2,1-2H3,(H,59,60)(H2,56,57,58)/b13-11-,19-17-,20-18-,25-23-/t39-,40+,43?,44?,45?,46?,47-,48+/m1/s1
HMDB09994	PIP(18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86O18P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(50)62-38-40(64-42(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-61-35-39(49)36-63-68(59,60)66-48-45(54)43(52)44(53)47(46(48)55)65-67(56,57)58/h11,13-14,16-17,19,23,25,39-40,43-49,52-55H,3-10,12,15,18,20-22,24,26-38H2,1-2H3,(H,59,60)(H2,56,57,58)/b13-11-,16-14-,19-17-,25-23-/t39-,40+,43?,44?,45?,46?,47-,48+/m1/s1
HMDB09997	PIP(20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h12,14,18,21,39,42-47,50-53H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b14-12-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09996	PIP(18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,11,13,17,19,37,40-45,48-51H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b7-5-,13-11-,19-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09991	PIP(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h12,14,17-19,21-22,24,28,30,39,42-47,50-53H,3-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b14-12-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09990	PIP(18:2(9Z,12Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11-14,17-19,21,39,42-47,50-53H,3-10,15-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09993	PIP(18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17,19,23,25,37,40-45,48-51H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,19-17-,25-23-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09992	PIP(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11-14,17-19,21-22,24,39,42-47,50-53H,3-10,15-16,20,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,14-12-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09999	PIP(20:1(11Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h14,16-17,19,39,42-47,50-53H,3-13,15,18,20-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b16-14-,19-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09998	PIP(20:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-18,37,40-45,48-51H,3-16,19-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b18-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB15262	Prednicarbate	CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(=O)CC	InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3
HMDB15263	Proguanil	CC(C)\N=C(/N)N=C(N)NC1=CC=C(Cl)C=C1	InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)
HMDB15260	Bicalutamide	CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F	InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
HMDB34624	Vinaginsenoside R1	CC1OC(OC2C(O)C(O)C(COC(C)=O)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	InChI=1S/C44H74O15/c1-20-30(48)32(50)34(52)37(55-20)58-35-33(51)31(49)25(19-54-21(2)45)57-38(35)56-24-18-43(9)26(41(7)14-12-27(47)39(3,4)36(24)41)17-23(46)29-22(11-15-42(29,43)8)44(10)16-13-28(59-44)40(5,6)53/h20,22-38,46-53H,11-19H2,1-10H3
HMDB15266	Doxacurium chloride	COC1=CC(CC2C3=C(CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC4=C(C2CC2=CC(OC)=C(OC)C(OC)=C2)C(OC)=C(OC)C(OC)=C4)C=C(OC)C(OC)=C3OC)=CC(OC)=C1OC	InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2
HMDB15267	Carvedilol	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2	InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
HMDB15264	Pioglitazone	CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1	InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
HMDB15265	Tiludronate	OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O	InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)
HMDB15269	Sulfinpyrazone	O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
HMDB34629	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol; (7'R*,8'S*)-form, 9-Carboxylic acid, 3',5-di-Me ether, Me ester	COC(=O)\C=C/C1=CC2=C(OC(C2CO)C2=CC=C(O)C(OC)=C2)C(OC)=C1	InChI=1S/C21H22O7/c1-25-17-10-13(5-6-16(17)23)20-15(11-22)14-8-12(4-7-19(24)27-3)9-18(26-2)21(14)28-20/h4-10,15,20,22-23H,11H2,1-3H3/b7-4-
HMDB34628	20,23-cis-Bullatalicinone	CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCC2CC(CC(C)=O)C(=O)O2)O1	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-10-9-11-14-17-30-26-28(25-27(2)38)37(42)44-30/h28-36,39-41H,3-26H2,1-2H3
HMDB39859	Glandulone C	CC(CC\C=C(/C)C=O)C1=CC(=O)C(C)=CC1O	InChI=1S/C15H20O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11,15,18H,4,6H2,1-3H3/b10-5+
HMDB39858	Angeloylsenkyunolide F	CCC(OC(=O)C(\C)=C\C)\C=C1\OC(=O)C2=C1CCC=C2	InChI=1S/C17H20O4/c1-4-11(3)16(18)20-12(5-2)10-15-13-8-6-7-9-14(13)17(19)21-15/h4,7,9-10,12H,5-6,8H2,1-3H3/b11-4+,15-10+
HMDB39857	Cadabicine methyl ether	COC1=CC=C2C=C1OC1=CC=C(C=C1)\C=C\C(=O)NCCCNCCCCNC(=O)\C=C\2	InChI=1S/C26H31N3O4/c1-32-23-12-7-21-9-14-26(31)28-17-3-2-15-27-16-4-18-29-25(30)13-8-20-5-10-22(11-6-20)33-24(23)19-21/h5-14,19,27H,2-4,15-18H2,1H3,(H,28,31)(H,29,30)/b13-8+,14-9+
HMDB39856	Diosmetin 7-neohesperidoside	[H]OC1=C([H])C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])OC2([H])OC([H])(C([H])([H])[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])=C([H])C2=C1C(=O)C([H])=C(O2)C1=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3
HMDB39855	Vitexin 4'-O-alpha-L-Rhamnopyranoside	CC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C(O)C(O)C1O	InChI=1S/C27H30O14/c1-9-19(32)21(34)24(37)27(38-9)39-11-4-2-10(3-5-11)15-7-14(31)17-12(29)6-13(30)18(25(17)40-15)26-23(36)22(35)20(33)16(8-28)41-26/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3
HMDB39854	1-Decen-3-ol	CCCCCCCC(O)C=C	InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h4,10-11H,2-3,5-9H2,1H3
HMDB39853	3,5,6-Trichloro-2-pyridinol	OC1=NC(Cl)=C(Cl)C=C1Cl.ClC1=C(Cl)C=C(Cl)C(=O)N1	InChI=1S/2C5H2Cl3NO/c2*6-2-1-3(7)5(10)9-4(2)8/h2*1H,(H,9,10)
HMDB39852	3,7,15-Trihydroxy-8-scirpenone; (3a,7a)-form, 3-O-b-D-Glucopyranoside	CC1=CC2OC3C(CC(C)(C33CO3)C2(CO)C(O)C1=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3
HMDB39851	Quinoside D	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-32(54)30(52)29(51)24(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)35(33(55)36(64-40)37(57)58)63-38-31(53)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)
HMDB39850	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[a-L-Rhamnopyranosyl-(1-&gt;3)-a-L-rhamnopyranosyl]	COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-15(37)7-13(35)8-17(19)51-29(31)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3
HMDB39714	Sativoside B1	CC(CCC1(O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)5-10-63(85)22(2)36-29(98-63)13-26-24-12-28(70)27-11-23(6-8-61(27,3)25(24)7-9-62(26,36)4)87-56-49(83)45(79)51(35(19-69)93-56)94-60-54(53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58)97-59-50(84)52(40(74)33(17-67)91-59)95-57-47(81)43(77)38(72)31(15-65)89-57/h21-60,64-85H,5-20H2,1-4H3
HMDB32523	Succinic anhydride	O=C1CCC(=O)O1	InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2
HMDB43390	TG(15:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,37,59H,4-7,9-10,12-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-35-
HMDB39717	Samarangenin A	OC1C2OC3=CC(O)=CC(O)=C3C1C1=C3OC(C(CC3=C(O)C=C1O)OC(=O)C1=CC(OC3=C(O)C(O)=C(O)C=C23)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2
HMDB39710	1-Acetylcyclohexyl acetate	CC(=O)OC1(CCCCC1)C(C)=O	InChI=1S/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3
HMDB39711	Aromadendrene epoxide	CC1CCC2C1C1C(CCC22CO2)C1(C)C	InChI=1S/C15H24O/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10)8-16-15/h9-13H,4-8H2,1-3H3
HMDB45148	TG(18:0/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,13,16-17,20,22,25-26,29,35,38,55H,4-7,9-10,12,14-15,18-19,21,23-24,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,29-26-,38-35-
HMDB45149	TG(18:0/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,35,57H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34,36-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,35-33-
HMDB39712	gamma-Pinacene	CC(C)C1=C\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\1	InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8-,18-12-,19-11-,20-14-
HMDB45142	TG(18:0/20:2n6/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,35,57H,4-13,15,18,20-22,24,27,29-32,34,36-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,35-33-
HMDB45143	TG(18:0/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,35,41,44,57H,4-13,15,18,20-22,24,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,35-33-,44-41-
HMDB45140	TG(18:0/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16-17,20,22,25-26,29,35,38,55H,4-12,14-15,18-19,21,23-24,27-28,30-34,36-37,39-54H2,1-3H3/b16-13-,20-17-,25-22-,29-26-,38-35-
HMDB32525	Tetradec-2-enal	CCCCCCCCCCC\C=C\C=O	InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-14H,2-11H2,1H3/b13-12+
HMDB45146	TG(18:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,31-32,37,40,46,49,59H,4-13,15,18,20-22,24,27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,40-37-,49-46-
HMDB45147	TG(18:0/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,13,16-17,20,22,25-26,29,55H,4-7,9-10,12,14-15,18-19,21,23-24,27-28,30-54H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,29-26-
HMDB45144	TG(18:0/20:2n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,59H,4-13,15,18,20-22,24,27,29-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-
HMDB45145	TG(18:0/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,31-32,37,40,59H,4-13,15,18,20-22,24,27,29-30,33-36,38-39,41-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,40-37-
HMDB14609	Picrotoxin	[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O	InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1
HMDB14608	Ketorolac	OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1	InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
HMDB14603	Verteporfin	COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C2=CC=C([C@@H](C(=O)OC)[C@@]32C)C(=O)OC)=C1C	InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/b28-16-,29-17-,30-19-,31-16-,32-18-,33-18-,34-17-,35-19-/t38-,41+/m0/s1
HMDB14602	Acitretin	COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1	InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+
HMDB14600	Prazosin	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1	InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
HMDB14607	Sodium Tetradecyl Sulfate	CCCCCCCCCCCCCCOS(O)(=O)=O	InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
HMDB14606	Metharbital	CCC1(CC)C(=O)NC(=O)N(C)C1=O	InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
HMDB14605	Methylscopolamine	[Br-].[H][C@]12C[C@@H](C[C@@]([H])(C3OC13)[N+]2(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1	InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14+,15+,16?,17?;/m1./s1
HMDB14604	Nabumetone	COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2	InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
HMDB11543	MG(0:0/20:1(11Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h9-10,22,24-25H,2-8,11-21H2,1H3/b10-9-
HMDB11542	MG(0:0/20:0/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3
HMDB11541	MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,12-13,20,22-23H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,13-12-
HMDB11540	MG(0:0/18:3(9Z,12Z,15Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-
HMDB11547	MG(0:0/20:3(8Z,11Z,14Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,22,24-25H,2-5,8,11,14-21H2,1H3/b7-6-,10-9-,13-12-
HMDB11546	MG(0:0/20:3(5Z,8Z,11Z)/0:0)	[H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h9-10,12-13,15-16,22,24-25H,2-8,11,14,17-21H2,1H3/b10-9-,13-12-,16-15-
HMDB11545	MG(0:0/20:3(11Z,14Z,17Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h3-4,6-7,9-10,22,24-25H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-
HMDB11544	MG(0:0/20:2(11Z,14Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C23H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,22,24-25H,2-5,8,11-21H2,1H3/b7-6-,10-9-
HMDB11549	MG(0:0/20:4(8Z,11Z,14Z,17Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h3-4,6-7,9-10,12-13,22,24-25H,2,5,8,11,14-21H2,1H3/b4-3-,7-6-,10-9-,13-12-
HMDB52623	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20-25,29-30,32-33,57H,4-12,14-15,17-19,26-28,31,34-56H2,1-3H3/b16-13-,23-20-,24-21-,25-22-,32-29-,33-30-
HMDB52620	TG(18:2(9Z,12Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-40-43-46-49-52-55-58-64(66)69-62(60-67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)61-68-63(65)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,36,62H,4-19,21-22,24,26-27,30-35,37-61H2,1-3H3/b23-20-,28-25-,36-29-
HMDB52626	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-30,34-35,60H,4-15,17-18,22,26-27,31-33,36-59H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-29-,35-30-
HMDB52624	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-30,32-34,36,58H,4-15,17-18,22,26-27,31,35,37-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-29-,33-30-,36-34-
HMDB52628	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-30,32-35,38,41,47,50,60H,4-15,17-18,22,26-27,31,36-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,33-32-,34-29-,35-30-,41-38-,50-47-
HMDB59271	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,41-44,49-50,53-54,61-62,65-66,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB59270	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65,68-69,72,87-89,94H,5-9,12-13,16-20,24,29-31,36,40-42,49-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB59273	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-9,11-13,15-20,24,29-31,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB36089	(R)-Menthofuran	CC1CCC2=C(C1)OC=C2C	InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3
HMDB36088	(S)-p-Mentha-1,8-dien-7-ol	CC(=C)[C@H]1CCC(CO)=CC1	InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1
HMDB59272	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,41-45,49-50,53-54,61-62,65-66,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,36,39-40,46-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB36081	beta-Phellandrene	CC(C)C1CCC(=C)C=C1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
HMDB36080	(1S,4S)-Dihydrocarvone	C[C@H]1CC[C@@H](CC1=O)C(C)=C	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
HMDB36083	Carveol	CC(=C)C1CC=C(C)C(O)C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3
HMDB36082	(-)-cis-Carveol	CC(=C)[C@@H]1CC=C(C)[C@H](O)C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m1/s1
HMDB36085	Dehydro-1,8-cineole	CC1(C)OC2(C)CCC1C=C2	InChI=1S/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4,6,8H,5,7H2,1-3H3
HMDB36084	Isomintlactone	CC1CCC2=C(C)C(=O)OC2C1	InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3
HMDB36087	(R)-p-Mentha-1,8-dien-7-ol	CC(=C)[C@@H]1CCC(CO)=CC1	InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m0/s1
HMDB36086	(S)-alpha-Terpineol	[H][C@@]1(CCC(C)=CC1)C(C)(C)O	InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
HMDB59276	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,41-46,49-50,53-54,61-62,65-66,83-85,90H,5-20,23-24,27-32,39-40,47-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,53-49-,54-50-,65-61-,66-62-/t84-,85-/m1/s1
HMDB59279	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-20,24,28-32,40-42,50-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59278	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,42-43,45-47,50-52,54-56,62-64,66-68,85-87,92H,5-20,24,28-32,40-41,44,48-49,53,57-61,65,69-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,54-50-,55-51-,56-52-,66-62-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB48479	TG(16:1(9Z)/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h20-21,23-24,50H,4-19,22,25-49H2,1-3H3/b23-20-,24-21-
HMDB48478	TG(16:1(9Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB10632	PG(18:1(9Z)/18:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39-40,43-44H,3-16,18,20-38H2,1-2H3,(H,47,48)/b19-17-/t39-,40+/m0/s1
HMDB10633	PG(18:1(9Z)/18:1(11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39-40,43-44H,3-13,15,18,20-38H2,1-2H3,(H,47,48)/b16-14-,19-17-/t39-,40+/m0/s1
HMDB10630	PG(18:1(9Z)/16:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1
HMDB10631	PG(18:1(9Z)/16:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38+/m0/s1
HMDB10636	PG(18:1(9Z)/18:3(6Z,9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,39-40,43-44H,3-11,13,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1
HMDB10637	PG(18:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,39-40,43-44H,3-5,7,9-11,13,15-16,21-38H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB07128	DG(16:1(9Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36H,3-12,17-32H2,1-2H3/b15-13-,16-14-/t33-/m0/s1
HMDB07129	DG(16:1(9Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,35,38H,3-13,15,17-34H2,1-2H3/b16-14-/t35-/m0/s1
HMDB07126	DG(16:1(9Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C34H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(36)38-31-32(30-35)39-34(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,32,35H,3-12,14,16-31H2,1-2H3/b15-13-/t32-/m0/s1
HMDB07127	DG(16:1(9Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36H,3-12,14,16-32H2,1-2H3/b15-13-/t33-/m0/s1
HMDB07124	DG(16:1(9Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h13,15,31,34H,3-12,14,16-30H2,1-2H3/b15-13-/t31-/m0/s1
HMDB07125	DG(16:1(9Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C33H60O5/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12-13,15,31,34H,3-9,11,14,16-30H2,1-2H3/b12-10-,15-13-/t31-/m0/s1
HMDB07122	DG(16:0/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1
HMDB07123	DG(16:0/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41,44H,3-16,19-40H2,1-2H3/b18-17-/t41-/m0/s1
HMDB07120	DG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-/t39-/m0/s1
HMDB07121	DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1
HMDB54504	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,32-33,40,43,58H,4-7,9-10,12-15,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,43-40-
HMDB54505	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,32-33,38,40-41,43,58H,4-7,9-10,12-15,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-
HMDB54506	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,37,42,45,60H,4-7,9-10,12-15,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-
HMDB48476	TG(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,33,35,54H,4-6,8-9,11-15,17-18,21-22,24,27,30-32,34,36-53H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-33-
HMDB54500	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,34,60H,4-15,17-18,21-22,24,26-27,30-33,35-59H2,1-3H3/b19-16-,23-20-,28-25-,34-29-
HMDB54501	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,36,44,47,62H,4-15,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,36-27-,47-44-
HMDB54502	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,36,39,42,44,47,62H,4-15,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-
HMDB54503	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,36,39,42,44,47-48,51,62H,4-15,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB48471	TG(16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,33,35,41,44,54H,4-15,17-18,21-22,24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-33-,44-41-
HMDB54508	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,39,42,44,47,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-
HMDB54509	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,39,42,44,47-48,51,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB48470	TG(16:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,33,35,54H,4-15,17-18,21-22,24,27,30-32,34,36-53H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-33-
HMDB48473	TG(16:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,31,34,50H,4-6,8-9,11-15,17-18,21-22,24,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,34-31-
HMDB44839	TG(18:0/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h26,29,37,40,46,49,62H,4-25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b29-26-,40-37-,49-46-
HMDB44838	TG(18:0/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-
HMDB07694	DG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32,34,43,46H,3-5,7,9-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1
HMDB07695	DG(22:4(7Z,10Z,13Z,16Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,45,48H,3-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,25-23-,31-29-/t45-/m0/s1
HMDB07696	DG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1
HMDB07697	DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,45,48H,3-10,15-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1
HMDB07690	DG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,26-29,32,34,43,46H,3-10,12,14-16,21,23,25,30-31,33,35-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1
HMDB07691	DG(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,43,46H,3-10,15-16,21,23,25,30-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t43-/m0/s1
HMDB07692	DG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,32,34,43,46H,3-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1
HMDB07693	DG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,43,46H,3-5,7,9-10,15-16,21,23,25,30-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t43-/m0/s1
HMDB12777	4-hydroxy-D4-neuroprostane	CC\C=C/C\C=C/C\C=C/CC1C(\C=C\C(O)CCC(O)=O)C(O)CC1=O	InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-19,21,23,25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+
HMDB07698	DG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,45,48H,3-10,15-16,21-22,27-28,33-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1
HMDB07699	DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,45,48H,3-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1
HMDB44831	TG(18:0/24:0/20:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB44830	TG(18:0/24:0/18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h60H,4-59H2,1-3H3
HMDB44833	TG(18:0/24:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
HMDB44832	TG(18:0/24:0/22:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3
HMDB55017	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB44835	TG(18:0/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB55016	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,38,41-42,45,51,54,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB44834	TG(18:0/24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-
HMDB55019	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB44837	TG(18:0/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h26,34,60H,4-25,27-33,35-59H2,1-3H3/b34-26-
HMDB55018	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,53,56,66H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-52,54-55,57-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,56-53-
HMDB44836	TG(18:0/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20,23,60H,4-19,21-22,24-59H2,1-3H3/b23-20-
HMDB51555	TG(22:1(13Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,36,39,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-,39-36-
HMDB00473	6-Dimethylaminopurine	CN(C)C1=NC=NC2=C1NC=N2	InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
HMDB00472	5-Hydroxy-L-tryptophan	NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O	InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)
HMDB00474	Butanone	CCC(C)=O	InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
HMDB00477	7Z,10Z-Hexadecadienoic acid	CCCCC\C=C/C\C=C/CCCCCC(O)=O	InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,17,18)/b7-6-,10-9-
HMDB00476	3-Oxo-4,6-choladienoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C	InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1
HMDB00479	3-Methylhistidine	CN1C=NC=C1C[C@H](N)C(O)=O	InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
HMDB00478	Allodeoxycholic acid	[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18?,19+,20+,21+,23+,24-/m1/s1
HMDB47732	TG(14:1(9Z)/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2/h14,17,19,22,24-25,47H,4-13,15-16,18,20-21,23,26-46H2,1-3H3/b17-14-,22-19-,25-24-
HMDB40949	Melongoside F	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3
HMDB30647	Artemidinol	CC\C=C/C1=CC2=C(O)C=CC=C2C(=O)O1	InChI=1S/C13H12O3/c1-2-3-5-9-8-11-10(13(15)16-9)6-4-7-12(11)14/h3-8,14H,2H2,1H3/b5-3-
HMDB51557	TG(22:1(13Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,41,44,58H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-
HMDB49314	TG(18:1(11Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,60H,4-15,17-18,20,22-23,27,30-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-
HMDB40948	Melongoside K	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C51H82O22/c1-20-8-13-51(64-19-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(43(35(57)30(17-53)68-48)71-45-39(61)36(58)33(55)22(3)65-45)72-47-41(63)38(60)42(31(18-54)69-47)70-46-40(62)37(59)34(56)29(16-52)67-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3
HMDB04326	2'-O-Methyladenosine	COC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C12	InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)
HMDB53998	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-
HMDB53999	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-
HMDB53996	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-37,39-41,44,50,53,62H,4-6,9,12-15,22-24,31,33-34,38,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,53-50-
HMDB53997	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-37,39-41,44-45,48,50,53,62H,4-6,9,12-15,22-24,31,33-34,38,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,53-50-
HMDB49313	TG(18:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,36,42,45,58H,4-15,17-18,20,22-23,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-33-,45-42-
HMDB53995	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-6,8,11,13-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-
HMDB53992	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-
HMDB53993	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-
HMDB53990	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-37,39-41,44-45,48,50,53,62H,4-6,8-9,11-15,22-24,31,33-34,38,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,53-50-
HMDB53991	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,34,37-38,41,43,46,52,55,64H,4-7,9-10,12-15,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB49312	TG(18:1(11Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,36,58H,4-15,17-18,20,22-23,27,30-32,34-35,37-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-33-
HMDB57707	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,29-30,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1
HMDB57706	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57705	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,28-30,32,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1
HMDB57704	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-38,41-43,46-47,54-55,58-59,78-80,85H,5-20,23-24,29-30,35,39-40,44-45,48-53,56-57,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,41-38-,46-42-,47-43-,58-54-,59-55-/t78?,79-,80-/m1/s1
HMDB49311	TG(18:1(11Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,57H,4-13,15-16,18-20,22,27,29-56H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB57703	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-42,46,54,58,77-79,84H,5-20,22-24,29,34-35,39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,40-37-,41-38-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57702	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C80H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35-36,38-39,43,51,55,74-76,81H,5-20,22-24,29,34,37,40-42,44-50,52-54,56-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-36-,43-39-,55-51-/t74?,75-,76-/m1/s1
HMDB57701	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,27,29-31,38-39,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,57-53-,58-54-/t77?,78-,79-/m1/s1
HMDB57700	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,37,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,38-34-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB49310	TG(18:1(11Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,30,36,39,56H,4-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,39-36-
HMDB45832	TG(20:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,64H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-
HMDB53338	TG(20:2n6/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,36,39,45,48,61H,4-7,9-10,12-14,16,19,21-23,25,28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,39-36-,48-45-
HMDB53339	TG(20:2n6/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,33,35,41,44,63H,4-6,8-9,11-14,17,20-23,26,29-32,34,36-40,42-43,45-62H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,35-33-,44-41-
HMDB53332	TG(20:2n6/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,63H,4-14,17,20-23,26,29-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-
HMDB53333	TG(20:2n6/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,35,41,44,63H,4-14,17,20-23,26,29-32,34,36-40,42-43,45-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,35-33-,44-41-
HMDB53330	TG(20:2n6/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,36,39,61H,4-14,16,19,21-23,25,28,30-35,37-38,40-60H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,39-36-
HMDB53331	TG(20:2n6/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,36,39,45,48,61H,4-14,16,19,21-23,25,28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,39-36-,48-45-
HMDB53336	TG(20:2n6/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,33,39,42,59H,4-8,10-11,13,15-16,19-20,22,24-25,28-32,34-38,40-41,43-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,33-27-,42-39-
HMDB53337	TG(20:2n6/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,36,39,61H,4-7,9-10,12-14,16,19,21-23,25,28,30-35,37-38,40-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,39-36-
HMDB53334	TG(20:2n6/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,35,41,44,50,53,63H,4-14,17,20-23,26,29-32,34,36-40,42-43,45-49,51-52,54-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,35-33-,44-41-,53-50-
HMDB53335	TG(20:2n6/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,33,59H,4-8,10-11,13,15-16,19-20,22,24-25,28-32,34-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,33-27-
HMDB50971	TG(20:3(5Z,8Z,11Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34-35,38,40,43-44,47,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB50970	TG(20:3(5Z,8Z,11Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34-35,38,44,47,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,38-35-,47-44-
HMDB50973	TG(20:3(5Z,8Z,11Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB50972	TG(20:3(5Z,8Z,11Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36-37,39-40,46,49,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB49249	TG(18:1(11Z)/16:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,33,54H,4-15,17-18,22,26,28-29,31-32,34-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,33-30-
HMDB49248	TG(18:1(11Z)/16:1(9Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h13,16,20-25,53H,4-12,14-15,17-19,26-52H2,1-3H3/b16-13-,23-20-,24-21-,25-22-
HMDB10199	11b-PGF2a	CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19-/m0/s1
HMDB50976	TG(20:3(5Z,8Z,11Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h26,29,35,38,44,47,61H,4-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b29-26-,38-35-,47-44-
HMDB49245	TG(18:1(11Z)/16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,58H,4-19,22,26,28-57H2,1-3H3/b23-20-,24-21-,27-25-
HMDB49244	TG(18:1(11Z)/16:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,56H,4-19,22,26,28-55H2,1-3H3/b23-20-,24-21-,27-25-
HMDB49247	TG(18:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,32,35,52H,4-15,17-18,22,26,28-31,33-34,36-51H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,35-32-
HMDB57708	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,29-30,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB49243	TG(18:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,30,33,38,41,54H,4-19,22,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b23-20-,24-21-,27-25-,33-30-,41-38-
HMDB49242	TG(18:1(11Z)/16:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,54H,4-19,22,26,28-53H2,1-3H3/b23-20-,24-21-,27-25-
HMDB07908	PC(14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13-16,19-20,23,25,38H,6-12,17-18,21-22,24,26-37H2,1-5H3/b15-13-,16-14-,20-19-,25-23-/t38-/m1/s1
HMDB07909	PC(14:1(9Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h8,10,13-16,19-20,38H,6-7,9,11-12,17-18,21-37H2,1-5H3/b10-8-,15-13-,16-14-,20-19-/t38-/m1/s1
HMDB07904	PC(14:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13,15,38H,6-12,14,16-37H2,1-5H3/b15-13-/t38-/m1/s1
HMDB07905	PC(14:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13,15-16,18,38H,6-12,14,17,19-37H2,1-5H3/b15-13-,18-16-/t38-/m1/s1
HMDB07906	PC(14:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13,15,19-20,38H,6-12,14,16-18,21-37H2,1-5H3/b15-13-,20-19-/t38-/m1/s1
HMDB07907	PC(14:1(9Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13-16,19-20,38H,6-12,17-18,21-37H2,1-5H3/b15-13-,16-14-,20-19-/t38-/m1/s1
HMDB07900	PC(14:1(9Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C36H68NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h12-15,34H,6-11,16-33H2,1-5H3/b14-12-,15-13-/t34-/m1/s1
HMDB07901	PC(14:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C37H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38(3,4)5)33-43-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h13,15,35H,6-12,14,16-34H2,1-5H3/b15-13-/t35-/m1/s1
HMDB07902	PC(14:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h13,15,36H,6-12,14,16-35H2,1-5H3/b15-13-/t36-/m1/s1
HMDB07903	PC(14:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C38H72NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h13,15-16,18,36H,6-12,14,17,19-35H2,1-5H3/b15-13-,18-16-/t36-/m1/s1
HMDB06059	20-Carboxyleukotriene B4	O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC(O)=O	InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
HMDB49868	TG(18:1(9Z)/16:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-26,28,53H,4-12,14-15,17-20,23,27,29-52H2,1-3H3/b16-13-,24-21-,25-22-,28-26-
HMDB49861	TG(18:1(9Z)/16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,52H,4-20,22-23,29-51H2,1-3H3/b24-21-,27-25-,28-26-
HMDB06050	o-Tyrosine	NC(CC1=CC=CC=C1O)C(O)=O	InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)
HMDB49863	TG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,33,38,41,54H,4-20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,29-26-,33-30-,41-38-
HMDB49862	TG(18:1(9Z)/16:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29,54H,4-20,22-23,28,30-53H2,1-3H3/b24-21-,27-25-,29-26-
HMDB06055	4-Hydroxy-L-proline	OC1CN[C@@H](C1)C(O)=O	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1
HMDB49864	TG(18:1(9Z)/16:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h21,24-27,31,56H,4-20,22-23,28-30,32-55H2,1-3H3/b24-21-,27-25-,31-26-
HMDB49867	TG(18:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,32,35,52H,4-15,17-18,20,22-23,29-31,33-34,36-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,35-32-
HMDB49866	TG(18:1(9Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,26-29,53H,4-18,20,23,25,30-52H2,1-3H3/b22-19-,24-21-,28-26-,29-27-
HMDB30029	Isopentyl isopentanoate	CC(C)CCOC(=O)CC(C)C	InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
HMDB30028	Ethyl isovalerate	CCOC(=O)CC(C)C	InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
HMDB30025	1-Mercapto-2-propanone	CC(=O)CS	InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3
HMDB30024	Sarsasapogenin	[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2	InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
HMDB30027	Methyl 3-methylbutanoate	COC(=O)CC(C)C	InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
HMDB30026	Isohumulone A	CC(C)CC(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C	InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3
HMDB30021	Fucosterol	C\C=C(\C(C)C)CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1
HMDB30020	Withanolide B	CC(C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C)C1CC(C)=C(C)C(=O)O1	InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3
HMDB30023	Angeolide	CCC\C=C1/OC(=O)C2=CC3CCC12C1(OC(=O)C2=C1CCC=C2)C3CCC	InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11-
HMDB30022	Ikshusterol	CCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3
HMDB49211	TG(18:1(11Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,36,42,45,51,54,64H,4-16,18-19,22-23,25,27-28,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,45-42-,54-51-
HMDB56469	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,26-27,29-31,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,32-28-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1
HMDB56468	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1
HMDB56461	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,33-35,37-39,43,46,54,58,75-77,82H,5-20,22-24,26-32,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56460	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-26,30,33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56463	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h21-22,25-26,33-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-20,23-24,27-32,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1
HMDB56462	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-40,44,47,55,59,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1
HMDB56465	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB56464	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56467	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,26-32,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1
HMDB56466	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-9,11-13,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB40387	Acrimarine I	COC1=CC2=C(C=CC(=O)O2)C=C1C(C=C(C)C)C1=C(O)C2=C(N(C)C3=C(C=CC=C3O)C2=O)C2=C1OC(C)(C)C=C2	InChI=1S/C34H31NO7/c1-17(2)14-22(21-15-18-10-11-26(37)41-24(18)16-25(21)40-6)27-32(39)28-30(20-12-13-34(3,4)42-33(20)27)35(5)29-19(31(28)38)8-7-9-23(29)36/h7-16,22,36,39H,1-6H3
HMDB40386	Acrimarine J	COC1=CC2=C(C=CC(=O)O2)C=C1C(C=C(C)C)C1=C(O)C2=C(N(C)C3=C(C=CC(O)=C3OC)C2=O)C2=C1OC(C)(C)C=C2	InChI=1S/C35H33NO8/c1-17(2)14-22(21-15-18-8-11-26(38)43-24(18)16-25(21)41-6)27-32(40)28-29(20-12-13-35(3,4)44-33(20)27)36(5)30-19(31(28)39)9-10-23(37)34(30)42-7/h8-16,22,37,40H,1-7H3
HMDB40385	Neoacrimarine B	COC1=C(C2CC(C)(C)OC3=C(C4=C(C=C(C(=O)O4)C(C)(C)C=C)C(O)=C23)C(C)(C)C=C)C2=C(C(O)=C1)C(=O)C1=C(N2)C(OC)=C(O)C=C1	InChI=1S/C39H41NO9/c1-11-37(3,4)21-15-19-32(44)26-20(17-39(7,8)49-35(26)28(38(5,6)12-2)33(19)48-36(21)45)25-24(46-9)16-23(42)27-30(25)40-29-18(31(27)43)13-14-22(41)34(29)47-10/h11-16,20,41-42,44H,1-2,17H2,3-10H3,(H,40,43)
HMDB40384	Neoacrimarine A	COC1=C(OC)C2=C(C=C1)C(=O)C1=C(N2)C(C2CC(C)(C)OC3=C(C4=C(C=C(C(=O)O4)C(C)(C)C=C)C(O)=C23)C(C)(C)C=C)=C(OC)C=C1O	InChI=1S/C40H43NO9/c1-12-38(3,4)22-16-20-33(44)27-21(18-40(7,8)50-36(27)29(39(5,6)13-2)34(20)49-37(22)45)26-25(47-10)17-23(42)28-31(26)41-30-19(32(28)43)14-15-24(46-9)35(30)48-11/h12-17,21,42,44H,1-2,18H2,3-11H3,(H,41,43)
HMDB40383	()-Pandamarine	CC1=C\C(NC1=O)=C/CCCN1CCCCC11NC(=O)C(C)=C1	InChI=1S/C18H25N3O2/c1-13-11-15(19-16(13)22)7-3-5-9-21-10-6-4-8-18(21)12-14(2)17(23)20-18/h7,11-12H,3-6,8-10H2,1-2H3,(H,19,22)(H,20,23)/b15-7+
HMDB40382	Pummeline	COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1)N2C	InChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3
HMDB40381	N-Methylschinifoline	COC1=C(\C=C\C(C)=C)C(=O)N(C)C2=C1C=CC=C2	InChI=1S/C16H17NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-10H,1H2,2-4H3/b10-9+
HMDB40380	Schinifoline	COC1=C(\C=C\C(C)=C)C(=O)NC2=C1C=CC=C2	InChI=1S/C15H15NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-9H,1H2,2-3H3,(H,16,17)/b9-8+
HMDB51204	TG(20:3(5Z,8Z,11Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32-34,36-37,42,45,58H,4-8,10-11,13-16,19,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB03101	Violaxanthin	OC1C[C@@]2(C)O[C@]2(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]23O[C@]2(C)CC(O)CC3(C)C)C(C)(C)C1	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33?,34?,37-,38-,39-,40+/m1/s1
HMDB51206	TG(20:3(5Z,8Z,11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-39,44,47,60H,4-6,8-9,11-15,17,20,22-24,31-33,40-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-
HMDB51207	TG(20:3(5Z,8Z,11Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-39,43-44,46-47,60H,4-6,8-9,11-15,17,20,22-24,31-33,40-42,45,48-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB51200	TG(20:3(5Z,8Z,11Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-39,43-44,46-47,60H,4-15,17,20,22-24,31-33,40-42,45,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB51201	TG(20:3(5Z,8Z,11Z)/20:3n6/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,38-39,41,45,48,62H,4-15,17,20,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB40389	Erinacine C	CC(C)C1=C2C3CC=C(CO)C4OC5C(O)C(O)COC5OC4C3(C)CCC2(C)CC1	InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3
HMDB40388	Columbaridione	CC(C)C1=C(O)C(=O)C2=C(C3CC4C(C)(C)CCCC24C(=O)O3)C1=O	InChI=1S/C20H24O5/c1-9(2)12-15(21)13-10-8-11-19(3,4)6-5-7-20(11,18(24)25-10)14(13)17(23)16(12)22/h9-11,22H,5-8H2,1-4H3
HMDB31857	3-(Methylthio)propanal	CSCCC=O	InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
HMDB31856	()-2-Methyl-3-(4-methylphenyl)propanal	CC(CC1=CC=C(C)C=C1)C=O	InChI=1S/C11H14O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,8,10H,7H2,1-2H3
HMDB31855	5-Methyl-2-phenyl-2-hexenal	CC(C)C\C=C(\C=O)C1=CC=CC=C1	InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-
HMDB31854	3-Methyl-5-propyl-2-cyclohexen-1-one	CCCC1CC(C)=CC(=O)C1	InChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3
HMDB31853	2-Thiophenemethanethiol	SCC1=CC=CS1	InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
HMDB31852	2-Methoxy-3-methylpyrazine	COC1=C(C)N=CC=N1	InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
HMDB31851	3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol	CC1C2CC(CC2C2CCCC(O)C2)C1(C)C	InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3
HMDB31850	2-Ethoxy-3-methylpyrazine	CCOC1=C(C)N=CC=N1	InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
HMDB50157	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-7,9-10,12-15,18,21-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB50156	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,38-39,42,48,51,60H,4-7,9-10,12-15,18,21-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-
HMDB50155	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-33,37-38,40-41,46,49,58H,4-7,9-10,12-15,18,21-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-
HMDB50154	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-33,37,40,46,49,58H,4-7,9-10,12-15,18,21-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-
HMDB50153	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-15,18,21-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-
HMDB50152	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,40-41,43-44,50,53,62H,4-15,18,21-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-
HMDB31859	Norfuraneol	CC1=C(O)C(=O)CO1	InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3
HMDB31858	4-Methyl-5-vinylthiazole	CC1=C(SC=N1)C=C	InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3
HMDB03818	Androst-5-ene-3b,17b-diol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
HMDB08848	PE(14:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1
HMDB08849	PE(14:0/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,41H,3-15,18-40,44H2,1-2H3,(H,47,48)/b17-16-/t41-/m1/s1
HMDB48389	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-
HMDB48388	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,46,49,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-
HMDB08844	PE(14:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,39H,3-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
HMDB08845	PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,28,30,39H,3-10,12,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1
HMDB08846	PE(14:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,39H,3-4,6,8-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
HMDB08847	PE(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,39H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1
HMDB08840	PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,24,26,37H,3-4,6,8-10,12,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,17-16-,20-19-,26-24-/t37-/m1/s1
HMDB08841	PE(14:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
HMDB08842	PE(14:0/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h16-17,39H,3-15,18-38,42H2,1-2H3,(H,45,46)/b17-16-/t39-/m1/s1
HMDB08843	PE(14:0/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,39H,3-10,12,14-15,18-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-/t39-/m1/s1
HMDB55335	TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,13-15,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB29214	Quercetin-4'-glucuronide	OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O	InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)
HMDB48654	TG(16:1(9Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,53H,4-20,22-23,25,27,29-52H2,1-3H3/b24-21-,28-26-
HMDB29216	SM C16:1	CCCCCCC\C=C\CCCCCCC[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C\CCCCCC	InChI=1S/C40H79N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-39(43)38(37-48-49(45,46)47-36-35-42(3,4)5)41-40(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17-20,38-39,43H,6-16,21-37H2,1-5H3,(H-,41,44,45,46)/p+1/b19-17+,20-18+/t38-,39+/m0/s1
HMDB29217	Tyrosine methylester	COC(=O)[C@@H](N)CC1=CC=C(O)C=C1	InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
HMDB29210	Peonidin-3-galactoside	[Cl-].COC1=C(O)C=CC(=C1)C1=[O]C2=CC(O)=CC(O)=C2C=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C22H23O11.ClH/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22;/h2-7,17-20,22-29H,8H2,1H3;1H/p-1
HMDB48650	TG(16:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,32,54H,4-6,8-9,11-15,17-18,20,22-23,28,31,33-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,32-30-
HMDB29212	Quercetin 3-O-glucuronide	OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O	InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)
HMDB29213	Quercetin-3'-glucuronide	OC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O	InChI=1S/C21H20O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14-19,21-24,26-29H,(H,30,31)
HMDB29218	Urolithin C	OC1=CC=C2C(OC(=O)C3=C2C=C(O)C(O)=C3)=C1	InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H
HMDB29219	Urolithin D	OC1=CC2=C(C=C1O)C1=CC=C(O)C(O)=C1OC2=O	InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H
HMDB32315	Hexanal butane-2,3-diol acetal	CCCCCC1OC(C)C(C)O1	InChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3
HMDB32314	2,4-Hexadienyl propionate	CCC(=O)OCC=CC=CC	InChI=1S/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h3,5-7H,4,8H2,1-2H3/b5-3+,7-6+
HMDB32317	Hexanal hexyl isoamyl acetal	CCCCCCOC(CCCCC)OCCC(C)C	InChI=1S/C17H36O2/c1-5-7-9-11-14-18-17(12-10-8-6-2)19-15-13-16(3)4/h16-17H,5-15H2,1-4H3
HMDB32316	Hexanal dihexyl acetal	CCCCCCOC(CCCCC)OCCCCCC	InChI=1S/C18H38O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h18H,4-17H2,1-3H3
HMDB32311	2,4-Hexadienyl acetate	CC=CC=CCOC(C)=O	InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
HMDB32310	2-Heptyl butyrate	CCCCCC(CC)OC(=O)CCC	InChI=1S/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3
HMDB32313	2,4-Hexadienyl isobutyrate	CC=CC=CCOC(=O)C(C)C	InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3/b5-4+,7-6+
HMDB32312	2,4-Hexadienyl butyrate	CCCC(=O)OCC=CC=CC	InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3/b5-3+,7-6+
HMDB32319	cis-3-Hexenyl crotonate	CC\C=C/CCOC(=O)\C=C\C	InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+
HMDB32318	Hexanal octane-1,3-diol acetal	CCCCCC1CCOC(CCCCC)O1	InChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3
HMDB45388	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-7,9-10,12-15,18,21-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB45389	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-7,9-10,12-15,18,21-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB45384	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,36,42,45,57H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34-35,37-41,43-44,46-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,36-33-,45-42-
HMDB45385	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,43,46,58H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB45386	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB45387	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,45,48,60H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB45380	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB45381	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-,50-47-
HMDB45382	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,36,42,45,57H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34-35,37-41,43-44,46-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,36-33-,45-42-
HMDB45383	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28,30,32,35-36,39,41,44,56H,4-6,8-9,11-15,18,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB44558	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,39,42,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,27-25-,33-30-,42-39-
HMDB09326	PE(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-23,27,29,41H,3-5,7,9-11,13,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB44559	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,35,41,44,56H,4-7,9-10,12-16,18-19,21-25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-26-,35-32-,44-41-
HMDB09719	PE(24:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h18,25,45H,3-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b25-18-/t45-/m1/s1
HMDB09327	PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-23,26-29,41H,3-5,7,9-11,13,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1
HMDB09717	PE(24:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)/t45-/m1/s1
HMDB09716	PE(24:0/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1
HMDB09715	PE(24:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1
HMDB09714	PE(24:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C44H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45)53-44(47)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h42H,3-41,45H2,1-2H3,(H,48,49)/t42-/m1/s1
HMDB09713	PE(24:0/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,41H,3-9,11,13-40,44H2,1-2H3,(H,47,48)/b12-10-/t41-/m1/s1
HMDB09712	PE(24:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-25-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1
HMDB09711	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB09710	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB01520	Flavin Mononucleotide	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2	InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
HMDB01521	Tetradecanoyl-CoA	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30?,34-/m1/s1
HMDB01522	Methylguanidine	CNC(N)=N	InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)
HMDB07781	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H66O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32-35,43,46H,3-4,9-10,15-16,21,23,25,30-31,36-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1
HMDB30818	Scoparone	COC1=C(OC)C=C2C=CC(=O)OC2=C1	InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
HMDB01525	Imidazole	N1C=CN=C1	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
HMDB01526	S-Acetyldihydrolipoamide	CC(=O)SC(CCS)CCCCC(N)=O	InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)
HMDB01527	3-Methylthiopropionic acid	CSCCC(O)=O	InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
HMDB30814	Mammea E/BB	CCC(C)C(=O)C1=C2OC(=O)C=C(C(CC)OC(C)=O)C2=C(O)C(CC=C(C)C)=C1O	InChI=1S/C24H30O7/c1-7-13(5)21(27)20-23(29)15(10-9-12(3)4)22(28)19-16(11-18(26)31-24(19)20)17(8-2)30-14(6)25/h9,11,13,17,28-29H,7-8,10H2,1-6H3
HMDB37847	N-(1-Deoxy-1-fructosyl)tryptophan	OCC(O)C(O)C(O)C(=O)CNC(CC1=CNC2=C1C=CC=C2)C(O)=O.OCC1OC(O)(CNC(CC2=CNC3=C2C=CC=C3)C(O)=O)C(O)C1O.OC1COC(O)(CNC(CC2=CNC3=C2C=CC=C3)C(O)=O)C(O)C1O	InChI=1S/3C17H22N2O7/c20-13-7-26-17(25,15(22)14(13)21)8-19-12(16(23)24)5-9-6-18-11-4-2-1-3-10(9)11;20-7-13-14(21)15(22)17(25,26-13)8-19-12(16(23)24)5-9-6-18-11-4-2-1-3-10(9)11;20-8-14(22)16(24)15(23)13(21)7-19-12(17(25)26)5-9-6-18-11-4-2-1-3-10(9)11/h2*1-4,6,12-15,18-22,25H,5,7-8H2,(H,23,24);1-4,6,12,14-16,18-20,22-24H,5,7-8H2,(H,25,26)
HMDB30816	6-Acetyl-2,2-dimethyl-2H-1-benzopyran	CC(=O)C1=CC=C2OC(C)(C)C=CC2=C1	InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3
HMDB30817	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 8-O-b-D-Glucopyranoside	CC(=O)C1=C(C)C=C2C=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C2=C1O	InChI=1S/C19H22O9/c1-7-3-9-4-10(22)5-11(14(9)16(24)13(7)8(2)21)27-19-18(26)17(25)15(23)12(6-20)28-19/h3-5,12,15,17-20,22-26H,6H2,1-2H3
HMDB30810	Porson	COC1=C2C=C(CC(O)C(=O)CCCCC3=CC2=C(OC)C(OC)=C3O)C=C1	InChI=1S/C22H26O6/c1-26-19-9-8-13-10-15(19)16-12-14(20(25)22(28-3)21(16)27-2)6-4-5-7-17(23)18(24)11-13/h8-10,12,18,24-25H,4-7,11H2,1-3H3
HMDB30811	Prudomestin	COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C(OC)=C2O1	InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3
HMDB30812	Acerosin	COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2O	InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)12-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-12/h4-7,19,21-22H,1-3H3
HMDB09323	PE(20:3(5Z,8Z,11Z)/18:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17-19,21-23,27,29,41H,3-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB40400	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid; (1a,3b,22R,24E)-form, 3-O-b-D-Glucopyranoside, 26-O-[b-D-glucopyranosyl-(1-&gt;2)-6-acetyl-b-D-glucopyranosyl] ester	CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H76O21/c1-19(20(2)43(62)69-46-42(39(59)36(56)32(67-46)18-63-22(4)51)68-45-41(61)38(58)35(55)31(17-50)66-45)13-29(52)21(3)26-9-10-27-25-8-7-23-14-24(64-44-40(60)37(57)34(54)30(16-49)65-44)15-33(53)48(23,6)28(25)11-12-47(26,27)5/h7,21,24-42,44-46,49-50,52-61H,8-18H2,1-6H3/b20-19-
HMDB40401	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid; (1a,3b,22R,24E)-form, 3-O-b-D-Glucopyranoside, 26-O-[b-D-glucopyranosyl-(1-&gt;4)-b-D-glucopyranosyl-(1-&gt;2)-6-acetyl-b-D-glucopyranosyl] ester	CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H86O26/c1-20(13-30(59)22(3)27-9-10-28-26-8-7-24-14-25(73-49-43(68)39(64)36(61)31(16-55)74-49)15-35(60)54(24,6)29(26)11-12-53(27,28)5)21(2)48(71)80-52-47(41(66)38(63)34(77-52)19-72-23(4)58)79-51-45(70)42(67)46(33(18-57)76-51)78-50-44(69)40(65)37(62)32(17-56)75-50/h7,22,25-47,49-52,55-57,59-70H,8-19H2,1-6H3/b21-20-
HMDB40402	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid; (1a,3b,22R,24E)-form, 3-O-b-D-Glucopyranoside, 26-O-[b-D-glucopyranosyl-(1-&gt;4)-6-acetyl-b-D-glucopyranosyl-(1-&gt;2)-6-acetyl-b-D-glucopyranosyl] ester	CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C56H88O27/c1-21(14-32(61)23(3)29-10-11-30-28-9-8-26-15-27(76-51-45(70)41(66)38(63)33(17-57)77-51)16-37(62)56(26,7)31(28)12-13-55(29,30)6)22(2)50(73)83-54-49(43(68)40(65)35(79-54)19-74-24(4)59)82-53-47(72)44(69)48(36(80-53)20-75-25(5)60)81-52-46(71)42(67)39(64)34(18-58)78-52/h8,23,27-49,51-54,57-58,61-72H,9-20H2,1-7H3/b22-21-
HMDB40403	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid; (1a,3b,22R,24E)-form, 22-Ac, 3-O-b-D-glucopyranoside, 26-O-[b-D-glucopyranosyl-(1-&gt;4)-b-D-glucopyranosyl-(1-&gt;2)-6-acetyl-b-D-glucopyranosyl] ester	CC(C(C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC(C)=O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C56H88O27/c1-21(22(2)50(73)83-54-49(43(68)40(65)36(80-54)20-74-24(4)60)82-53-47(72)44(69)48(35(19-59)79-53)81-52-46(71)42(67)39(64)34(18-58)78-52)14-32(75-25(5)61)23(3)29-10-11-30-28-9-8-26-15-27(76-51-45(70)41(66)38(63)33(17-57)77-51)16-37(62)56(26,7)31(28)12-13-55(29,30)6/h8,23,27-49,51-54,57-59,62-72H,9-20H2,1-7H3/b22-21-
HMDB40404	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid; (1a,3b,22R,24E)-form, 22-Ac, 3-O-b-D-glucopyranoside, 26-O-[b-D-glucopyranosyl-(1-&gt;4)-6-acetyl-b-D-glucopyranosyl-(1-&gt;2)-6-acetyl-b-D-glucopyranosyl] ester	CC(C(C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC(C)=O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C58H90O28/c1-22(15-34(78-27(6)63)24(3)31-11-12-32-30-10-9-28-16-29(79-53-47(72)43(68)40(65)35(18-59)80-53)17-39(64)58(28,8)33(30)13-14-57(31,32)7)23(2)52(75)86-56-51(45(70)42(67)37(82-56)20-76-25(4)61)85-55-49(74)46(71)50(38(83-55)21-77-26(5)62)84-54-48(73)44(69)41(66)36(19-60)81-54/h9,24,29-51,53-56,59-60,64-74H,10-21H2,1-8H3/b23-22-
HMDB40405	1,3,11,22-Tetrahydroxyergosta-5,24-dien-26-oic acid; (1a,3b,11b,22R,24E)-form, 26-O-b-D-Glucopyranosyl ester	CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C	InChI=1S/C34H54O11/c1-15(16(2)31(43)45-32-30(42)29(41)28(40)25(14-35)44-32)10-23(37)17(3)21-8-9-22-20-7-6-18-11-19(36)12-26(39)34(18,5)27(20)24(38)13-33(21,22)4/h6,17,19-30,32,35-42H,7-14H2,1-5H3/b16-15-
HMDB40406	1,3,11,22-Tetrahydroxyergosta-5,24-dien-26-oic acid; (1a,3b,11b,22R,24E)-form, 26-O-[b-D-Glucopyranosyl-(1-&gt;2)-6-acetyl-b-D-glucopyranosyl] ester	CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C	InChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17-
HMDB40407	(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid	CC1CC(=O)C2=C(O1)C=C(O)C=C2CC(O)=O	InChI=1S/C12H12O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h3,5-6,13H,2,4H2,1H3,(H,15,16)
HMDB40408	7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid	CC1=CC(=O)C2=C(O1)C=C(O)C=C2CC(O)=O	InChI=1S/C12H10O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h2-3,5,13H,4H2,1H3,(H,15,16)
HMDB40409	3-Hydroxybutanoic acid, 9CI; ()-form, Et ester	CCOC(=O)CC(C)O	InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
HMDB51783	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,37,41,47,50,56,59,68H,4-17,19-20,22-24,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-37-,50-47-,59-56-
HMDB07785	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35,37,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t45-/m0/s1
HMDB51785	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-16,19,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB51784	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,34,36-37,42,45,51,54,63H,4-16,18-19,22-23,27,31-33,35,38-41,43-44,46-50,52-53,55-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,37-30-,45-42-,54-51-
HMDB51787	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37-38,41,43,46,52,55,64H,4-16,19,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB51786	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,34,36,42,45,51,54,63H,4-14,16,19,21-23,30-33,35,37-41,43-44,46-50,52-53,55-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,36-34-,45-42-,54-51-
HMDB46125	TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41-42,45,47,50,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-,50-47-
HMDB46124	TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-
HMDB46127	TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,60H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-59H2,1-3H3/b12-9-,21-18-,30-27-,39-36-
HMDB46126	TG(20:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,38,41,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-37,39-40,42-56H2,1-3H3/b12-9-,21-18-,31-27-,41-38-
HMDB46121	TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,30-31,36,38-39,41,56H,4-7,10,13-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-,39-36-,41-38-
HMDB46120	TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,30-31,38,41,56H,4-7,10,13-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-,41-38-
HMDB46123	TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,35,40-41,43-44,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-
HMDB46122	TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,35,40,43,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-
HMDB46129	TG(20:0/20:4(8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,30-27-,43-40-
HMDB46128	TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,62H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-61H2,1-3H3/b12-9-,21-18-,30-27-,41-38-
HMDB47838	TG(14:1(9Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-
HMDB47839	TG(14:1(9Z)/22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-15,17-18,50H,4-13,16,19-49H2,1-3H3/b17-14-,18-15-
HMDB44554	TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34,36-37,39,58H,4-6,9,12-15,18,21-24,29,31,33,35,38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-
HMDB47830	TG(14:1(9Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,34,37,56H,4-14,17,20-23,25,27-28,30,32-33,35-36,38-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,37-34-
HMDB47831	TG(14:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,34,37,43,46,56H,4-14,17,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,37-34-,46-43-
HMDB47832	TG(14:1(9Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-
HMDB34329	Stenocereol	CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3	InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)21-11-14-28(6)23-17-25(30)24-16-20(29)10-13-26(24,4)22(23)12-15-27(21,28)5/h8,19-21,24-25,29-30H,7,9-17H2,1-6H3
HMDB47834	TG(14:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,54H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-
HMDB47835	TG(14:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,38,41,54H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,41-38-
HMDB47836	TG(14:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,34,37,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-33,35-36,38-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,37-34-
HMDB47837	TG(14:1(9Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,34,37,43,46,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,37-34-,46-43-
HMDB48483	TG(16:1(9Z)/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,32,38,41,54H,4-20,22-23,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,32-30-,41-38-
HMDB33549	(E)-4-Hexenal	C\C=C/CCC=O	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-
HMDB33548	4-Hydroxy-5-methyl-3(2H)-thiophenone	CC1=C(O)C(=O)CS1	InChI=1S/C5H6O2S/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3
HMDB33547	3-Octen-2-one	CCCC\C=C\C(C)=O	InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
HMDB33546	2,5-Undecadienal	CCCCC\C=C/C\C=C\C=O	InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7,9-11H,2-5,8H2,1H3/b7-6-,10-9+
HMDB33545	(2E,4Z,7Z)-2,4,7-Tridecatrienal	CCCCC\C=C/C\C=C\C=C\C=O	InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6-,10-9+,12-11+
HMDB33544	(2E,4Z,7Z)-2,4,7-Decatrienal	CC\C=C/C\C=C/C=C/C=O	InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3-,7-6-,9-8+
HMDB33543	Assafoetidin	C\C(CCC1=C(C)CCC(O)C1(C)C)=C\COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,22,25H,5-6,10-11,14H2,1-4H3/b16-13-
HMDB33542	Gomphidic acid	OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC(O)=C(O)C(O)=C1)\C1=CC=C(O)C=C1	InChI=1S/C18H12O9/c19-9-3-1-7(2-4-9)13(17(24)25)16-15(23)12(18(26)27-16)8-5-10(20)14(22)11(21)6-8/h1-6,19-23H,(H,24,25)/b16-13-
HMDB33541	Safflor Yellow B	OCC(O)C(O)C(O)C(O)C(C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C1=O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O	InChI=1S/C48H54O27/c49-13-22(56)30(57)36(63)35(62)27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(68)47(72,43(28)70)45-39(66)37(64)31(58)23(14-50)74-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(69)48(73,44(29)71)46-40(67)38(65)32(59)24(15-51)75-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-73H,13-15H2/b11-5-,12-6+
HMDB33540	Fragransin D3	COC1=CC=C(C=C1OC)C1OC(C(C)C1C)C1=CC(OC)=C(O)C(OC)=C1	InChI=1S/C22H28O6/c1-12-13(2)22(15-10-18(26-5)20(23)19(11-15)27-6)28-21(12)14-7-8-16(24-3)17(9-14)25-4/h7-13,21-23H,1-6H3
HMDB28994	Phenylalanyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C14H18N2O5/c15-10(6-7-12(17)18)13(19)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)/p-1
HMDB28995	Phenylalanyl-Glycine	NCC(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)
HMDB34005	Dotriacontane	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
HMDB31036	Palmitone	CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC	InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
HMDB34003	Erythrabyssin II	CC(C)=CCC1=C(O)C=C2OCC3C(OC4=C(CC=C(C)C)C(O)=CC=C34)C2=C1	InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
HMDB28991	Phenylalanyl-Aspartate	NC(CC(O)=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)
HMDB28992	Phenylalanyl-Cysteine	NC(CS)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C12H16N2O3S/c13-9(7-18)11(15)14-10(12(16)17)6-8-4-2-1-3-5-8/h1-5,9-10,18H,6-7,13H2,(H,14,15)(H,16,17)
HMDB34000	Panaxydol	CCCCCCCC1OC1CC#CC#CC(O)C=C	InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3
HMDB44413	TG(16:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,42,45,58H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-,45-42-
HMDB44412	TG(16:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,58H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-
HMDB44411	TG(16:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,37,40,56H,4-7,9-10,12-15,18,21-24,28-30,32-36,38-39,41-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,40-37-
HMDB44410	TG(16:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,56H,4-7,9-10,12-15,18,21-24,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-
HMDB31039	Heptadecanal	CCCCCCCCCCCCCCCCC=O	InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
HMDB31038	2,9-Heptadecadiene-4,6-diyne-1,8-diol, 8CI; (2Z,8S,9Z)-form, 1-Ac	CCCCCCC\C=C\C(O)C#CC#C\C=C/COC(C)=O	InChI=1S/C19H26O3/c1-3-4-5-6-7-9-12-15-19(21)16-13-10-8-11-14-17-22-18(2)20/h11-12,14-15,19,21H,3-7,9,17H2,1-2H3/b14-11-,15-12+
HMDB34009	Trifolian	COC1=C(O)C=C2OCC3C(OC4=CC5=C(OCO5)C=C34)C2=C1O	InChI=1S/C17H14O7/c1-20-17-9(18)3-13-14(15(17)19)16-8(5-21-13)7-2-11-12(23-6-22-11)4-10(7)24-16/h2-4,8,16,18-19H,5-6H2,1H3
HMDB34008	Methylnissolin	COC1=C(OC)C2=C(C=C1)C1COC3=C(C=CC(O)=C3)C1O2	InChI=1S/C17H16O5/c1-19-13-6-5-10-12-8-21-14-7-9(18)3-4-11(14)15(12)22-16(10)17(13)20-2/h3-7,12,15,18H,8H2,1-2H3
HMDB39556	Ginsenoside F3	CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C	InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-52-35-32(49)29(46)24(44)18-51-35)21-11-15-39(6)28(21)22(42)16-26-38(5)14-12-27(45)37(3,4)34(38)23(43)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3
HMDB39557	12alpha-Hydroxy-13,18-dehydroparain	COC1=CC(C)C2CC3OC(=O)CC4C(=C)C(O)C(O)C(C34C)C2(C)C1=O	InChI=1S/C21H28O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9,11-12,14,16-18,23-24H,2,7-8H2,1,3-5H3
HMDB39554	Ginsenoside Rh1	CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3
HMDB39555	Ginsenoside F1	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C	InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3
HMDB39552	Ginsenoside Rs2	CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)38(62)31(74-49)23-71-47-43(67)37(61)29(21-57)72-47)26-12-17-54(8)35(26)27(59)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)39(63)30(75-50)22-70-25(3)58)77-48-44(68)40(64)36(60)28(20-56)73-48/h11,26-50,56-57,59-69H,10,12-23H2,1-9H3
HMDB39553	Lyciumoside III	C\C(CC\C=C(/C)CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C32H56O13/c1-7-32(6,45-30-28(40)26(38)24(36)21(17-34)43-30)15-9-12-18(2)10-8-11-19(3)13-14-22(31(4,5)41)44-29-27(39)25(37)23(35)20(16-33)42-29/h7,11-12,20-30,33-41H,1,8-10,13-17H2,2-6H3/b18-12+,19-11+
HMDB39550	Ginsenoside RA0	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C60H102O28/c1-24(2)10-9-14-60(8,88-53-48(78)43(73)40(70)31(84-53)23-79-51-46(76)41(71)36(66)27(19-61)80-51)25-11-16-59(7)35(25)26(65)18-33-57(5)15-13-34(56(3,4)32(57)12-17-58(33,59)6)85-54-49(44(74)38(68)29(21-63)82-54)87-55-50(45(75)39(69)30(22-64)83-55)86-52-47(77)42(72)37(67)28(20-62)81-52/h10,25-55,61-78H,9,11-23H2,1-8H3
HMDB39551	Ginsenoside Ra3	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-46(75)42(71)39(68)31(82-53)23-78-51-47(76)48(40(69)30(21-62)79-51)84-50-44(73)36(65)27(64)22-77-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-54-49(43(72)38(67)29(20-61)81-54)85-52-45(74)41(70)37(66)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3
HMDB58634	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,52-53,56-57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-51,54-55,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,56-52-,57-53-/t84?,85-,86-/m1/s1
HMDB39558	1alpha-O-Methylquassin	COC1C(OC)=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C34C)C12C	InChI=1S/C23H32O6/c1-11-8-15(26-5)21(28-7)23(4)13(11)9-16-22(3)14(10-17(24)29-16)12(2)19(27-6)18(25)20(22)23/h8,11,13-14,16,20-21H,9-10H2,1-7H3
HMDB39559	Ginsenoside M6a	CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H82O19/c1-43(2,61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+
HMDB58635	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB42712	TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,58H,4-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB42713	TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB42710	TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,40,43,56H,4-15,18,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB42711	TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31,33,37,40,58H,4-15,18,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-,40-37-
HMDB42716	TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB42717	TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,40,43,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB42714	TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,36,54H,4-7,9-10,12-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-
HMDB42715	TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,35-36,38,54H,4-7,9-10,12-15,18,21-23,27,31-32,34,37,39-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-
HMDB42718	TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB42719	TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB44336	TG(16:0/20:3n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,58H,4-16,18-19,21-25,27,29-33,35-36,38-57H2,1-3H3/b20-17-,28-26-,37-34-
HMDB13609	D-Tryptophan	N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
HMDB07430	DG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,41,44H,3-10,15-16,21-23,25,27-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,26-24-/t41-/m0/s1
HMDB07431	DG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,41,44H,3-10,15-16,21-23,25,27-29,31,33-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t41-/m0/s1
HMDB09496	PE(22:0/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,26,28,32,34,45H,3-17,19,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b20-18-,28-26-,34-32-/t45-/m1/s1
HMDB07433	DG(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,41,44H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t41-/m0/s1
HMDB07434	DG(20:2(11Z,14Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,43,46H,3-11,13,15-17,19,21-42H2,1-2H3/b14-12-,20-18-/t43-/m0/s1
HMDB07435	DG(20:2(11Z,14Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,43,46H,3-11,13,15-16,21-42H2,1-2H3/b14-12-,19-17-,20-18-/t43-/m0/s1
HMDB38209	Humulene epoxide I	C\C1=C\CCC2(C)OC2CC(C)(C)C=CC1	InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-
HMDB38208	Humuladienone	CC1C\C=C/C(C)(C)C\C=C(C)/CCC1=O	InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5-,12-9-
HMDB07436	DG(20:2(11Z,14Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43,46H,3-10,15-16,21-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t43-/m0/s1
HMDB38201	4,7(11)-Guaiadien-8-one	CC1CC(=O)C(CC2=C(C)CCC12)=C(C)C	InChI=1S/C15H22O/c1-9(2)13-8-14-10(3)5-6-12(14)11(4)7-15(13)16/h11-12H,5-8H2,1-4H3
HMDB38200	Calamusenone	CC1CCC2=C1CC(=C(C)C)C(=O)CC2C	InChI=1S/C15H22O/c1-9(2)13-8-14-10(3)5-6-12(14)11(4)7-15(13)16/h10-11H,5-8H2,1-4H3
HMDB38203	omega-Cadinene	CC(C)C1CCC(C)=C2CC=C(C)CC12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,10,13,15H,6-9H2,1-4H3
HMDB07437	DG(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,43,46H,3-10,15-16,21,23,25-27,29,31-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t43-/m0/s1
HMDB38205	alpha-Cadinene	[H][C@@]12CCC(C)=C[C@@]1([H])[C@@H](CC=C2C)C(C)C	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1
HMDB38204	alpha-Corocalene	CC(C)C1=C2C=C(C)CCC2=C(C)C=C1	InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8-10H,5,7H2,1-4H3
HMDB38207	gamma-Cadinene	[H][C@@]12CCC(C)=C[C@@]1([H])[C@@H](CCC2=C)C(C)C	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1
HMDB38206	gamma-Muurolene	CC(C)C1CCC(=C)C2CCC(C)=CC12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3
HMDB37068	Curlone	CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1	InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3
HMDB37069	Acoragermacrone	CC(C)C1CC\C(C)=C/CC\C(C)=C/C1=O	InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14H,5,7-9H2,1-4H3/b12-6-,13-10-
HMDB37064	FS4 toxin	CC1(CC(=O)C=C1CO)C1(C)CCC(C)(O)C=C1	InChI=1S/C15H22O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,16,18H,5,7,9-10H2,1-3H3
HMDB37065	3-Oxo-12,18-ursadien-28-oic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2=C1C)C(O)=O	InChI=1S/C30H44O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-22H,9-17H2,1-7H3,(H,32,33)
HMDB37066	beta-Caryophyllene alcohol	CC1(C)CC2C1CCC1(C)CCCC2(O)C1	InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3
HMDB37067	Zingiberenol	CC(CCC=C(C)C)C1CCC(C)(O)C=C1	InChI=1S/C15H26O/c1-12(2)6-5-7-13(3)14-8-10-15(4,16)11-9-14/h6,8,10,13-14,16H,5,7,9,11H2,1-4H3
HMDB37060	3,7(11)-Eudesmadiene	CC(C)=C1CCC2(C)CCC=C(C)C2C1	InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,14H,5,7-10H2,1-4H3
HMDB37061	(+)-4,11-Eudesmadien-3-one	CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1	InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3
HMDB37062	Sporotrichiol	CC(C)CC(=O)OC1CC2(CO)C(OC3C(O)CC2(C)C32CO2)C=C1C	InChI=1S/C20H30O6/c1-11(2)5-16(23)25-14-8-19(9-21)15(6-12(14)3)26-17-13(22)7-18(19,4)20(17)10-24-20/h6,11,13-15,17,21-22H,5,7-10H2,1-4H3
HMDB37063	Toxin FS2	CC1(CC(O)C=C1CO)C1(C)CCC(C)(O)C=C1	InChI=1S/C15H24O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,12,16-18H,5,7,9-10H2,1-3H3
HMDB35273	1-Acetoxy-2-hydroxy-5,12,15-heneicosatrien-4-one	CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)C[C@@H](O)COC(C)=O	InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,17-18,23,26H,3-6,9,12-16,19-20H2,1-2H3/b8-7-,11-10-,18-17+/t23-/m1/s1
HMDB35272	p-Menthan-2-one	CC(C)C1CCC(C)C(=O)C1	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3
HMDB08435	PC(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29-32,44H,6-13,18-19,23,27-28,33-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
HMDB08434	PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,30,32,44H,6-13,18-19,23,27-29,31,33-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB08437	PC(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29-32,44H,6-8,10,12-13,18-19,23,27-28,33-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
HMDB08436	PC(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,30,32,44H,6-8,10,12-13,18-19,23,27-29,31,33-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB08431	PC(20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,30,32,44H,6-13,15,17-19,21,23-24,27-29,31,33-43H2,1-5H3/b16-14-,22-20-,26-25-,32-30-/t44-/m1/s1
HMDB08430	PC(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,28,30,42H,6-13,15,18,22,24,26-27,29,31-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-,30-28-/t42-/m1/s1
HMDB08433	PC(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,30,32,44H,6-13,15,17-19,23,27-29,31,33-43H2,1-5H3/b16-14-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB08432	PC(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,30,32,44H,6-13,15,18,21,23-24,27-29,31,33-43H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,32-30-/t44-/m1/s1
HMDB08439	PC(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,32,34,46H,6-13,15,17-19,24-25,27,29-31,33,35-45H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1
HMDB08438	PC(20:4(5Z,8Z,11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,46H,6-13,15,17-19,21,23-25,27,29-31,33,35-45H2,1-5H3/b16-14-,22-20-,28-26-,34-32-/t46-/m1/s1
HMDB52803	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h7,10,14,16-17,19,21,23-26,28,30,32-33,35,39,42,60H,4-6,8-9,11-13,15,18,20,22,27,29,31,34,36-38,40-41,43-59H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,33-32-,35-30-,42-39-
HMDB52802	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-34,38-39,41-42,59H,4-6,8-9,11-15,17,22,24,26,30,35-37,40,43-58H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,42-39-
HMDB52801	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28-30,32-35,39,42,60H,4-6,8-9,11-15,17-18,22,26-27,31,36-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,33-32-,34-29-,35-30-,42-39-
HMDB52800	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,36,42,45,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,36-33-,45-42-
HMDB52807	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,33-37,41-42,44-45,63H,4-7,9-10,12-15,18,22-23,27,31-32,38-40,43,46-62H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-
HMDB52806	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,34,36-37,42,45,63H,4-7,9-10,12-15,18,22-23,27,31-33,35,38-41,43-44,46-62H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-34-,37-30-,45-42-
HMDB52805	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-36,39-40,43,45,48,61H,4-6,8-9,11-15,18,22-23,27,31,33,37-38,41-42,44,46-47,49-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-
HMDB52804	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-36,39-40,43,61H,4-6,8-9,11-15,18,22-23,27,31,33,37-38,41-42,44-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-
HMDB52809	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,38,41,59H,4-6,8,11,13-15,17,22,24,26,30,35-37,39-40,42-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-
HMDB52808	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,33-37,41-42,44-45,50,53,63H,4-7,9-10,12-15,18,22-23,27,31-32,38-40,43,46-49,51-52,54-62H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,53-50-
HMDB35279	8-Methyl-3-hentriacontene	CCCCCCCCCCCCCCCCCCCCCCCC(C)CCC\C=C\CC	InChI=1S/C32H64/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-32(3)30-28-26-9-7-5-2/h7,9,32H,4-6,8,10-31H2,1-3H3/b9-7+
HMDB41338	4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxy-7-prenylxanthone	CC(C)=CCC1=CC2=C(OC3=C(C(O)=CC(O)=C3C(C)(C)C=C)C2=O)C(O)=C1O	InChI=1S/C23H24O6/c1-6-23(4,5)17-15(25)10-14(24)16-19(27)13-9-12(8-7-11(2)3)18(26)20(28)21(13)29-22(16)17/h6-7,9-10,24-26,28H,1,8H2,2-5H3
HMDB44079	TG(16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,29-28-,35-33-,44-41-
HMDB58788	CL(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-42,77-79,84H,5-24,27-28,31-34,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,40-36-,41-37-,42-38-/t78-,79-/m1/s1
HMDB58789	CL(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-43,78-80,85H,5-24,28,32-35,44-77H2,1-4H3,(H,90,91)(H,92,93)/b29-25-,30-26-,31-27-,40-36-,41-37-,42-38-,43-39-/t78?,79-,80-/m1/s1
HMDB36339	Fevicordin F; 6,7-Didehydro, 25-Ac, 3-O-[b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(=O)OC(C)(C)\C=C\C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C=C(O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)=C4C)C3(C)C(=O)CC12C	InChI=1S/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+
HMDB36338	Fevicordin F; 6,7-Didehydro, 25-Ac, 3-O-b-D-glucopyranoside	CC(=O)OC(C)(C)\C=C\C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C=C(O)C(OC5OC(CO)C(O)C(O)C5O)=C4C)C3(C)C(=O)CC12C	InChI=1S/C37H52O13/c1-17-19-9-10-24-34(5)14-22(41)31(37(8,47)25(42)11-12-33(3,4)50-18(2)39)35(34,6)15-26(43)36(24,7)20(19)13-21(40)30(17)49-32-29(46)28(45)27(44)23(16-38)48-32/h9-13,22-25,27-29,31-32,38,40-42,44-47H,14-16H2,1-8H3/b12-11+
HMDB36337	Fevicordin F; 6,7-Didehydro, 3-O-[b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)=CC2=C1C=CC1C3(C)CC(O)C(C(C)(O)C(O)\C=C\C(C)(C)O)C3(C)CC(=O)C21C	InChI=1S/C41H60O17/c1-17-18-8-9-24-38(4)13-21(44)34(41(7,54)25(45)10-11-37(2,3)53)39(38,5)14-26(46)40(24,6)19(18)12-20(43)33(17)58-36-32(52)30(50)28(48)23(57-36)16-55-35-31(51)29(49)27(47)22(15-42)56-35/h8-12,21-25,27-32,34-36,42-45,47-54H,13-16H2,1-7H3/b11-10+
HMDB36336	Prodelphinidin A1	OC1CC2=C(O)C=C3OC4(OC5=CC(O)=CC(O)=C5C(C4O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C30H24O14/c31-11-5-14(33)22-20(6-11)43-30(10-3-17(36)26(40)18(37)4-10)29(41)24(22)23-21(44-30)8-13(32)12-7-19(38)27(42-28(12)23)9-1-15(34)25(39)16(35)2-9/h1-6,8,19,24,27,29,31-41H,7H2
HMDB36335	2,4,6-Phenanthrenetriol; 2-O-b-D-Glucopyranoside	OCC1OC(OC2=CC3=C(C(O)=C2)C2=C(C=CC(O)=C2)C=C3)C(O)C(O)C1O	InChI=1S/C20H20O8/c21-8-15-17(24)18(25)19(26)20(28-15)27-12-5-10-2-1-9-3-4-11(22)6-13(9)16(10)14(23)7-12/h1-7,15,17-26H,8H2
HMDB13991	5'-Hydroxylornoxicam	CN1C(C(=O)NC2=CC=C(O)C=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O	InChI=1S/C13H10ClN3O5S2/c1-17-10(13(20)16-9-3-2-6(18)5-15-9)11(19)12-7(24(17,21)22)4-8(14)23-12/h2-5,18-19H,1H3,(H,15,16,20)
HMDB36333	4'-Hydroxyacetophenone, 8CI; O-[4-Hydroxy-3,5-dimethoxybenzoyl-(-&gt;5)-b-D-apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	COC1=CC(=CC(OC)=C1O)C(=O)OCC1(O)COC(OC2C(O)C(O)C(CO)OC2OC2=CC=C(C=C2)C(C)=O)C1O	InChI=1S/C28H34O15/c1-13(30)14-4-6-16(7-5-14)41-26-23(22(33)21(32)19(10-29)42-26)43-27-24(34)28(36,12-40-27)11-39-25(35)15-8-17(37-2)20(31)18(9-15)38-3/h4-9,19,21-24,26-27,29,31-34,36H,10-12H2,1-3H3
HMDB13997	6-Hydroxymethyletoricoxib	CS(=O)(=O)C1=CC=C(C=C1)C1=C(N=CC(Cl)=C1)C1=CN=C(CO)C=C1	InChI=1S/C18H15ClN2O3S/c1-25(23,24)16-6-3-12(4-7-16)17-8-14(19)10-21-18(17)13-2-5-15(11-22)20-9-13/h2-10,22H,11H2,1H3
HMDB36331	6''-O-Acetylholocalin	CC(=O)OCC1OC(OC(C#N)C2=CC(O)=CC=C2)C(O)C(O)C1O	InChI=1S/C16H19NO8/c1-8(18)23-7-12-13(20)14(21)15(22)16(25-12)24-11(6-17)9-3-2-4-10(19)5-9/h2-5,11-16,19-22H,7H2,1H3
HMDB13995	Hydroxycelecoxib	NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(CO)C=C1)C(F)(F)F	InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)
HMDB34780	Capsiate	COC1=CC(COC(=O)CCCC\C=C\C(C)C)=CC=C1O	InChI=1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+
HMDB34781	Dihydrocapsiate	COC1=CC(COC(=O)CCCCCCC(C)C)=CC=C1O	InChI=1S/C18H28O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h10-12,14,19H,4-9,13H2,1-3H3
HMDB34782	Benzyl sulfate	OS(=O)(=O)OCC1=CC=CC=C1	InChI=1S/C7H8O4S/c8-12(9,10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)
HMDB34783	cis-p-Menthane-1,7,8-triol	CC(C)(O)C1CCC(O)(CO)CC1	InChI=1S/C10H20O3/c1-9(2,12)8-3-5-10(13,7-11)6-4-8/h8,11-13H,3-7H2,1-2H3
HMDB34784	p-Menthane-1,7,8-triol; (1RS,4RS)-form, 8-O-b-D-Glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1	InChI=1S/C16H30O8/c1-15(2,9-3-5-16(22,8-18)6-4-9)24-14-13(21)12(20)11(19)10(7-17)23-14/h9-14,17-22H,3-8H2,1-2H3
HMDB34785	Vitisifuran A	OC1=CC=C(C=C1)C1OC2=C3C1C1=C(C(C(C3=CC(O)=C2)C2=C(O)C=CC(\C=C\C3=CC(O)=CC4=C3C(=C(O4)C3=CC=C(O)C=C3)C3=C(O)C=C(O)C=C3)=C2)C2=CC=C(O)C=C2)C(O)=CC(O)=C1	InChI=1S/C56H40O12/c57-32-10-4-28(5-11-32)49-50(41-22-38(63)26-47-52(41)54(42-21-37(62)24-45(66)51(42)49)56(68-47)30-8-14-34(59)15-9-30)40-19-27(2-18-43(40)64)1-3-31-20-36(61)25-46-48(31)53(39-17-16-35(60)23-44(39)65)55(67-46)29-6-12-33(58)13-7-29/h1-26,49-50,54,56-66H/b3-1+
HMDB34786	1,8-Epoxy-p-menthane-2,7-diol; (1S,2S,4S)-form, 2-O-b-D-Glucopyranoside	CC1(C)OC2(CO)CCC1CC2OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O8/c1-15(2)8-3-4-16(7-18,24-15)10(5-8)23-14-13(21)12(20)11(19)9(6-17)22-14/h8-14,17-21H,3-7H2,1-2H3
HMDB34787	Neoacrimarine J	COC1=CC2=C(C(O)=C1)C(=O)C1=CC=C(O)C(OC3C(O)C(C)(C)OC4=C3C3=C(C=CC(=O)O3)C=C4)=C1N2	InChI=1S/C28H23NO9/c1-28(2)27(34)26(21-18(38-28)8-4-12-5-9-19(32)36-24(12)21)37-25-16(30)7-6-14-22(25)29-15-10-13(35-3)11-17(31)20(15)23(14)33/h4-11,26-27,30-31,34H,1-3H3,(H,29,33)
HMDB34788	Neoacrimarine I	COC1=CC2=C(C(O)=C1)C(=O)C1=CC=C(OC)C(OC3C(O)C(C)(C)OC4=C3C3=C(C=CC(=O)O3)C=C4)=C1N2	InChI=1S/C29H25NO9/c1-29(2)28(34)27(22-18(39-29)8-5-13-6-10-20(32)37-25(13)22)38-26-19(36-4)9-7-15-23(26)30-16-11-14(35-3)12-17(31)21(16)24(15)33/h5-12,27-28,31,34H,1-4H3,(H,30,33)
HMDB34789	Phosphoryl chloride	ClP(Cl)(Cl)=O	InChI=1S/Cl3OP/c1-5(2,3)4
HMDB58430	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58431	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38,40,43,50,54,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58432	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,37,39,42,44,52,56,77-79,84H,5-20,22-24,26,28-30,32,35-36,38,40-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,39-34-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58433	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38,40,43,50,54,75-77,82H,5-20,22-24,26,29-30,35,37,39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,36-33-,38-34-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58434	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,37,39,42,44,52,56,77-79,84H,5-20,22-24,26,29-30,35-36,38,40-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,37-33-,39-34-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58435	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,39,41-42,44,52,56,77-79,84H,5-20,22-24,26,28-30,32,35,38,40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,39-34-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58436	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35,37-38,40,42-43,45,53,57,78-80,85H,5-20,22-24,27,29,31,34,36,39,41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,32-28-,37-33-,40-35-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB58437	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-35,37-38,41,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27,29-31,36,39-40,42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,37-33-,38-34-,41-35-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB58438	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-35,37-38,40,42-43,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,27,29-31,36,39,41,44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB58439	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB34876	Castaneiolide	CCCCCC1CC2=C(C(O)C(O)(CCCC)CC3=C1C(=O)OC3=O)C(=O)OC2=O	InChI=1S/C22H28O8/c1-3-5-7-8-12-10-13-16(21(27)29-18(13)24)17(23)22(28,9-6-4-2)11-14-15(12)20(26)30-19(14)25/h12,17,23,28H,3-11H2,1-2H3
HMDB34877	2-Acetyl-3-methylfuran	CC(=O)C1=C(C)C=CO1	InChI=1S/C7H8O2/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3
HMDB34874	1,8-Epoxy-p-menthane-2,4-diol; (1S,2S,4S)-form, 2-O-b-D-Glucopyranoside	CC1(C)OC2(C)CCC1(O)CC2OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O8/c1-14(2)16(21)5-4-15(3,24-14)9(6-16)23-13-12(20)11(19)10(18)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3
HMDB34875	2,3-Dihydroxy-30-nor-23-oxo-12,20(29)-oleanadien-28-oic acid; (2b,3b)-form, 23-Carboxylic acid, 3-O-b-D-glucuronopyranoside, 28-O-b-D-glucopyranosyl ester	CC12CC(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C(C)(C1CCC1(C)C2CC=C2C3CC(=C)CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)C(O)=O	InChI=1S/C41H60O17/c1-17-8-11-41(36(54)58-33-28(48)25(45)24(44)21(16-42)55-33)13-12-38(3)18(19(41)14-17)6-7-22-37(2)15-20(43)31(40(5,35(52)53)23(37)9-10-39(22,38)4)57-34-29(49)26(46)27(47)30(56-34)32(50)51/h6,19-31,33-34,42-49H,1,7-16H2,2-5H3,(H,50,51)(H,52,53)
HMDB34872	Cheritamine	CCCC\C=C/CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C40H68N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-40(43)41-35-34-37-36-42-39-32-30-29-31-38(37)39/h5-6,29-32,36,42H,2-4,7-28,33-35H2,1H3,(H,41,43)/b6-5-
HMDB34873	2-Hydroxy-3-(3-indolyl)propanoic acid; (x)-form, Et ester, O-b-D-glucopyranoside	CCOC(=O)C(CC1=CNC2=CC=CC=C12)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H25NO8/c1-2-26-18(25)13(7-10-8-20-12-6-4-3-5-11(10)12)27-19-17(24)16(23)15(22)14(9-21)28-19/h3-6,8,13-17,19-24H,2,7,9H2,1H3
HMDB34870	Spinacoside C	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C46H70O19/c1-41(2)14-16-46(40(59)65-37-30(52)29(51)28(50)23(19-47)61-37)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)62-38-32(54)33(31(53)34(64-38)35(55)56)63-39(36(57)58)60-20-27(48)49/h8,22-26,28-34,37-39,47,50-54H,9-20H2,1-7H3,(H,48,49)(H,55,56)(H,57,58)
HMDB34871	Spinacoside D	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C40H60O14/c1-35(2)14-16-40(34(49)50)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)52-32-27(44)28(26(43)29(54-32)30(45)46)53-33(31(47)48)51-19-25(41)42/h8,21-24,26-29,32-33,43-44H,9-19H2,1-7H3,(H,41,42)(H,45,46)(H,47,48)(H,49,50)
HMDB34878	3-Mercapto-2-methylpentanol	CCC(S)C(C)CO	InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3
HMDB34879	1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose	NC(CCCCNCC1(O)OC(CO)C(O)C1O)C(O)=O	InChI=1S/C12H24N2O7/c13-7(11(18)19)3-1-2-4-14-6-12(20)10(17)9(16)8(5-15)21-12/h7-10,14-17,20H,1-6,13H2,(H,18,19)
HMDB12119	(Mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C114H190N2O32P2/c1-72(2)35-20-36-73(3)37-21-38-74(4)39-22-40-75(5)41-23-42-76(6)43-24-44-77(7)45-25-46-78(8)47-26-48-79(9)49-27-50-80(10)51-28-52-81(11)53-29-54-82(12)55-30-56-83(13)57-31-58-84(14)59-32-60-85(15)61-33-62-86(16)63-34-64-87(17)65-66-138-149(133,134)148-150(135,136)147-111-96(116-89(19)122)101(127)107(93(70-120)142-111)144-110-95(115-88(18)121)100(126)108(92(69-119)141-110)145-114-106(132)109(146-113-105(131)103(129)98(124)91(68-118)140-113)99(125)94(143-114)71-137-112-104(130)102(128)97(123)90(67-117)139-112/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,87,90-114,117-120,123-132H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-71H2,1-19H3,(H,115,121)(H,116,122)(H,133,134)(H,135,136)/b73-37+,74-39+,75-41+,76-43+,77-45+,78-47+,79-49+,80-51+,81-53+,82-55+,83-57+,84-59+,85-61+,86-63+/t87?,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,104+,105+,106+,107-,108-,109+,110+,111+,112+,113-,114+/m1/s1
HMDB12118	(Mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C108H180N2O27P2/c1-71(2)35-20-36-72(3)37-21-38-73(4)39-22-40-74(5)41-23-42-75(6)43-24-44-76(7)45-25-46-77(8)47-26-48-78(9)49-27-50-79(10)51-28-52-80(11)53-29-54-81(12)55-30-56-82(13)57-31-58-83(14)59-32-60-84(15)61-33-62-85(16)63-34-64-86(17)65-66-128-138(124,125)137-139(126,127)136-106-94(110-88(19)116)98(120)102(92(70-114)132-106)133-105-93(109-87(18)115)97(119)103(91(69-113)131-105)134-108-101(123)104(96(118)90(68-112)130-108)135-107-100(122)99(121)95(117)89(67-111)129-107/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,86,89-108,111-114,117-123H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-70H2,1-19H3,(H,109,115)(H,110,116)(H,124,125)(H,126,127)/b72-37+,73-39+,74-41+,75-43+,76-45+,77-47+,78-49+,79-51+,80-53+,81-55+,82-57+,83-59+,84-61+,85-63+/t86?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102-,103-,104+,105+,106+,107-,108+/m1/s1
HMDB12115	(3S,5S)-3,5-Diaminohexanoate	C[C@H](N)C[C@H](N)CC(O)=O	InChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m0/s1
HMDB12114	(3S)-3,6-Diaminohexanoate	NCCC[C@H](N)CC(O)=O	InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
HMDB12117	(Glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C162H270N2O72P2/c1-80(2)35-20-36-81(3)37-21-38-82(4)39-22-40-83(5)41-23-42-84(6)43-24-44-85(7)45-25-46-86(8)47-26-48-87(9)49-27-50-88(10)51-28-52-89(11)53-29-54-90(12)55-30-56-91(13)57-31-58-92(14)59-32-60-93(15)61-33-62-94(16)63-34-64-95(17)65-66-211-237(205,206)236-238(207,208)235-151-112(164-97(19)177)125(190)140(108(77-175)222-151)225-150-111(163-96(18)176)124(189)141(107(76-174)221-150)226-158-139(204)145(230-161-149(132(197)119(184)103(72-170)219-161)234-162-148(131(196)118(183)104(73-171)220-162)233-157-138(203)143(121(186)106(75-173)216-157)228-156-137(202)142(120(185)105(74-172)215-156)227-153-133(198)126(191)113(178)98(67-165)212-153)123(188)110(224-158)78-209-152-136(201)144(229-160-147(130(195)117(182)102(71-169)218-160)232-155-135(200)128(193)115(180)100(69-167)214-155)122(187)109(223-152)79-210-159-146(129(194)116(181)101(70-168)217-159)231-154-134(199)127(192)114(179)99(68-166)213-154/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,95,98-162,165-175,178-204H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-79H2,1-19H3,(H,163,176)(H,164,177)(H,205,206)(H,207,208)/b81-37+,82-39+,83-41+,84-43+,85-45+,86-47+,87-49+,88-51+,89-53+,90-55+,91-57+,92-59+,93-61+,94-63+/t95?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127+,128+,129+,130+,131+,132+,133-,134+,135+,136+,137-,138+,139+,140-,141-,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153-,154-,155-,156-,157-,158+,159+,160-,161-,162-/m1/s1
HMDB12116	(5Alpha)-campestan-3-one	[H][C@@]12CCC3C4CCC([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21+,23?,24?,25?,26?,27+,28-/m1/s1
HMDB12111	(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol	O[C@@H]([C@H](O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
HMDB12110	5(6)-Epoxy Prostaglandin E1	CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1CC1OC1CCCC(O)=O	InChI=1S/C20H32O6/c1-2-3-4-6-13(21)9-10-14-15(17(23)12-16(14)22)11-19-18(26-19)7-5-8-20(24)25/h9-10,13-16,18-19,21-22H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14-,15-,16-,18?,19?/m0/s1
HMDB12113	(22Alpha)-hydroxy-campest-4-en-3-one	CC(C)[C@H](C)C[C@H](O)[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22?,23?,24?,25?,26+,27+,28-/m1/s1
HMDB12112	(22Alpha)-hydroxy-5alpha-campestan-3-one	[H][C@@]12CCC3C4CCC([C@H](C)[C@@H](O)C[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2	InChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-20,22-26,30H,7-16H2,1-6H3/t18-,19+,20+,22?,23?,24?,25?,26+,27+,28-/m1/s1
HMDB53039	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,40,42-43,45,49,52,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB53038	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,40,42-43,45,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-
HMDB29559	(4-Hydroxybenzoyl)choline	C[N+](C)(C)CCOC(=O)C1=CC=C(O)C=C1	InChI=1S/C12H17NO3/c1-13(2,3)8-9-16-12(15)10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3/p+1
HMDB29558	Choline chloride	[Cl-].C[N+](C)(C)CCO	InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
HMDB29557	Dihydroisophorol	CC1CC(O)CC(C)(C)C1	InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
HMDB29556	Glycerol tribenzoate	O=C(OCC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2
HMDB29555	4,5-Dihydro-2-methylthiazole	CC1=NCCS1	InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
HMDB29554	Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-octadecanoate	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,54H,4-15,17,20,22-24,26,29,31-53H2,1-3H3/b19-16+,21-18+,28-25+,30-27+
HMDB29553	(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene	CC#CC#C\C=C1\OC2(CCCCO2)C=C1	InChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8+
HMDB29552	Ethyl undecanoate	CCCCCCCCCCC(=O)OCC	InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3
HMDB29551	1-Undecene	CCCCCCCCCC=C	InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
HMDB29550	Amitenone	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C(CC2=C(O)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(O)C2=O)=C(O)C1=O	InChI=1S/C53H72O8/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-46(54)50(58)44(51(59)47(42)55)33-45-52(60)48(56)43(49(57)53(45)61)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,54,56,59,61H,11-16,19-20,23-24,27-28,31-33H2,1-10H3/b36-21+,37-22+,38-25+,39-26+,40-29+,41-30+
HMDB44074	TG(16:0/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,50H,4-6,8-9,11-15,17-18,20,22-23,27-49H2,1-3H3/b10-7-,19-16-,24-21-,26-25-
HMDB47245	TG(24:0/18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,40,66H,4-26,28-39,41-65H2,1-3H3/b40-27-
HMDB50539	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17-18,20-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB50538	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35,38,40-41,43,47,50,62H,4-15,17-18,20-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB44077	TG(16:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,31,36,39,52H,4-6,8-9,11-15,17-18,20,22-23,27,29-30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,31-28-,39-36-
HMDB53783	TG(20:3n6/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,47,50,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-
HMDB53782	TG(20:3n6/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-
HMDB53781	TG(20:3n6/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,41,44,58H,4-6,8-9,11-15,18,21-24,30-31,37-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-
HMDB53780	TG(20:3n6/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,58H,4-6,8-9,11-15,18,21-24,30-31,37-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-
HMDB53787	TG(20:3n6/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,36,39,62H,4-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-
HMDB53786	TG(20:3n6/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,43,46,60H,4-15,18,21-24,31-33,36,39-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-
HMDB53785	TG(20:3n6/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,60H,4-15,18,21-24,31-33,36,39-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB53784	TG(20:3n6/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,34,57H,4-15,17-18,20-24,26,29-30,33,35-56H2,1-3H3/b19-16-,28-25-,31-27-,34-32-
HMDB53789	TG(20:3n6/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,39-40,43,49,52,62H,4-15,18,21-24,31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,52-49-
HMDB53788	TG(20:3n6/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,39-40,43,62H,4-15,18,21-24,31,33-34,37-38,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-
HMDB42699	TG(14:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,52H,4-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-
HMDB00927	Valerylglycine	CCCCC(=O)NCC(O)=O	InChI=1S/C7H13NO3/c1-2-3-4-6(9)8-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
HMDB00926	Pyridine	C1=CC=NC=C1	InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
HMDB00925	Trimethylamine N-oxide	C[N+](C)(C)[O-]	InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
HMDB00922	Taurallocholic acid	[H][C@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16-,17-,18-,19?,20?,21-,22+,24?,25+,26-/m1/s1
HMDB00921	Cholestenone	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
HMDB00920	11a-Hydroxyprogesterone	[H][C@@]12CCC(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1
HMDB00929	L-Tryptophan	N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
HMDB52788	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h7,10,14,16-17,19,21,23-26,28,30,33-34,37,43,46,58H,4-6,8-9,11-13,15,18,20,22,27,29,31-32,35-36,38-42,44-45,47-57H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,33-30-,37-34-,46-43-
HMDB52789	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,33-35,37-38,44,47,59H,4-7,9-10,12-15,18,22-23,27,31-32,36,39-43,45-46,48-58H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,47-44-
HMDB52784	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,48,51,61H,4-6,9,12-15,18,22-23,27,31,33,36,38,41,43-47,49-50,52-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,51-48-
HMDB52785	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,36,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,36-33-
HMDB52786	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28-30,32-34,37,43,46,58H,4-6,8-9,11-15,17-18,22,26-27,31,35-36,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,33-30-,37-34-,46-43-
HMDB52787	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-33,36-37,40,42,45,57H,4-6,8-9,11-15,17,22,24,26,30,34-35,38-39,41,43-44,46-56H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-,45-42-
HMDB52780	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,36-37,40,57H,4-6,8,11,13-15,17,22,24,26,30,34-35,38-39,41-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-
HMDB52781	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-35,37-38,59H,4-6,9,12-15,18,22-23,27,31-32,36,39-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-
HMDB52782	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-35,37-38,43,46,59H,4-6,9,12-15,18,22-23,27,31-32,36,39-42,44-45,47-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-
HMDB52783	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,61H,4-6,9,12-15,18,22-23,27,31,33,36,38,41,43-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-
HMDB14419	Cefmetazole	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O	InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
HMDB14412	Cefmenoxime	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1
HMDB14413	Ropinirole	CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1	InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
HMDB14410	Crotamiton	CCN(C(=O)C=CC)C1=CC=CC=C1C	InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+
HMDB14411	Dicumarol	OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2	InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
HMDB14416	Diatrizoate	CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I	InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)
HMDB14417	Betazole	NCCC1=CC=NN1	InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)
HMDB14414	Chlorotrianisene	COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1	InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3
HMDB14415	Isradipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C	InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3
HMDB48475	TG(16:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,31,36,39,52H,4-6,8-9,11-15,17-18,21-22,24,27,29-30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,31-28-,39-36-
HMDB55064	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB55065	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB55066	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,49,51-52,54,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-48,50,53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,54-51-
HMDB55067	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,49-54,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB55060	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,36,38-39,41,47,50,61H,4-15,18,21-24,27,30-31,33,35,37,40,42-46,48-49,51-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,50-47-
HMDB55061	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-37,40-45,49-54,64H,4-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB55062	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-8,10-11,13-15,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB55063	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-8,10-11,13-15,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB55068	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,47-48,50,61H,4-15,18,21-24,27,30-31,33,35,37,40,42-44,46,49,51-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-,50-47-
HMDB55069	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-15,22-24,31-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB48474	TG(16:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,31,52H,4-6,8-9,11-15,17-18,21-22,24,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,31-28-
HMDB48477	TG(16:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,21-22,24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-33-,44-41-
HMDB07711	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,25,27,31,33,41,44H,3-10,12,14-16,20,24,26,28-30,32,34-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1
HMDB07710	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,31,33,41,44H,3-10,12,15,18,20,23-24,26,28-30,32,34-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t41-/m0/s1
HMDB07713	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27-28,30-31,33,41,44H,3-10,15-16,20,24,26,29,32,34-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m0/s1
HMDB07712	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,31,33,41,44H,3-10,15-16,20,24,26,28-30,32,34-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1
HMDB07715	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30-31,33,41,44H,3-5,7,9-10,15-16,20,24,26,29,32,34-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m0/s1
HMDB07714	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27,31,33,41,44H,3-5,7,9-10,15-16,20,24,26,28-30,32,34-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1
HMDB07717	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,33,35,43,46H,3-10,12,14-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1
HMDB07716	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,33,35,43,46H,3-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-42H2,1-2H3/b13-11-,19-17-,24-22-,29-27-,35-33-/t43-/m0/s1
HMDB07719	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,26-29,32-35,43,46H,3-10,12,14-16,21,23,25,30-31,36-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1
HMDB07718	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,33,35,43,46H,3-10,15-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1
HMDB10409	11,12-EpETrE	CCCCC\C=C\CC1OC1C\C=C/C\C=C\CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10-
HMDB10408	LysoPC(P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,20,22,26,28H,5-11,14-19,21,23-25H2,1-4H3/b13-12-,22-20-/t26-/m1/s1
HMDB54337	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,43,46,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB54336	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB54335	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,35,41,44,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,44-41-
HMDB54334	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB04350	Anabasine	C1CCC(NC1)C1=CN=CC=C1	InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
HMDB54332	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,44,47,61H,4-15,18,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB54331	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB54330	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB54339	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB54338	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB05407	TG(18:0/20:1(11Z)/20:1(11Z))[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,58H,4-24,27,30-57H2,1-3H3/b28-25-,29-26-/t58-/m1/s1
HMDB05406	TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31-32,34,40,43,56H,4-15,17-18,20-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB05405	TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,54H,4-15,17-18,20-24,26,29,31-53H2,1-3H3/b19-16-,28-25-,30-27-/t54-/m0/s1
HMDB05404	TG(18:0/18:1(9Z)/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,27-28,31,56H,4-24,26,29-30,32-55H2,1-3H3/b28-25-,31-27-/t56-/m1/s1
HMDB05403	TG(18:0/18:1(9Z)/18:1(9Z))[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25-,30-27-/t54-/m0/s1
HMDB05402	TG(18:0/18:1(9Z)/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h27,31,56H,4-26,28-30,32-55H2,1-3H3/b31-27-/t56-/m1/s1
HMDB05401	TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,58H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,36-33-,45-42-/t58-/m1/s1
HMDB05400	TG(18:0/20:0/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,58H,4-24,26-27,29-57H2,1-3H3/b28-25-/t58-/m1/s1
HMDB53813	TG(20:3n6/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,38,41-42,45,51,54,64H,4-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB53812	TG(20:3n6/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,38,41-42,45,64H,4-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-
HMDB53811	TG(20:3n6/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,38,41,64H,4-15,17,20,22-24,31-37,39-40,42-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB53810	TG(20:3n6/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,45,48,62H,4-16,19,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB53817	TG(20:3n6/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45,48,62H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB53816	TG(20:3n6/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,62H,4-7,9-10,12-16,19,22-24,31-35,38,41-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-
HMDB05409	TG(18:0/18:2(9Z,12Z)/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,27,31,56H,4-17,19-20,22-26,28-30,32-55H2,1-3H3/b21-18-,31-27-/t56-/m1/s1
HMDB05408	TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,58H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-/t58-/m1/s1
HMDB12925	Dehydrospermidine	NCCC\C=N\CCCN	InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+
HMDB50544	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB50545	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB50546	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,43,46,59H,4-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b28-25-,29-26-,37-34-,46-43-
HMDB50547	TG(20:1(11Z)/22:1(13Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-30,62H,4-24,31-61H2,1-3H3/b28-25-,29-26-,30-27-
HMDB50540	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,34,37,43,46,58H,4-8,10-11,13-17,19-20,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,37-34-,46-43-
HMDB50541	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,34,37-38,41,43,46,58H,4-8,10-11,13-17,19-20,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB50542	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,36-37,39,45,48,60H,4-6,8-9,11-15,17-18,20-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-
HMDB50543	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17-18,20-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB50548	TG(20:1(11Z)/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-30,36,39,45,48,62H,4-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,30-27-,39-36-,48-45-
HMDB50549	TG(20:1(11Z)/22:1(13Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-
HMDB03769	Etiocholanedione	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
HMDB03764	Glutamylalanine	CC(NC(=O)C(N)CCC(O)=O)C(O)=O	InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)
HMDB03767	4-Hydroxyphenylacetaldehyde	OC1=CC=C(CC=O)C=C1	InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2
HMDB00156	L-Malic acid	O[C@@H](CC(O)=O)C(O)=O	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
HMDB00157	Hypoxanthine	OC1=NC=NC2=C1NC=N2	InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
HMDB00152	Gentisic acid	OC(=O)C1=CC(O)=CC=C1O	InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
HMDB00153	Estriol	[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
HMDB00150	Gluconolactone	OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
HMDB00151	Estradiol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
HMDB00158	L-Tyrosine	N[C@@H](CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
HMDB00159	L-Phenylalanine	N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
HMDB03498	Beta-D-Glucose 6-phosphate	O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
HMDB01403	Prostaglandin D2	CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
HMDB01401	Glucose 6-phosphate	OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
HMDB55881	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,61H,4-6,9,12-15,18,21-24,27,30-31,33,35,37,40,42-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-
HMDB01406	Niacinamide	NC(=O)C1=CN=CC=C1	InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
HMDB01405	3-Sulfinylpyruvic acid	OC(=O)C(=O)CS([O-])=O	InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)/p-1
HMDB55885	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,66H,4-6,13-15,22-24,31-33,40-42,49-65H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB01409	dUMP	O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O	InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
HMDB55889	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,52,54-55,57,66H,4-6,13-15,22-24,31-33,40-42,49-51,53,56,58-65H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,57-54-
HMDB57017	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB57016	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB57015	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB57014	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB57013	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,36-37,41-42,44,52,56,77-79,84H,5-20,22-24,26-32,34-35,38-40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57012	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,37,42,44,52,56,77-79,84H,5-20,22-24,26-27,29-31,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57011	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,43,50,54,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57010	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,37,42,44,52,56,77-79,84H,5-20,22-24,26-32,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57019	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,26-32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57018	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB03288	Selenocysteine	N[C@@H](C[SeH])C(O)=O	InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
HMDB51189	TG(20:3(5Z,8Z,11Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34-37,42-43,45-46,59H,4-6,8-9,11-14,17,20-23,30-33,38-41,44,47-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-,46-43-
HMDB51188	TG(20:3(5Z,8Z,11Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34-37,43,46,59H,4-6,8-9,11-14,17,20-23,30-33,38-42,44-45,47-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,36-34-,37-35-,46-43-
HMDB51186	TG(20:3(5Z,8Z,11Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,33,35,41,44,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB31549	5-Methyl-2-hexanone	CC(C)CCC(C)=O	InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
HMDB31548	Dichloromethane	ClCCl	InChI=1S/CH2Cl2/c2-1-3/h1H2
HMDB31545	2-Methyl-2-cyclopenten-1-one	CC1=CCCC1=O	InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
HMDB31544	3-Methylcyclopentene	CC1CCC=C1	InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3
HMDB31547	L-Cyclo(alanylglycyl)	CC1NC(=O)CNC1=O	InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)
HMDB31546	3-Methyl-2-cyclopenten-1-one	CC1=CC(=O)CC1	InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
HMDB31541	3-Methyl-2-cyclohexen-1-one	CC1=CC(=O)CCC1	InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
HMDB31540	4-Methylcyclohexanone	CC1CCC(=O)CC1	InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
HMDB31543	3-Methyl-1,2-cyclopentanedione	CC1CCC(=O)C1=O.CC1=C(O)C(=O)CC1	InChI=1S/2C6H8O2/c2*1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3;4H,2-3H2,1H3
HMDB31542	Methylcyclopentane	CC1CCCC1	InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
HMDB35259	28-Hydroxyglycyrrhetic acid	CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(CO)CCC12C)C(O)=O	InChI=1S/C30H46O5/c1-25(2)21-7-10-29(6)23(27(21,4)9-8-22(25)33)20(32)15-18-19-16-26(3,24(34)35)11-13-30(19,17-31)14-12-28(18,29)5/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)
HMDB35258	Azukisapogenol	CC12CCC(C)(CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O	InChI=1S/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)
HMDB35255	3'-Geranyl-2',3,4,4'-tetrahydroxychalcone	CC(C)=CCC\C(C)=C\CC1=C(O)C(=CC=C1O)C(=O)\C=C\C1=CC=C(O)C(O)=C1	InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-10-19-22(27)14-11-20(25(19)30)21(26)12-8-18-9-13-23(28)24(29)15-18/h5,7-9,11-15,27-30H,4,6,10H2,1-3H3/b12-8+,17-7+
HMDB35254	7-Hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone	COC1=C(C)C(=O)C2=C(C=C(O)C=C2C(C)C)C1=O	InChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-7,16H,1-4H3
HMDB35257	3,24-Dihydroxy-11,13(18)-oleanadien-30-oic acid; 3b-form, Me ester	COC(=O)C1(C)CCC2(C)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(CO)C5CCC34C)=C2C1	InChI=1S/C31H48O4/c1-26-14-15-27(2,25(34)35-7)18-21(26)20-8-9-23-28(3)12-11-24(33)29(4,19-32)22(28)10-13-31(23,6)30(20,5)17-16-26/h8-9,22-24,32-33H,10-19H2,1-7H3
HMDB35256	24-Hydroxyglabrolide	CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC34C)C1C2	InChI=1S/C30H44O5/c1-25-14-18-17-13-19(32)23-27(3)9-8-21(33)28(4,16-31)20(27)7-10-30(23,6)29(17,5)12-11-26(18,2)22(15-25)35-24(25)34/h13,18,20-23,31,33H,7-12,14-16H2,1-6H3
HMDB35251	9(11)-Dehydroglycyrrhetic acid	CC1(C)C(O)CCC2(C)C1CCC1(C)C2=CC=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O	InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)
HMDB35250	Myrtenal	CC1(C)C2CC1C(C=O)=CC2	InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3
HMDB35253	Allium schoenoprasum Anthocyanin-flavonol; 3''-Ac	CC(=O)OC1C(O)C(COC(=O)CC(=O)OC2C(OC3=CC4=C(C(O)=C3)C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(O4)C3=CC=C(O)C=C3)OC(C(O)C2O)C(O)=O)OC(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC=C(O)C(O)=C2)C1O	InChI=1S/C59H60O36/c1-18(62)84-50-40(73)34(91-57(47(50)80)88-31-13-24-26(66)9-22(64)10-29(24)86-48(31)20-4-7-25(65)27(67)8-20)17-83-35(69)14-36(70)92-53-45(78)44(77)52(55(81)82)94-58(53)85-23-11-28(68)37-30(12-23)87-49(19-2-5-21(63)6-3-19)51(41(37)74)93-59-54(43(76)39(72)33(16-61)90-59)95-56-46(79)42(75)38(71)32(15-60)89-56/h2-13,32-34,38-40,42-47,50,52-54,56-61,71-73,75-80H,14-17H2,1H3,(H6-,63,64,65,66,67,68,74,81,82)/p+1
HMDB35252	3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid	CC12CCC(C)(CC1C1=CC=C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O	InChI=1S/C30H46O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7-8,20-21,23,31-32H,9-18H2,1-6H3,(H,33,34)
HMDB02172	N1,N12-Diacetylspermine	CC(=O)NCCCNCCCCNCCCNC(C)=O	InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)
HMDB02173	Solerol	OC1CCC(=O)OCC1O	InChI=1S/C6H10O4/c7-4-1-2-6(9)10-3-5(4)8/h4-5,7-8H,1-3H2
HMDB02170	Malonyl-CoA semialdehyde	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC=O	InChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1
HMDB02171	Glycylprolylhydroxyproline	NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)[C@H]1C(O)=O	InChI=1S/C12H19N3O5/c13-6-9(17)14-4-1-2-7(14)11(18)15-5-3-8(16)10(15)12(19)20/h7-8,10,16H,1-6,13H2,(H,19,20)/t7-,8?,10-/m0/s1
HMDB02176	Ethylmethylacetic acid	CCC(C)C(O)=O	InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
HMDB02177	Cis-8,11,14,17-Eicosatetraenoic acid	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(O)=O	InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-
HMDB02174	Cobalamin	[Co+3].CC(CNC(=O)CCC1(C)C(CC(N)=O)C2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)\C(C)(CC(N)=O)C3CCC(N)=O)/C(C)(C)C1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC2=C1C=C(C)C(C)=C2	InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+3/p-2
HMDB02175	Silicon	[Si+4]	InChI=1S/Si/q+4
HMDB02178	3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1
HMDB02179	Peroxynitrite	[O-]ON=O	InChI=1S/HNO3/c2-1-4-3/h3H/p-1
HMDB40884	(-)-1-Cyclohexyl-4-tricosanol	CCCCCCCCCCCCCCCCCCCC(O)CCCC1CCCCC1	InChI=1S/C29H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-29(30)27-22-25-28-23-19-18-20-24-28/h28-30H,2-27H2,1H3
HMDB40885	10-Octacosene-1,12-diol	CCCCCCCCCCCCCCCCC(O)\C=C\CCCCCCCCCO	InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-25-28(30)26-23-20-17-14-12-15-18-21-24-27-29/h23,26,28-30H,2-22,24-25,27H2,1H3/b26-23+
HMDB40886	25-Methyl-10-triacontanone	CCCCCCCCCC(=O)CCCCCCCCCCCCCCC(C)CCCCC	InChI=1S/C31H62O/c1-4-6-8-9-16-20-24-28-31(32)29-25-21-18-15-13-11-10-12-14-17-19-23-27-30(3)26-22-7-5-2/h30H,4-29H2,1-3H3
HMDB40887	20-Tetracosene-1,18-diol	CCC\C=C\CC(O)CCCCCCCCCCCCCCCCCO	InChI=1S/C24H48O2/c1-2-3-4-18-21-24(26)22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20-23-25/h4,18,24-26H,2-3,5-17,19-23H2,1H3/b18-4+
HMDB40880	Phytolaccoside F	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C48H76O19/c1-22-30(52)33(55)35(57)38(63-22)66-37-34(56)32(54)26(19-49)64-40(37)67-36-31(53)25(51)20-62-39(36)65-29-11-12-44(3)27(45(29,4)21-50)10-13-47(6)28(44)9-8-23-24-18-43(2,42(60)61-7)14-16-48(24,41(58)59)17-15-46(23,47)5/h8,22,24-40,49-57H,9-21H2,1-7H3,(H,58,59)
HMDB40881	12-Oleanene-3,16,21,22,28-pentol; (3b,16a,21b,22a)-form, 21-Cinnamoyl, 16,22-di-Ac, 3-O-[b-D-galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;2)-a-L-arabinopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside]	CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC23C)C2CC(C)(C)C(OC(=O)\C=C\C3=CC=CC=C3)C(OC(C)=O)C12CO	InChI=1S/C65H94O27/c1-29(68)84-40-24-64(9)32(33-23-60(3,4)53(54(85-30(2)69)65(33,40)28-67)88-41(72)18-15-31-13-11-10-12-14-31)16-17-38-62(7)21-20-39(61(5,6)37(62)19-22-63(38,64)8)87-59-52(92-57-47(78)45(76)44(75)36(25-66)86-57)49(48(79)50(90-59)55(80)81)89-58-51(43(74)35(71)27-83-58)91-56-46(77)42(73)34(70)26-82-56/h10-16,18,33-40,42-54,56-59,66-67,70-71,73-79H,17,19-28H2,1-9H3,(H,80,81)/b18-15+
HMDB40882	Deltoside	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(COC2OC(CO)C(O)C(O)C2O)CO1	InChI=1S/C51H82O23/c1-20-32-28(74-51(20)12-7-22(19-66-51)18-65-45-39(61)37(59)34(56)29(15-52)69-45)14-27-25-6-5-23-13-24(8-10-49(23,3)26(25)9-11-50(27,32)4)68-48-44(73-46-40(62)36(58)33(55)21(2)67-46)42(64)43(31(17-54)71-48)72-47-41(63)38(60)35(57)30(16-53)70-47/h5,20-22,24-48,52-64H,6-19H2,1-4H3
HMDB40883	(E)-10-Oxo-8-decenoic acid	OC(=O)CCCCCC\C=C\C=O	InChI=1S/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,9H,1-4,6,8H2,(H,12,13)/b7-5+
HMDB40888	2,4-Heptadecanedione	CCCCCCCCCCCCCC(=O)CC(C)=O	InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18/h3-15H2,1-2H3
HMDB40889	(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	OC1=CC=C(\C=C\C=C\C(=O)\C=C/C2=CC=C(O)C=C2)C=C1	InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7-
HMDB57909	CL(18:1(11Z)/18:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,37,41,76-78,83H,5-24,27-28,31-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,41-37-/t76?,77-,78-/m1/s1
HMDB57908	CL(18:1(11Z)/18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37,39-40,42,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57901	CL(18:1(11Z)/18:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32-33,36,73-75,80H,5-25,27,29,31,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-,36-33-/t73?,74-,75-/m1/s1
HMDB57900	CL(18:1(11Z)/18:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34,38,75-77,82H,5-24,26-28,30-33,35-37,39-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,38-34-/t75?,76-,77-/m1/s1
HMDB57903	CL(18:1(11Z)/18:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34,36,38,40,75-77,82H,5-24,26-28,30-33,35,37,39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,38-34-,40-36-/t75?,76-,77-/m1/s1
HMDB57902	CL(18:1(11Z)/18:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,34,38,75-77,82H,5-24,26-27,30-31,33,35-37,39-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,32-28-,38-34-/t75?,76-,77-/m1/s1
HMDB57905	CL(18:1(11Z)/18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37,40,42,46,54,58,77-79,84H,5-20,22-24,27-29,31-32,34,36,38-39,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,40-35-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57904	CL(18:1(11Z)/18:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37,39,41,76-78,83H,5-24,27-28,31-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB57907	CL(18:1(11Z)/18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37,39-40,42,48,52,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,38,41,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,52-48-/t79?,80-,81-/m1/s1
HMDB57906	CL(18:1(11Z)/18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37,39-40,42,48,52,60,64,79-81,86H,5-20,22-24,27-29,31-32,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB01498	Inositol 1,4,5-trisphosphate	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O	InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
HMDB01499	GDP-D-Rhamnose	C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1
HMDB56058	DG(18:0/0:0/20:4n3)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,39,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3/b7-5-,13-11-,19-17-,24-22-
HMDB55839	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,38,41,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-37,39-40,42-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,41-38-
HMDB56054	DG(18:0/0:0/22:4n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,41,44H,3-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3/b13-11-,19-17-,22-21-,28-26-
HMDB56055	DG(18:0/0:0/22:5n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,41,44H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b13-11-,19-17-,22-21-,28-26-,34-32-
HMDB56056	DG(18:0/0:0/18:3n3)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,37,40H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3/b7-5-,13-11-,19-17-
HMDB55838	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,41-42,44-45,50,53,64H,4-6,9,12-15,18,21-24,31-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-
HMDB56050	DG(18:0/0:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,38,41H,3-8,10,12-14,16,18-37H2,1-2H3/b11-9-,17-15-
HMDB56051	DG(18:0/0:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,39,42H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3/b13-11-,19-17-,24-22-
HMDB56052	DG(18:0/0:0/20:4n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,24-22-,30-28-
HMDB56053	DG(18:0/0:0/22:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,41,44H,3-10,12,14-16,18,20-40H2,1-2H3/b13-11-,19-17-
HMDB47355	TG(24:0/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,70H,4-17,19-20,22-25,28,31-69H2,1-3H3/b21-18-,29-26-,30-27-
HMDB47354	TG(24:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,42,45,51,54,68H,4-17,19-20,22-25,28,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b21-18-,29-26-,30-27-,45-42-,54-51-
HMDB47357	TG(24:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,47,50,56,59,70H,4-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,50-47-,59-56-
HMDB47356	TG(24:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,47,50,70H,4-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,50-47-
HMDB47351	TG(24:0/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,40,46,49,66H,4-17,19-20,22-25,28,30-39,41-45,47-48,50-65H2,1-3H3/b21-18-,29-26-,40-27-,49-46-
HMDB47350	TG(24:0/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C70H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,41,67H,4-20,22-23,25,27-28,31-40,42-66H2,1-3H3/b24-21-,29-26-,41-30-
HMDB01492	Gamma-Tocopherol	CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=CC(O)=C(C)C(C)=C2O1	InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
HMDB30921	(R)-14-Methyloxacyclotetradecan-2-one	CC1CCCCCCCCCCCC(=O)O1	InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h13H,2-12H2,1H3
HMDB32738	C.I. Food Red 6	CC1=CC(C)=C(C)C=C1\N=N\C1=C(O)C(=CC2=CC(=CC=C12)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C19H18N2O7S2/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28)/b21-20+
HMDB40260	5,5-Dimethyl-2(5H)-furanone	CC1(C)OC(=O)C=C1	InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3
HMDB40261	Glucosereductone	OC(C=O)C=O	InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H
HMDB40262	2,4,6-Triethyl-1,3,5-trithiane	CCC1SC(CC)SC(CC)S1	InChI=1S/C9H18S3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3
HMDB40263	(Methylthio)acetic acid; Et ester	CCOC(=O)CSC	InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
HMDB40264	(Z)-2-Hexenal	CCC\C=C/C=O	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-
HMDB40265	3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one, 9CI; Na salt	[Na+].CC(=O)C1=C([O-])OC(C)=CC1=O	InChI=1S/C8H8O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3,11H,1-2H3;/q;+1/p-1
HMDB40266	1-Nonanol, 9CI; Ac	CCCCCCCCCOC(C)=O	InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
HMDB40267	1,1-Dimethoxyoctane	CCCCCCCC(OC)OC	InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3
HMDB40268	3-Oxo-3-phenylpropanoic acid; Et ester	CCOC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
HMDB40269	Choline; Bitartrate	C[N+](C)(C)CCO.OC(C(O)C([O-])=O)C(O)=O	InChI=1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1
HMDB30925	Melissic acid A	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)
HMDB33943	Withaperuvin G	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC44CC5OC5C(=O)C4(C)C3CCC12C	InChI=1S/C28H38O8/c1-13-10-18(35-22(30)14(13)2)25(5,31)28(33)9-8-26(32)16-11-19-27(36-19)12-17-20(34-17)21(29)24(27,4)15(16)6-7-23(26,28)3/h15-20,31-33H,6-12H2,1-5H3
HMDB33942	Dambonitol	CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OC)[C@H]1O	InChI=1S/C8H16O6/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h3-12H,1-2H3/t3-,4-,5+,6+,7+,8-
HMDB33941	Falcarindiol	CCCCCCC\C=C/C(O)C#CC#CC(O)C=C	InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-
HMDB33940	Vignafuran	COC1=CC=C2C=C(OC2=C1)C1=CC=C(O)C=C1OC	InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3
HMDB33947	2-Aminobenzamide	NC(=O)C1=CC=CC=C1N	InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
HMDB30926	Avocadienofuran	C=CCCCCCCCCC\C=C/C1=CC=CO1	InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,12-16H,1,3-11H2/b14-12-
HMDB33945	2-Phenylethyl acetate	CC(=O)OCCC1=CC=CC=C1	InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
HMDB33944	2-Phenylethanol	OCCC1=CC=CC=C1	InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
HMDB33949	beta-Sitosterol 3-O-beta-D-galactopyranoside	CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C	InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3
HMDB33948	Codeine N-oxide	COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5(C)=O	InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3
HMDB57224	CL(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB57225	CL(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB00413	3-Hydroxydodecanedioic acid	OC(CCCCCCCCC(O)=O)CC(O)=O	InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17)
HMDB08149	PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27,31,33,44H,6-7,9,11-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB08148	PC(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27,44H,6-7,9,11-13,18-19,23,26,28-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1
HMDB51439	TG(22:1(13Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,37,40,59H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-37-
HMDB14934	Candesartan	CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1	InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
HMDB08145	PC(18:2(9Z,12Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24,44H,6-13,18-19,23,25-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-/t44-/m1/s1
HMDB08144	PC(18:2(9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,44H,6-14,16,18-19,23,25-43H2,1-5H3/b17-15-,22-20-,24-21-/t44-/m1/s1
HMDB08147	PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27,31,33,44H,6-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB08146	PC(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27,44H,6-13,18-19,23,26,28-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1
HMDB08141	PC(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,42H,6-8,10,12-13,18-19,24-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
HMDB08140	PC(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,42H,6-13,18-19,24-26,28,30-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
HMDB08143	PC(18:2(9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,44H,6-14,16,18-20,22-23,25-43H2,1-5H3/b17-15-,24-21-/t44-/m1/s1
HMDB08142	PC(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,27,29,42H,6-8,10,12-13,18-19,24-26,28,30-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
HMDB45546	TG(20:0/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,39,58H,4-15,17-18,20-24,26,28-29,31,33-36,38,40-57H2,1-3H3/b19-16-,27-25-,32-30-,39-37-
HMDB00410	3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid	C[C@@H](O)[C@@H](C)C(O)=O	InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m1/s1
HMDB55509	TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-38,41-42,45,58H,4-6,13-15,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB45547	TG(20:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,39,45,48,58H,4-15,17-18,20-24,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,27-25-,32-30-,39-37-,48-45-
HMDB55507	TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-32,35-37,39-40,56H,4-6,13-15,22-24,29,33-34,38,41-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-
HMDB00417	3D,7D,11D-Phytanic acid	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(O)=O	InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19-/m1/s1
HMDB55505	TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H90O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,38-41,43,45,48,58H,4-6,13-15,22-24,29,34-35,37,42,44,46-47,49-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-,48-45-
HMDB55504	TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,38-41,43,58H,4-6,13-15,22-24,29,34-35,37,42,44-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-
HMDB55503	TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H88O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,36,38-41,43,56H,4-6,13-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB45544	TG(20:0/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,34,39,42,56H,4-15,17-18,20-24,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,27-25-,34-31-,42-39-
HMDB55501	TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,54H,4-6,13-15,22-24,31-33,40-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB00416	17-Hydroxypregnenolone sulfate	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O	InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15?,16-,17+,18+,19+,20+,21+/m1/s1
HMDB45545	TG(20:0/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,58H,4-15,17-18,20-24,26,28-57H2,1-3H3/b19-16-,27-25-
HMDB14933	Sulfasalazine	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1	InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
HMDB45542	TG(20:0/16:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,55H,4-13,15-16,18-22,24-25,27-54H2,1-3H3/b17-14-,26-23-
HMDB14932	Primidone	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1	InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
HMDB45543	TG(20:0/16:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,34,56H,4-15,17-18,20-24,26,28-30,32-33,35-55H2,1-3H3/b19-16-,27-25-,34-31-
HMDB45540	TG(20:0/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,28,30,55H,4-19,21-22,24-27,29,31-54H2,1-3H3/b23-20-,30-28-
HMDB45541	TG(20:0/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,54H,4-16,18-19,21-25,27-28,30-33,35-36,38-53H2,1-3H3/b20-17-,29-26-,37-34-
HMDB51455	TG(22:1(13Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,41,44,58H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,44-41-
HMDB51454	TG(22:1(13Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,58H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-
HMDB51457	TG(22:1(13Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-38-,49-46-
HMDB51456	TG(22:1(13Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,40,60H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-38-
HMDB51451	TG(22:1(13Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,38,40,46,49,60H,4-15,17-18,20-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-38-,49-46-
HMDB51450	TG(22:1(13Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,38,40,60H,4-15,17-18,20-24,29-30,32,34-37,39,41-59H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-38-
HMDB51453	TG(22:1(13Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,36,39,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,39-36-
HMDB51452	TG(22:1(13Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-
HMDB02399	Cystathionine sulfoxide	N[C@@H](CCS(=O)C[C@H](N)C(O)=O)C(O)=O	InChI=1S/C7H14N2O5S/c8-4(6(10)11)1-2-15(14)3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-,15?/m0/s1
HMDB49670	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB49671	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33,35,41,44,50,53,62H,4-7,9-10,12-15,18,22-23,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB49672	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,50,53,62H,4-7,9-10,12-15,18,22-23,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-
HMDB51458	TG(22:1(13Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB42132	TG(14:0/16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h24-25,50H,4-23,26-49H2,1-3H3/b25-24-
HMDB42133	TG(14:0/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h24-25,27,29,34,37,50H,4-23,26,28,30-33,35-36,38-49H2,1-3H3/b25-24-,29-27-,37-34-
HMDB42130	TG(14:0/16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-
HMDB42131	TG(14:0/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h24-25,48H,4-23,26-47H2,1-3H3/b25-24-
HMDB42136	TG(14:0/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h19,22,25-26,49H,4-18,20-21,23-24,27-48H2,1-3H3/b22-19-,26-25-
HMDB42137	TG(14:0/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,24-25,29,32,48H,4-15,17-18,20-23,26-28,30-31,33-47H2,1-3H3/b19-16-,25-24-,32-29-
HMDB36238	Methyl 4-methylpentanoate	COC(=O)CCC(C)C	InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
HMDB36239	Enol-3,5,5-Trimethyl-1,2-cyclohexanedione	CC1=C(O)C(=O)CC(C)(C)C1	InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3
HMDB36236	2-Methylallyl butyrate	CCCC(=O)OCC(C)=C	InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h2,4-6H2,1,3H3
HMDB36237	2-Methylpentanoic acid, 9CI; ()-form, Me ester	CCCC(C)C(=O)OC	InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3
HMDB36234	3-Methylbutyl 2-methylpropanoate	CC(C)CCOC(=O)C(C)C	InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
HMDB36235	alpha,alpha-Dimethylphenethyl formate	CC(C)(CC1=CC=CC=C1)OC=O	InChI=1S/C11H14O2/c1-11(2,13-9-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
HMDB36232	Maleic acid homopolymer	C\C(=C(/C)C(O)=O)C(O)=O	InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3-
HMDB36233	Butyl ethyl malonate	CCCCOC(=O)CC(=O)OCC	InChI=1S/C9H16O4/c1-3-5-6-13-9(11)7-8(10)12-4-2/h3-7H2,1-2H3
HMDB36230	1-Methyl-2-oxopropyl butyrate	CCCC(=O)OC(C)C(C)=O	InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
HMDB36231	2-Hydroxy-4-methylpentanoic acid, 9CI; ()-form, Me ester	COC(=O)C(O)CC(C)C	InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3
HMDB50535	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,36-37,39,45,48,60H,4-15,17-18,20-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-
HMDB49676	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,48,51,60H,4-6,9,12-15,18,22-23,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-
HMDB49677	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,9,12-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB44992	TG(18:0/20:3(5Z,8Z,11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,32,35,41,44,56H,4-24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,35-32-,44-41-
HMDB44993	TG(18:0/20:3(5Z,8Z,11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,34,37,43,46,58H,4-25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b29-26-,37-34-,46-43-
HMDB44990	TG(18:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,41-38-,50-47-
HMDB44991	TG(18:0/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,57H,4-24,26-27,29-56H2,1-3H3/b28-25-
HMDB44996	TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,52H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b18-15-,26-24-,31-29-,40-37-
HMDB44997	TG(18:0/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,39,42,54H,4-20,22-23,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b24-21-,27-25-,33-30-,42-39-
HMDB44994	TG(18:0/20:3(5Z,8Z,11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26,29,36,39,45,48,60H,4-25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b29-26-,39-36-,48-45-
HMDB44995	TG(18:0/20:3(5Z,8Z,11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h26,29,38,41,47,50,62H,4-25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b29-26-,41-38-,50-47-
HMDB44998	TG(18:0/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,28,32,35,41,44,56H,4-19,21-22,24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,28-25-,35-32-,44-41-
HMDB44999	TG(18:0/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-26,28,30,32,35,41,44,56H,4-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,30-26-,35-32-,44-41-
HMDB50534	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,35,38,44,47,59H,4-14,16-17,19-23,30-34,36-37,39-43,45-46,48-58H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,38-35-,47-44-
HMDB45645	TG(20:0/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,42,45,62H,4-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b21-18-,36-27-,45-42-
HMDB45644	TG(20:0/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h21,24,30,37,63H,4-20,22-23,25-29,31-36,38-62H2,1-3H3/b24-21-,37-30-
HMDB45647	TG(20:0/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,38,41,64H,4-16,18-19,21-25,27-28,30-37,39-40,42-63H2,1-3H3/b20-17-,29-26-,41-38-
HMDB45646	TG(20:0/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,63H,4-14,16-17,19-23,25-26,28-62H2,1-3H3/b18-15-,27-24-
HMDB45641	TG(20:0/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26,29,38,41,47,50,64H,4-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,41-38-,50-47-
HMDB45640	TG(20:0/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-
HMDB45643	TG(20:0/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,68H,4-24,26-27,29-67H2,1-3H3/b28-25-
HMDB45642	TG(20:0/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,66H,4-25,27-28,30-65H2,1-3H3/b29-26-
HMDB52494	TG(18:2(9Z,12Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,35-36,61H,4-8,10-11,13-17,19,22,24-26,28,30-34,37-60H2,1-3H3/b12-9-,21-18-,23-20-,35-27-,36-29-
HMDB45649	TG(20:0/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,66H,4-16,18-19,21-25,27-28,30-65H2,1-3H3/b20-17-,29-26-
HMDB45648	TG(20:0/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,38,41,47,50,64H,4-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,41-38-,50-47-
HMDB52495	TG(18:2(9Z,12Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,35-36,41,44,61H,4-8,10-11,13-17,19,22,24-26,28,30-34,37-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,23-20-,35-27-,36-29-,44-41-
HMDB29027	Prolyl-Threonine	CC(O)C(N)C(=O)N1CCCC1C(O)=O	InChI=1S/C9H16N2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12H,2-4,10H2,1H3,(H,14,15)
HMDB29026	Prolyl-Serine	NC(CO)C(=O)N1CCCC1C(O)=O	InChI=1S/C8H14N2O4/c9-5(4-11)7(12)10-3-1-2-6(10)8(13)14/h5-6,11H,1-4,9H2,(H,13,14)
HMDB13521	PGP(18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O	InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,39-40,43H,3-12,14,16-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13-,20-18-/t39-,40+/m0/s1
HMDB13520	PGP(18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39-40,43H,3-12,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13-,16-14-/t39-,40+/m0/s1
HMDB29023	Prolyl-Methionine	CSCCC(N)C(=O)N1CCCC1C(O)=O	InChI=1S/C10H18N2O3S/c1-16-6-4-7(11)9(13)12-5-2-3-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
HMDB13526	PGP(18:1(11Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41-42,45H,3-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,16-14-,19-17-,24-22-/t41-,42+/m0/s1
HMDB13525	PGP(18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O	InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,41-42,45H,3-13,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1
HMDB13524	PGP(18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,39-40,43H,3-5,7,9-11,16-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-6-,14-12-,15-13-,20-18-/t39-,40+/m0/s1
HMDB46590	TG(22:0/22:1(13Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,68H,4-24,26,29,31-67H2,1-3H3/b28-25-,30-27-
HMDB46591	TG(22:0/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,37,63H,4-20,22-23,25,27-28,31-36,38-62H2,1-3H3/b24-21-,29-26-,37-30-
HMDB13529	PGP(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,43-44,47H,3-10,12,15,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1
HMDB13528	PGP(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,43-44,47H,3-10,12,15,18,20,23-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,16-14-,19-17-,22-21-,28-26-/t43-,44+/m0/s1
HMDB46594	TG(22:0/22:1(13Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,64H,4-17,19-20,22-25,28,31-37,39-40,42-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-
HMDB46595	TG(22:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,47,50,64H,4-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,50-47-
HMDB29029	Prolyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=O	InChI=1S/C14H18N2O4/c15-11(8-9-3-5-10(17)6-4-9)13(18)16-7-1-2-12(16)14(19)20/h3-6,11-12,17H,1-2,7-8,15H2,(H,19,20)
HMDB29028	Prolyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)N1CCCC1C(O)=O	InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)
HMDB30999	2-Decenal	CCCCCCC\C=C\C=O	InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+
HMDB30998	Ethyl decanoate	CCCCCCCCCC(=O)OCC	InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
HMDB30991	5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid	C\C=C\CCC1CC(C(O)=O)C(=O)O1	InChI=1S/C10H14O4/c1-2-3-4-5-7-6-8(9(11)12)10(13)14-7/h2-3,7-8H,4-6H2,1H3,(H,11,12)/b3-2+
HMDB30990	alpha-Carboxy-delta-nonalactone	CCCCC1CCC(C(O)=O)C(=O)O1	InChI=1S/C10H16O4/c1-2-3-4-7-5-6-8(9(11)12)10(13)14-7/h7-8H,2-6H2,1H3,(H,11,12)
HMDB30993	5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid	CCCCCCCCCC1CC(C(O)=O)C(=O)O1	InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-11-10-12(13(15)16)14(17)18-11/h11-12H,2-10H2,1H3,(H,15,16)
HMDB30992	5-Butyltetrahydro-2-oxo-3-furancarboxylic acid	CCCCC1CC(C(O)=O)C(=O)O1	InChI=1S/C9H14O4/c1-2-3-4-6-5-7(8(10)11)9(12)13-6/h6-7H,2-5H2,1H3,(H,10,11)
HMDB30995	(2'E,4'Z,8E)-Colneleic acid	CCCCC\C=C/C=C/O\C=C\CCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+
HMDB30994	5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid	CCCCCCCC1CC(C(O)=O)C(=O)O1	InChI=1S/C12H20O4/c1-2-3-4-5-6-7-9-8-10(11(13)14)12(15)16-9/h9-10H,2-8H2,1H3,(H,13,14)
HMDB30997	Cyclohexaneundecanoic acid	OC(=O)CCCCCCCCCCC1CCCCC1	InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
HMDB30996	(2'E,4'Z,7'Z,8E)-Colnelenic acid	CC\C=C/C\C=C/C=C/O\C=C\CCCCCCC(O)=O	InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+
HMDB36900	Gibberellin A66	CC1(CCCC2(C3CCC4CC3(C(O)C4=C)C(C12)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C20H26O7/c1-9-10-4-5-11-19(17(26)27)7-3-6-18(2,16(24)25)13(19)12(15(22)23)20(11,8-10)14(9)21/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)
HMDB36901	Gibberellin A44	CC12CCCC3(COC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)
HMDB36902	Gibberellin A38	CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)COC2=O	InChI=1S/C20H26O6/c1-10-7-19-8-20(10,25)6-3-11(19)18-5-4-12(21)17(2,16(24)26-9-18)14(18)13(19)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)
HMDB36903	Gibberellin A38 glucosyl ester	CC12C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)COC2=O	InChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3
HMDB36904	Cymbopogonol	CC(C)C1CCC2(C)CCC3(C)C4CCC5(C)C(CCC(O)C5=C)C4(C)CCC3(C)C12	InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19,21-25,31H,3,9-18H2,1-2,4-8H3
HMDB36905	2-Propenyl phenylacetate	C=CCOC(=O)CC1=CC=CC=C1	InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
HMDB36906	Butyl 2-aminobenzoate	CCCCOC(=O)C1=CC=CC=C1N	InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
HMDB36907	2-Propenyl 2-furancarboxylate	C=CCOC(=O)C1=CC=CO1	InChI=1S/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2
HMDB36908	Sesquicineol	CC(C)=CCCC1(C)OC2(C)CCC1CC2	InChI=1S/C15H26O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6,13H,5,7-11H2,1-4H3
HMDB36909	alpha-Zeacarotene	CC(C)=CCC\C(C)=C/CC\C(C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1C(C)=CCCC1(C)C	InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19-,34-20+,35-24-,36-25+,37-27-
HMDB43779	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,35,41,44,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-32-,44-41-
HMDB43778	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,39,42,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-,42-39-
HMDB43773	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,41,44,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-32-,44-41-
HMDB43772	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,31,34,40,43,52H,4-6,8-9,11-15,17-18,20-24,27,30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-31-,43-40-
HMDB43771	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-
HMDB43770	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-
HMDB43777	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,40,43,49,52,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-39,41-42,44-48,50-51,53-60H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,43-40-,52-49-
HMDB43776	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,38,41,47,50,59H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,41-38-,50-47-
HMDB43775	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,45,48,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-,48-45-
HMDB43774	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,43,46,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-,46-43-
HMDB47649	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-7,10,13-16,19,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB47648	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,38,40-41,43,49,52,64H,4-7,10,13-16,19,22-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB47643	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,42,45,51,54,66H,4-8,10-11,13-16,19,22-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,45-42-,54-51-
HMDB47642	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-8,10-11,13-16,19,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB47641	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,40-41,43,49,52,64H,4-8,10-11,13-16,19,22-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB47640	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,39,42,48,51,63H,4-7,9-10,12-14,16,19,21-23,25,28,30-38,40-41,43-47,49-50,52-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,42-39-,51-48-
HMDB47647	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36,38,41-42,45,47,50,62H,4-7,10,13-16,19,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB47646	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36,38,41,47,50,62H,4-7,10,13-16,19,22-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,50-47-
HMDB47645	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB47644	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB28811	Glutaminyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)
HMDB28810	Glutaminyl-Valine	CC(C)C(N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)
HMDB28813	Glutamyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C11H21N5O5/c12-6(2-1-5-15-11(13)14)9(19)16-7(10(20)21)3-4-8(17)18/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15)/p-1
HMDB28812	Glutamyl-Alanine	CC(N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1
HMDB28815	Glutamyl-Aspartate	NC(CC(O)=O)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C9H14N2O7/c10-4(3-7(14)15)8(16)11-5(9(17)18)1-2-6(12)13/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/p-1
HMDB28814	Glutamyl-Asparagine	NC(CC(N)=O)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C9H15N3O6/c10-4(3-6(11)13)8(16)12-5(9(17)18)1-2-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/p-1
HMDB28817	Glutamyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/p-1
HMDB28816	Glutamyl-Cysteine	NC(CS)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C8H14N2O5S/c9-4(3-16)7(13)10-5(8(14)15)1-2-6(11)12/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/p-1
HMDB28819	Glutamyl-Glycine	NCC(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/p-1
HMDB28818	Glutamyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-2
HMDB34216	Adouetine X	CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C(C)C	InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-
HMDB34217	Harmol	CC1=NC=CC2=C1NC1=C2C=CC(O)=C1	InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3
HMDB34214	5-Deoxykievitone	CC(C)=CCC1=C2OCC(C(=O)C2=CC=C1O)C1=C(O)C=C(O)C=C1	InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-9,16,21-23H,5,10H2,1-2H3
HMDB34215	Solacaproine	CCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C	InChI=1S/C18H39N3O/c1-6-7-8-13-18(22)21(16-11-9-14-19(2)3)17-12-10-15-20(4)5/h6-17H2,1-5H3
HMDB34212	(R)-Kawain	COC1=CC(=O)OC(C1)\C=C/C1=CC=CC=C1	InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7-
HMDB34213	Kievitone	CC(C)=CCC1=C2OCC(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1	InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
HMDB34210	3-Nonyl-1H-pyrazole	CCCCCCCCCC1=NNC=C1	InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)
HMDB34211	Agavoside B	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h17-26,28-36,40-41,43-47H,5-16H2,1-4H3
HMDB44202	TG(16:0/22:1(13Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,58H,4-24,29-57H2,1-3H3/b27-25-,28-26-
HMDB44203	TG(16:0/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,33,36,42,45,58H,4-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b27-25-,28-26-,36-33-,45-42-
HMDB44200	TG(16:0/22:1(13Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,56H,4-19,21-22,24,26,28-55H2,1-3H3/b23-20-,27-25-
HMDB44201	TG(16:0/22:1(13Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h25-27,31,56H,4-24,28-30,32-55H2,1-3H3/b27-25-,31-26-
HMDB44206	TG(16:0/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,32,57H,4-19,21-22,24,26,29-31,33-56H2,1-3H3/b23-20-,27-25-,32-28-
HMDB44207	TG(16:0/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,37,40,56H,4-16,18-19,21-24,28-30,32-36,38-39,41-55H2,1-3H3/b20-17-,27-25-,31-26-,40-37-
HMDB34218	Chrysoobtusin	COC1=CC2=C(C(=O)C3=C(OC)C(O)=C(C)C=C3C2=O)C(OC)=C1OC	InChI=1S/C19H18O7/c1-8-6-9-12(18(25-4)14(8)20)16(22)13-10(15(9)21)7-11(23-2)17(24-3)19(13)26-5/h6-7,20H,1-5H3
HMDB34219	D-Pinitol	CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1
HMDB38506	7,8-Dehydro-beta-micropteroxanthin	C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C	InChI=1S/C27H38O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,25,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,21-11+,22-12+,23-14+
HMDB38507	Rheidin A	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2C1C2=CC=CC(O)=C2C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C30H20O9/c1-11-5-15-23(17-9-13(31)10-21(35)27(17)29(37)25(15)19(33)6-11)22-14-3-2-4-18(32)24(14)28(36)26-16(22)7-12(30(38)39)8-20(26)34/h2-10,22-23,31-35H,1H3,(H,38,39)
HMDB38504	alpha-Micropteroxanthin B	C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CC(O)CC1(C)C	InChI=1S/C27H40O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,16-17,19,25-26,28-29H,10,15,18,20H2,1-6H3/b8-7+,13-9+,17-16+,21-11+,22-12+,23-14+
HMDB38505	beta-Micropteroxanthin	C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C27H40O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,16-17,25,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,17-16+,21-11+,22-12+,23-14+
HMDB38502	Bisacurone B	CC(CC(=O)C=C(C)C)C1CC(O)C(C)(O)C=C1	InChI=1S/C15H24O3/c1-10(2)7-13(16)8-11(3)12-5-6-15(4,18)14(17)9-12/h5-7,11-12,14,17-18H,8-9H2,1-4H3
HMDB38503	Bisacurone epoxide	CC(CC(=O)C=C(C)C)C1CC(O)C(C)(O)C2OC12	InChI=1S/C15H24O4/c1-8(2)5-10(16)6-9(3)11-7-12(17)15(4,18)14-13(11)19-14/h5,9,11-14,17-18H,6-7H2,1-4H3
HMDB38500	Polyporusterone D	CC(C)C(C)CC(O)C(=C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H44O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15-16,18-19,21-22,24-25,29,31-33H,4,7-11,13-14H2,1-3,5-6H3
HMDB38501	Polyporusterone G	CC(C)C(=C)CC(O)C(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H44O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15,17-19,21-22,24-25,29,31-33H,3,7-11,13-14H2,1-2,4-6H3
HMDB42697	TG(14:0/22:4(7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,39,42,60H,4-16,18-19,21-24,26,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b20-17-,27-25-,35-32-,42-39-
HMDB42696	TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,31,33,37,40,58H,4-16,18-19,21-24,26,28-30,32,34-36,38-39,41-57H2,1-3H3/b20-17-,27-25-,33-31-,40-37-
HMDB42695	TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,35,38,56H,4-15,17-18,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,26-24-,31-29-,38-35-
HMDB42694	TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-
HMDB42693	TG(14:0/22:4(7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,52H,4-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31-
HMDB42692	TG(14:0/22:4(7Z,10Z,13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,51H,4-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-
HMDB38508	Rheidin C	COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1O)C2C1C2=CC=CC(O)=C2C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C31H22O9/c1-12-6-16-24(18-10-14(40-2)11-22(35)28(18)30(37)26(16)20(33)7-12)23-15-4-3-5-19(32)25(15)29(36)27-17(23)8-13(31(38)39)9-21(27)34/h3-11,23-24,32-35H,1-2H3,(H,38,39)
HMDB38509	Rheidin B	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=CC=CC(O)=C2C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C30H20O8/c1-12-8-16-22(14-4-2-6-18(31)24(14)28(35)26(16)20(33)9-12)23-15-5-3-7-19(32)25(15)29(36)27-17(23)10-13(30(37)38)11-21(27)34/h2-11,22-23,31-34H,1H3,(H,37,38)
HMDB15149	Balsalazide	OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O	InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-19+
HMDB15148	Clobetasol	[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
HMDB15143	Busulfan	CS(=O)(=O)OCCCCOS(C)(=O)=O	InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
HMDB15142	Tioconazole	ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1	InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
HMDB15141	Letrozole	N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N	InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
HMDB15140	Hydroxyurea	NC(=O)NO	InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
HMDB15147	Cinacalcet	C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12	InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
HMDB15146	Metyrapone	CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1	InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
HMDB15145	Edrophonium	CC[N+](C)(C)C1=CC(O)=CC=C1	InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
HMDB15144	Ketoprofen	CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
HMDB42965	TG(15:0/14:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB42964	TG(15:0/14:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB42967	TG(15:0/14:0/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-30-25-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,22,45H,4-18,20-21,23-44H2,1-3H3/b22-19-
HMDB42966	TG(15:0/14:0/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,43H,4-13,15-16,18-42H2,1-3H3/b17-14-
HMDB42961	TG(15:0/14:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-30-25-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3
HMDB42960	TG(15:0/14:0/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-44(53-47(50)41-38-35-32-29-24-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3
HMDB14898	Meropenem	[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H]	InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
HMDB42962	TG(15:0/14:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3
HMDB59086	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,41,44,46,48-50,52,54,57,60-62,64,66,83-85,90H,5-20,24,29-31,36,40,42-43,45,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB14897	Tetracycline	[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O	InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
HMDB14894	Hexachlorophene	OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl	InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
HMDB14895	Dolasetron	[H][C@]12CC(CC3CC(C1)C(=O)CN23)OC(=O)C1=CNC2=CC=CC=C12	InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13?,14?/m1/s1
HMDB14892	Ethotoin	CCN1C(=O)NC(C1=O)C1=CC=CC=C1	InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)
HMDB42968	TG(15:0/14:0/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-
HMDB14890	Tranylcypromine	N[C@@H]1CC1C1=CC=CC=C1	InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/m1/s1
HMDB14891	Isoflurane	FC(F)OC(Cl)C(F)(F)F	InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
HMDB37749	4',7-Dihydroxy-2',5-dimethoxyisoflavanone	COC1=CC(O)=CC2=C1C(=O)C(CO2)C1=C(OC)C=C(O)C=C1	InChI=1S/C17H16O6/c1-21-13-5-9(18)3-4-11(13)12-8-23-15-7-10(19)6-14(22-2)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
HMDB37748	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-a-L-Rhamnopyranoside, 6''-O-a-L-rhamnopyranosyl	COC1=C(OC2OC(C)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-14(36)7-13(35)8-17(19)51-30(31)12-4-5-15(16(6-12)47-3)52-33-28(45)25(42)21(38)11(2)50-33/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3
HMDB37741	Bismurrayafoline E	COC1=CC=C2C(NC3=C2C=C(C)C(O)=C3C2=C(O)C(C)=CC3=C2NC2=C3C=CC(OC)=C2C\C=C(/C)CCC=C(C)C)=C1C\C=C(/C)CCC=C(C)C	InChI=1S/C48H56N2O4/c1-27(2)13-11-15-29(5)17-19-35-39(53-9)23-21-33-37-25-31(7)47(51)41(45(37)49-43(33)35)42-46-38(26-32(8)48(42)52)34-22-24-40(54-10)36(44(34)50-46)20-18-30(6)16-12-14-28(3)4/h13-14,17-18,21-26,49-52H,11-12,15-16,19-20H2,1-10H3/b29-17+,30-18+
HMDB37740	1,2-Dimethyl-4-(6-methyl-4-heptenyl)-1,3-cyclohexadiene	CC(C)\C=C\CCCC1=CC(C)=C(C)CC1	InChI=1S/C16H26/c1-13(2)8-6-5-7-9-16-11-10-14(3)15(4)12-16/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6+
HMDB37743	Pasternoside	COC1=CC(=CC=C1OC1OC(C)C(O)C(O)C1O)C1=C(OC2OC(C(O)CO)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O16/c1-9-18(33)20(35)22(37)27(40-9)42-14-4-3-10(5-15(14)39-2)24-26(19(34)17-12(31)6-11(30)7-16(17)41-24)44-28-23(38)21(36)25(43-28)13(32)8-29/h3-7,9,13,18,20-23,25,27-33,35-38H,8H2,1-2H3
HMDB37742	xi-5-Dodecanolide	CCCCCCCC1CCCC(=O)O1	InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
HMDB37745	Calendoflavoside	COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3
HMDB37744	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-b-L-Rhamnofuranosyl	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C(C)O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O16/c1-9(29)24-21(36)23(38)27(43-24)40-8-16-18(33)20(35)22(37)28(42-16)44-26-19(34)17-13(32)6-11(30)7-15(17)41-25(26)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18,20-24,27-33,35-38H,8H2,1-2H3
HMDB37747	Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-Rhamnopyranoside	COC1=CC(=CC=C1O)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1	InChI=1S/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)40-11-6-13(29)17-16(7-11)41-24(10-3-4-12(28)15(5-10)37-2)25(20(17)33)42-26-22(35)19(32)14(30)8-38-26/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3
HMDB37746	Keioside	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3
HMDB29856	p-Menth-1-en-8-ol; (R)-form, O-b-D-Glucopyranoside	CC1=CCC(CC1)C(C)(C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O6/c1-9-4-6-10(7-5-9)16(2,3)22-15-14(20)13(19)12(18)11(8-17)21-15/h4,10-15,17-20H,5-8H2,1-3H3
HMDB29857	Cryptochrome	C\C(\C=C\C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1)=C/C=C\C=C(/C)\C=C/C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11-,18-13+,19-14-,28-16+,29-17+,30-20-,31-21-
HMDB29854	1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene	CC(C)CCC\C(C)=C\CC\C(C)=C\C=C/C(/C)=C\C=C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C	InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,19-20,22,24-26,29,32,39H,13,15-18,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+
HMDB29855	Cochineal Red A	OC1=CC=C2C=C(C=C(C2=C1\N=N\C1=C2C=CC=CC2=C(C=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C20H14N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b22-21+
HMDB29852	Methylgingerol	CCCCCC(O)CC(=O)CCC1=CC=C(OC)C(OC)=C1	InChI=1S/C18H28O4/c1-4-5-6-7-15(19)13-16(20)10-8-14-9-11-17(21-2)18(12-14)22-3/h9,11-12,15,19H,4-8,10,13H2,1-3H3
HMDB29853	1,2-Epoxy-1,2,7,7',8,8',11,12-octahydro-psi,psi-carotene	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/C=C/C=C(/C)\C=C/C=C(\C)CC\C=C(/C)CCC1OC1(C)C	InChI=1S/C40H62O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,15,18-20,23-26,29,39H,13-14,16-17,21-22,27-28,30-31H2,1-10H3/b12-11+,23-15-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+
HMDB29850	3,7-Dimethyl-6-octen-1-ol; (R)-form, O-b-D-Glucopyranoside	CC(CCOC1OC(CO)C(O)C(O)C1O)CCC=C(C)C	InChI=1S/C16H30O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,11-20H,4,6-9H2,1-3H3
HMDB29851	27-Deoxy-5alpha-cyprinol	CC(CO)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C	InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3
HMDB29858	Lansimide 3	COC(C1C(C(O)C(=O)N1C)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C19H21NO3/c1-20-16(18(23-2)14-11-7-4-8-12-14)15(17(21)19(20)22)13-9-5-3-6-10-13/h3-12,15-18,21H,1-2H3
HMDB29859	3-Nonenoic acid, 9CI, 8CI; (x)-form, Me ester	CCCCC\C=C/CC(=O)OC	InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3/b8-7-
HMDB32769	Osmaronin	C\C(COC1OC(CO)C(O)C(O)C1O)=C/C#N	InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2+
HMDB53373	TG(20:2n6/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,30-31,36,38,44,47,57H,4-13,15,18,20,22,28-29,32-35,37,39-43,45-46,48-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,38-36-,47-44-
HMDB48863	TG(16:1(9Z)/22:2(13Z,16Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,58H,4-15,18,22-23,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB48866	TG(16:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31,33,38,41,60H,4-15,18,22-23,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,41-38-
HMDB48867	TG(16:1(9Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31,33,38,41,47,50,60H,4-15,18,22-23,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,41-38-,50-47-
HMDB45768	TG(20:0/20:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,58H,4-20,22-23,25,27-28,30-57H2,1-3H3/b24-21-,29-26-
HMDB48869	TG(16:1(9Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,37,40,56H,4-7,9-10,12-15,18,22-23,28-30,32-36,38-39,41-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-,40-37-
HMDB46017	TG(20:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-,43-40-
HMDB46016	TG(20:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-
HMDB46019	TG(20:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,36,39,45,48,62H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB46018	TG(20:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,36,39,62H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-
HMDB34133	3-(1,1-Dimethylallyl)scopoletin	COC1=C(O)C=C2OC(=O)C(=CC2=C1)C(C)(C)C=C	InChI=1S/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3
HMDB34132	Rutacultin	COC1=C(OC)C=C2C=C(C(=O)OC2=C1)C(C)(C)C=C	InChI=1S/C16H18O4/c1-6-16(2,3)11-7-10-8-13(18-4)14(19-5)9-12(10)20-15(11)17/h6-9H,1H2,2-5H3
HMDB31323	3-Butenenitrile	C=CCC#N	InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
HMDB07287	DG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27,39,42H,3-4,6,8-10,15-16,20,23,26,28-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m0/s1
HMDB07286	DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27-28,30,39,42H,3-10,15-16,20,23,26,29,31-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1
HMDB07285	DG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,39,42H,3-10,15-16,20,23,26,28-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m0/s1
HMDB34130	Osthenol	CC(C)=CCC1=C2OC(=O)C=CC2=CC=C1O	InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3
HMDB12308	Vanillin	COC1=CC(C=O)=CC=C1O	InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
HMDB07282	DG(18:3(6Z,9Z,12Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,25,27,39,42H,3-11,13,15-16,20,22-24,26,28-38H2,1-2H3/b14-12-,19-17-,21-18-,27-25-/t39-/m0/s1
HMDB07281	DG(18:3(6Z,9Z,12Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,25,27,39,42H,3-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3/b14-12-,21-18-,27-25-/t39-/m0/s1
HMDB07280	DG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,37,40H,3-5,7,9-10,15-16,21-22,27-36H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m0/s1
HMDB12304	UDP-L-iduronate	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11-,12-,14-/m1/s1
HMDB34137	Octyl 2-methylpropanoate	CCCCCCCCOC(=O)C(C)C	InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
HMDB12306	Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate	OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1NC(=O)C	InChI=1S/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/b49-27+,50-29+,51-31+,52-33+,53-35+,54-37+,55-39+,56-41+,57-43+,58-45+/t61-,62+,63-,64-,65-,66+,67-,68+,70-,71-/m1/s1
HMDB12307	Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate	OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](C)C(NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1NC(=O)C	InChI=1S/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+/t61-,65-,66?,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1
HMDB12300	UDP-4-dehydro-6-deoxy-D-glucose	C[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)C1=O	InChI=1S/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6-,9-,10+,11-,12-,13-,14+/m1/s1
HMDB12301	UDP-D-apiose	OC[C@@]1(O)CO[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1O	InChI=1S/C14H22N2O16P2/c17-4-14(23)5-28-12(10(14)21)31-34(26,27)32-33(24,25)29-3-6-8(19)9(20)11(30-6)16-2-1-7(18)15-13(16)22/h1-2,6,8-12,17,19-21,23H,3-5H2,(H,24,25)(H,26,27)(H,15,18,22)/t6-,8-,9-,10+,11-,12+,14-/m1/s1
HMDB07289	DG(18:3(6Z,9Z,12Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,27,29,41,44H,3-11,13,15-17,19-22,24-26,28,30-40H2,1-2H3/b14-12-,23-18-,29-27-/t41-/m0/s1
HMDB34136	Octyl butanoate	CCCCCCCCOC(=O)CCC	InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
HMDB34135	Isoeugenol acetate	COC1=C(OC(C)=O)C=CC(\C=C/C)=C1	InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4-
HMDB56218	DG(20:1n9/0:0/22:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,43,46H,3-16,21-42H2,1-2H3/b19-17-,20-18-
HMDB56219	DG(20:1n9/0:0/24:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-
HMDB56216	DG(20:1n9/0:0/20:1n9)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41,44H,3-16,21-40H2,1-2H3/b19-17-,20-18-
HMDB56217	DG(20:1n9/0:0/20:3n9)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23,25,29,31,41,44H,3-16,21-22,24,26-28,30,32-40H2,1-2H3/b19-17-,20-18-,25-23-,31-29-
HMDB56214	DG(18:1n9/0:0/22:5n3)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,41,44H,3-4,6,8-10,12,14-16,20,24-25,27,29-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-
HMDB34134	Octyl propanoate	CCCCCCCCOC(=O)CC	InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
HMDB56212	DG(18:1n9/0:0/20:4n3)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,39,42H,3-4,6,8-10,12,14-16,20,23,25-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,24-22-
HMDB56213	DG(18:1n9/0:0/20:5n3)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,39,42H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-
HMDB56210	DG(18:1n9/0:0/18:3n3)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,37,40H,3-4,6,8-10,12,14-16,21-36H2,1-2H3/b7-5-,13-11-,19-17-,20-18-
HMDB56211	DG(18:1n9/0:0/18:4n3)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,37,40H,3-4,6,8-10,12,14-16,21-22,24,26-36H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-
HMDB50324	TG(20:1(11Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,34,36,53H,4-16,18-19,21-24,28,30-33,35,37-52H2,1-3H3/b20-17-,27-25-,29-26-,36-34-
HMDB50325	TG(20:1(11Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,54H,4-13,15-16,18-22,24,28-53H2,1-3H3/b17-14-,26-23-,27-25-
HMDB50326	TG(20:1(11Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,55H,4-15,17-18,20-24,29-30,32,34-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-
HMDB50327	TG(20:1(11Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,38,41,55H,4-15,17-18,20-24,29-30,32,34-37,39-40,42-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,41-38-
HMDB50320	TG(20:1(11Z)/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31,33,38,41,55H,4-24,29-30,32,34-37,39-40,42-54H2,1-3H3/b27-25-,28-26-,33-31-,41-38-
HMDB50321	TG(20:1(11Z)/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,57H,4-24,29-56H2,1-3H3/b27-25-,28-26-
HMDB50322	TG(20:1(11Z)/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-
HMDB50323	TG(20:1(11Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30,54H,4-19,21-22,24,26,29,31-53H2,1-3H3/b23-20-,27-25-,30-28-
HMDB50328	TG(20:1(11Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,57H,4-15,17-18,20-24,29-56H2,1-3H3/b19-16-,27-25-,28-26-
HMDB50329	TG(20:1(11Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,57H,4-15,17-18,20-24,29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-
HMDB46861	TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,32-33,40,43,58H,4-8,10-11,13-17,19-20,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,32-26-,33-27-,43-40-
HMDB54538	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB53592	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,37,40,61H,4-7,9-10,12-14,21-23,30-36,38-39,41-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,40-37-
HMDB00881	Xanthurenic acid	OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1	InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
HMDB53590	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,34-35,37-38,59H,4-7,9-10,12-14,21-23,30-33,36,39-58H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-
HMDB00883	L-Valine	CC(C)[C@H](N)C(O)=O	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
HMDB00884	Ribothymidine	CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O	InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1
HMDB00885	CE(16:0)	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C	InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
HMDB53594	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,37,39-40,42,48,51,61H,4-7,9-10,12-14,21-23,30-31,33,35-36,38,41,43-47,49-50,52-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,51-48-
HMDB00887	Hemin	[Cl-].[Fe+3].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O	InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
HMDB00888	Undecanedioic acid	OC(=O)CCCCCCCCCC(O)=O	InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
HMDB00889	Tauroursocholic acid	[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19?,20?,21+,22+,24?,25+,26-/m1/s1
HMDB53598	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,34-35,37-38,43,46,59H,4-6,9,12-14,21-23,30-33,36,39-42,44-45,47-58H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB53599	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,37,39-40,42,61H,4-6,9,12-14,21-23,30-31,33,35-36,38,41,43-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-
HMDB44705	TG(18:0/15:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-
HMDB44704	TG(18:0/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,37,40,53H,4-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b27-25-,32-30-,40-37-
HMDB44703	TG(18:0/15:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,53H,4-24,26,28-52H2,1-3H3/b27-25-
HMDB44702	TG(18:0/15:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-
HMDB44701	TG(18:0/15:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,51H,4-18,20-21,23-50H2,1-3H3/b22-19-
HMDB44700	TG(18:0/15:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-
HMDB54533	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-15,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB54532	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,40-41,43-44,49,52,64H,4-15,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB00774	Pregnenolone sulfate	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O	InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15?,16-,17+,18-,19-,20-,21+/m0/s1
HMDB00772	Nonadecanoic acid	CCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
HMDB00773	N-Acetyl-a-neuraminic acid	[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
HMDB11659	2-Methylerythritol	CC(O)(CO)[C@@H](O)CO	InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5?/m0/s1
HMDB11658	2,8-Dihydroxyquinoline-beta-D-glucuronide	O[C@H]1[C@H](OC2=NC3=C(O)C=CC=C3C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O	InChI=1S/C15H15NO8/c17-7-3-1-2-6-4-5-8(16-9(6)7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-5,10-13,15,17-20H,(H,21,22)/t10-,11-,12+,13-,15+/m0/s1
HMDB11657	2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine	CN(C=O)C1=C(N)N=C(N)N=C1O	InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)
HMDB11656	2,4,7,10,13,16,19-Docosaheptaenoyl-CoA	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C43H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-23,30-32,36-38,42,53-54H,4,7,10,13,16,19,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20+,23-22+/t32-,36-,37-,38?,42-/m1/s1
HMDB11655	2-(3-Carboxy-3-aminopropyl)-L-histidine	NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O	InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1
HMDB11654	2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O	InChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1/t7-,8?/m0/s1
HMDB11653	17-alpha,20-alpha-Dihydroxypregn-4-en-3-one	[H][C@@]12CC[C@](O)([C@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1
HMDB11652	11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid	C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(O)CC(O)=O	InChI=1S/C22H32O5/c1-21-8-7-13(23)9-12(21)3-4-14-15-5-6-16(17(24)10-19(26)27)22(15,2)11-18(25)20(14)21/h9,14-18,20,24-25H,3-8,10-11H2,1-2H3,(H,26,27)/t14?,15?,16?,17?,18-,20?,21-,22-/m0/s1
HMDB11651	11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid	C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)CC(O)=O	InChI=1S/C22H30O5/c1-21-8-7-13(23)9-12(21)3-4-14-15-5-6-16(17(24)10-19(26)27)22(15,2)11-18(25)20(14)21/h9,14-16,18,20,25H,3-8,10-11H2,1-2H3,(H,26,27)/t14?,15?,16?,18-,20?,21-,22-/m0/s1
HMDB00779	Phenyllactic acid	OC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
HMDB55741	TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,38-39,41-42,47-48,50-51,64H,4-7,10,13-16,19,22-24,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB55740	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,61H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB55743	TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,10,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB49055	TG(16:1(9Z)/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,39,42,55H,4-20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b24-21-,27-25-,33-30-,42-39-
HMDB55744	TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,46,49,63H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-,49-46-
HMDB55749	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-45,58H,4-6,9,12-15,22-24,30-31,37-39,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB55748	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,35,41,44,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,35-33-,44-41-
HMDB04257	3Z-dodecenoyl-CoA	CCCCCCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b12-11-/t22-,26?,27+,28+,32-/m1/s1
HMDB04256	7-Hydroxy-6-methyl-8-ribityl lumazine	CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1	InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1
HMDB04259	Acetyl-N-formyl-5-methoxykynurenamine	COC1=CC(C(=O)CCNC(C)=O)=C(NC=O)C=C1	InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
HMDB04258	Eicosanoyl-CoA	CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34?,35+,36+,40-/m1/s1
HMDB57677	CL(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-42,44,52,56,77-79,84H,5-20,22-24,29,34-35,39,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,40-37-,41-38-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57676	CL(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-42-45-49-53-57-61-65-78(83)91-71-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-38-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35-36,38-39,42,49,53,74-76,81H,5-20,22-24,29,34,37,40-41,43-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-36-,42-39-,53-49-/t74?,75-,76-/m1/s1
HMDB57675	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,36-38,40-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57674	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,36-38,40-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-/t79?,80-,81-/m1/s1
HMDB57673	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,36-38,40-43,48,52,60,64,79-81,86H,5-20,22-24,29,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57672	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,36-38,40-42,46,54,58,77-79,84H,5-20,22-24,29,34-35,39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,40-37-,41-38-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57671	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-32,36-41,76-78,83H,5-24,33-35,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-,41-38-/t76?,77-,78-/m1/s1
HMDB57670	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-40,75-77,82H,5-24,27,31,33-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB57679	CL(16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35-36,38-40,44,47,55,59,76-78,83H,5-20,22-24,29,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1
HMDB57678	CL(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-38,41-43,45,47,53,55,57,59,78-80,85H,5-20,23-24,29-30,35,39-40,44,46,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,41-38-,45-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1
HMDB56329	DG(20:3n6/0:0/20:5n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29,31,41,44H,3-4,6,8-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-
HMDB52245	TG(24:1(15Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,39,45,48,54,57,68H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB52244	TG(24:1(15Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,39,45,48,68H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB52247	TG(24:1(15Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,44,47,64H,4-8,10-11,13-16,19,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-,47-44-
HMDB52246	TG(24:1(15Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,64H,4-8,10-11,13-16,19,22-24,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-
HMDB52241	TG(24:1(15Z)/22:2(13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,66H,4-16,19,22-24,31-39,41-42,44-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB52240	TG(24:1(15Z)/22:2(13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C68H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,65H,4-14,16,19,21-23,30-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-
HMDB52243	TG(24:1(15Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,68H,4-16,19,22-24,31-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-
HMDB52242	TG(24:1(15Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,49,52,66H,4-16,19,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB52249	TG(24:1(15Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,49,52,66H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB52248	TG(24:1(15Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,66H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB55299	TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-41,43-44,62H,4-6,8,11,13-15,22-24,30-31,37-39,42,45-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-
HMDB55298	TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,38-39,42,44,47,60H,4-7,10,13-15,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB54166	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38-39,41-42,47-48,50-51,64H,4-16,19,22-24,31-37,40,43-46,49,52-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB54167	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,49,52,66H,4-16,19,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB54164	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB54165	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,61H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-
HMDB54162	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB54163	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB54160	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,38,40,43-44,47,60H,4-8,10-11,13-16,19,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB54161	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,46,49,62H,4-7,9-10,12-16,19,22-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB57585	CL(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-36,38-39,74-76,81H,5-24,27,31,33-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,32-28-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB57584	CL(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25-32,36,39,74-76,81H,5-24,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB57587	CL(16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,38,41,48,52,73-75,80H,5-20,22-24,29,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB57586	CL(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h25-32,36-37,39-40,75-77,82H,5-24,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB57581	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-34,36,38-40,46,50,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-/t77?,78-,79-/m1/s1
HMDB57580	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25,27-28,31-34,36,38-40,46,50,58,62,77-79,84H,5-20,22-24,26,29-30,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB54168	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,40,43-44,47,49,52,66H,4-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB54169	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB51538	TG(22:1(13Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,35,37,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-34,36,38-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-,37-35-
HMDB51539	TG(22:1(13Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,56H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-
HMDB51536	TG(22:1(13Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,36,39,44,47,58H,4-14,17,20-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,39-36-,47-44-
HMDB51537	TG(22:1(13Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-
HMDB51534	TG(22:1(13Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,58H,4-14,17,20-23,28-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-
HMDB51535	TG(22:1(13Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,36,39,58H,4-14,17,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,39-36-
HMDB51532	TG(22:1(13Z)/14:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,56H,4-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-
HMDB51533	TG(22:1(13Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,39,42,56H,4-14,16,19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,42-39-
HMDB51530	TG(22:1(13Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,30,35,37,54H,4-14,16,19,21-23,27-29,31-34,36,38-53H2,1-3H3/b18-15-,20-17-,26-24-,30-25-,37-35-
HMDB51531	TG(22:1(13Z)/14:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,55H,4-13,16,19-22,27-54H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB58025	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58024	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB53353	TG(20:2n6/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,35,37,43,46,52,55,65H,4-7,9-10,12-14,16,19,21-23,25,28,30-34,36,38-42,44-45,47-51,53-54,56-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,37-35-,46-43-,55-52-
HMDB58029	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,29,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58279	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-8,11-12,15-20,24,29-31,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB50913	TG(20:3(5Z,8Z,11Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,36,41,44,58H,4-15,17-18,20-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b19-16-,27-25-,28-26-,36-33-,44-41-
HMDB58028	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB35879	Hericenone A	COC1=CC2=C(COC2=O)C(O)=C1C\C=C(/C)CC(=O)C=C(C)C	InChI=1S/C19H22O5/c1-11(2)7-13(20)8-12(3)5-6-14-17(23-4)9-15-16(18(14)21)10-24-19(15)22/h5,7,9,21H,6,8,10H2,1-4H3/b12-5+
HMDB35878	8alpha-8-Hydroxy-12-oxo-13-abieten-18-oic acid	CC(C)C1=CC2(O)CCC3C(C)(CCCC3(C)C(O)=O)C2CC1=O	InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)
HMDB50912	TG(20:3(5Z,8Z,11Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-32,34-35,39-40,42-43,56H,4-15,17-18,20-24,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB35875	Myrianthic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O	InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)
HMDB35874	(10R,11R)-Pterosin L	CC1=CC2=C(C(=O)C(C)(CO)C2O)C(C)=C1CCO	InChI=1S/C15H20O4/c1-8-6-11-12(9(2)10(8)4-5-16)14(19)15(3,7-17)13(11)18/h6,13,16-18H,4-5,7H2,1-3H3
HMDB35877	(Z)-13-Hexadecenoic acid	CC\C=C/CCCCCCCCCCCC(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,5-15H2,1H3,(H,17,18)/b4-3-
HMDB35876	Mesuagin	CC(C)C(=O)C1=C2OC(C)(C)C=CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O	InChI=1S/C24H22O5/c1-13(2)20(26)19-21(27)18-16(14-8-6-5-7-9-14)12-17(25)28-22(18)15-10-11-24(3,4)29-23(15)19/h5-13,27H,1-4H3
HMDB35871	Hexathiepane	C1SSSSSS1	InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2
HMDB50911	TG(20:3(5Z,8Z,11Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-32,34-35,40,43,56H,4-15,17-18,20-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB35873	Myristicin	COC1=C2OCOC2=CC(CC=C)=C1	InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
HMDB35872	Oleuropein	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\C)[C@@H]1CC(=O)OCCC1=CC(O)=C(O)C=C1	InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
HMDB50910	TG(20:3(5Z,8Z,11Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,31,34,39,42,55H,4-13,15-16,18-22,24,28-30,32-33,35-38,40-41,43-54H2,1-3H3/b17-14-,26-23-,27-25-,34-31-,42-39-
HMDB50917	TG(20:3(5Z,8Z,11Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,33-34,37-38,41,54H,4-7,9-10,12-16,18-19,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB50916	TG(20:3(5Z,8Z,11Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,33,38,41,54H,4-7,9-10,12-16,18-19,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,33-30-,41-38-
HMDB56986	CL(18:0/18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,26,28-30,32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56987	CL(18:0/18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1
HMDB56984	CL(18:0/18:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,37,41,76-78,83H,5-24,26,28,30,32-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,41-37-/t76?,77-,78-/m1/s1
HMDB56985	CL(18:0/18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,37,42,46,54,58,77-79,84H,5-20,22-24,26,28-30,32,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB56982	CL(18:0/18:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,75-77,82H,5-24,26,28,30,32-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-/t75?,76-,77-/m1/s1
HMDB50915	TG(20:3(5Z,8Z,11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,17-18,20-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB56980	CL(18:0/18:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,75-77,82H,5-24,26-28,30-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-/t75?,76-,77-/m1/s1
HMDB56981	CL(18:0/18:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,73-75,80H,5-24,26-27,30-31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-/t73?,74-,75-/m1/s1
HMDB50914	TG(20:3(5Z,8Z,11Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,36-37,39,41,44,58H,4-15,17-18,20-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB56988	CL(18:0/18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56989	CL(18:0/18:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h33,36,73-75,80H,5-32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-/t73?,74-,75-/m1/s1
HMDB09564	PE(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,32,34,45H,3-10,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
HMDB09565	PE(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,45H,3-5,7,9-10,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-/t45-/m1/s1
HMDB09566	PE(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,32,34,45H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
HMDB09567	PE(22:2(13Z,16Z)/22:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,47H,3-10,12,14-16,18,20-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-/t47-/m1/s1
HMDB09560	PE(22:2(13Z,16Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,45H,3-10,12,14-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-/t45-/m1/s1
HMDB09561	PE(22:2(13Z,16Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45H,3-10,15-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-/t45-/m1/s1
HMDB09562	PE(22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,26,28,32,34,45H,3-10,12,14-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
HMDB09563	PE(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,45H,3-10,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,28-26-/t45-/m1/s1
HMDB07508	DG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,39,42H,3-10,12,14-16,20,24-26,28,30-38H2,1-2H3/b13-11-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB07509	DG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,39,42H,3-10,15-16,20,24-26,28,30-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB09568	PE(22:2(13Z,16Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,47H,3-10,12,14-16,21-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-/t47-/m1/s1
HMDB09569	PE(22:2(13Z,16Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,47H,3-10,15-16,21-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-/t47-/m1/s1
HMDB44078	TG(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,54H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-53H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,29-28-,35-33-
HMDB33334	Antibiotic X 14889D	CCC(C1OC(C)(CC1C)C12OC(C)C(CC)(CC1C)O2)C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C	InChI=1S/C33H58O7/c1-12-25(27(35)22(8)26(34)23(9)28-18(4)15-20(6)32(36,14-3)39-28)29-19(5)16-30(11,38-29)33-21(7)17-31(13-2,40-33)24(10)37-33/h18-26,28-29,34,36H,12-17H2,1-11H3
HMDB33335	Antibiotic X 14889C	CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC(O)=O)C(C)CC1C	InChI=1S/C33H58O10/c1-11-24(29-18(4)14-30(10,41-29)33(40)20(6)15-31(12-2,43-33)23(9)34)27(38)21(7)26(37)22(8)28-17(3)13-19(5)32(39,42-28)16-25(35)36/h17-24,26,28-29,34,37,39-40H,11-16H2,1-10H3,(H,35,36)
HMDB33336	Antibiotic X 14889A	CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C	InChI=1S/C33H60O8/c1-12-25(27(36)22(8)26(35)23(9)28-18(4)15-20(6)32(37,14-3)40-28)29-19(5)16-30(11,39-29)33(38)21(7)17-31(13-2,41-33)24(10)34/h18-26,28-29,34-35,37-38H,12-17H2,1-11H3
HMDB33337	Fusarin C	COC(=O)\C(=C/C)\C=C(/C)\C=C(\C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O	InChI=1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12-,15-13+,16-9+,17-6-
HMDB33330	Dihydrocoriandrin	COC1=C2C=COC2=CC2=C1C(=O)OC(C)C2	InChI=1S/C13H12O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-4,6-7H,5H2,1-2H3
HMDB33331	(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene	CC(=C)\C=C/C1=CC(\C=C/C2=CC(O)=CC(O)=C2)=CC=C1O	InChI=1S/C19H18O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-12,20-22H,1H2,2H3/b5-4-,7-3-
HMDB33332	Garcinone D	COC1=C(O)C=C2OC3=C(C(O)=C(CC=C(C)C)C(O)=C3)C(=O)C2=C1CCC(C)(C)O	InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
HMDB33333	2,3-Epoxysesamone	CC(C)=CCC12OC1C(=O)C1=C(C(O)=CC=C1O)C2=O	InChI=1S/C15H14O5/c1-7(2)5-6-15-13(19)11-9(17)4-3-8(16)10(11)12(18)14(15)20-15/h3-5,14,16-17H,6H2,1-2H3
HMDB41120	4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione	O=C1OC(=O)C2=C(C=CC3=CC=CC1=C23)C1=CC=CC=C1	InChI=1S/C18H10O3/c19-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18(20)21-17/h1-10H
HMDB41121	2-(4-Hydroxyphenyl)naphthalic anhydride	OC1=CC=C(C=C1)C1=C2C(=O)OC(=O)C3=C2C(C=C1)=CC=C3	InChI=1S/C18H10O4/c19-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(21)22-17(14)20/h1-9,19H
HMDB41122	(S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone	CC1CC(=O)C2=C(O)C=CC=C2C1=O	InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3
HMDB41123	Kinobeon A	COC1=CC(=C\C=C\C=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O	InChI=1S/C20H20O6/c1-23-15-9-13(10-16(24-2)19(15)21)7-5-6-8-14-11-17(25-3)20(22)18(12-14)26-4/h5-12H,1-4H3/b6-5+
HMDB33338	Mollicellin F	CC1=C(Cl)C(O)=C(C=O)C2=C1C(=O)OC1=C(O2)C(C)=C2C(=O)CC(C)(C)OC2=C1O	InChI=1S/C21H17ClO8/c1-7-12-17(9(6-23)14(25)13(7)22)28-16-8(2)11-10(24)5-21(3,4)30-18(11)15(26)19(16)29-20(12)27/h6,25-26H,5H2,1-4H3
HMDB33339	Mollicellin A	CC1=CC(O)=C(C=O)C2=C1C(=O)OC1=C(O2)C(C)=C2C(=O)CC(C)(C)OC2=C1	InChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)26-15-6-14-17(10(2)18(15)27-19)13(24)7-21(3,4)28-14/h5-6,8,23H,7H2,1-4H3
HMDB41126	Heterophylol	COC1=CC(OC)=C2CC3C(CC2=C1CC=C(C)C)C(C)(C)OC1=C3C=CC(O)=C1	InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3
HMDB41127	1,2,2'-Trisinapoylgentiobioside	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)OC2([H])OC([H])(C([H])([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H])C([H])(O[H])C([H])(O[H])C2([H])OC(=O)C(\[H])=C(/[H])C2=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C2[H])C([H])=C1OC([H])([H])[H]	InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+
HMDB50661	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,39,45,48,60H,4-17,19-20,22-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB50660	TG(20:1(11Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,59H,4-16,18-19,21-24,27,30-33,35-36,38-58H2,1-3H3/b20-17-,28-25-,29-26-,37-34-
HMDB50663	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,47,50,62H,4-17,19-20,22-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB44076	TG(16:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,31,52H,4-6,8-9,11-15,17-18,20,22-23,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,31-28-
HMDB50665	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,33,35,38,44,47,59H,4-16,18-19,22-23,27,31-32,34,36-37,39-43,45-46,48-58H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,33-30-,38-35-,47-44-
HMDB50664	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,49,52,64H,4-17,19-20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB50667	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,35,38,44,47,59H,4-14,16,19,21-23,30-34,36-37,39-43,45-46,48-58H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,38-35-,47-44-
HMDB50666	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32,34,37-38,41,43,46,58H,4-16,19,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB44071	TG(16:0/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,21,24-26,54H,4-15,17-18,20,22-23,27-53H2,1-3H3/b19-16-,24-21-,26-25-
HMDB44073	TG(16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,35,41,44,54H,4-15,17-18,20,22-23,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b19-16-,24-21-,26-25-,29-28-,35-33-,44-41-
HMDB44072	TG(16:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,35,54H,4-15,17-18,20,22-23,27,30-32,34,36-53H2,1-3H3/b19-16-,24-21-,26-25-,29-28-,35-33-
HMDB03518	Homocitric acid	OC(=O)CC[C@@](O)(CC(O)=O)C(O)=O	InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1
HMDB03514	Alpha-D-Glucose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O	InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1
HMDB32067	Allyl crotonate	C\C=C/C(=O)OCC=C	InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3/b5-3-
HMDB32066	Carbanilide	O=C(NC1=CC=CC=C1)NC1=CC=CC=C1	InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
HMDB32065	Butyl dodecanoate	CCCCCCCCCCCC(=O)OCCCC	InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
HMDB32064	(S)-3-Butyl-1(3H)-isobenzofuranone	CCCCC1OC(=O)C2=C1C=CC=C2	InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
HMDB32063	4-tert-Butylphenol	CC(C)(C)C1=CC=C(O)C=C1	InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
HMDB32062	2-tert-Butyl-1,4-benzenediol	CC(C)(C)C1=CC(O)=CC=C1O	InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
HMDB32061	3-Butylidene-1(3H)-isobenzofuranone	CCC\C=C1\OC(=O)C2=C1C=CC=C2	InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
HMDB32060	2-Butyl-4-methylphenol	CCCCC1=C(O)C=CC(C)=C1	InChI=1S/C11H16O/c1-3-4-5-10-8-9(2)6-7-11(10)12/h6-8,12H,3-5H2,1-2H3
HMDB47405	TG(24:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,41,44,46,49-50,53,64H,4-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-
HMDB47404	TG(24:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,41,44,46,49,64H,4-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-
HMDB47407	TG(24:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,34-35,40,42-43,45,60H,4-7,9-10,12-16,19,22-25,28-33,36-39,41,44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,43-40-,45-42-
HMDB47406	TG(24:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,34-35,42,45,60H,4-7,9-10,12-16,19,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,45-42-
HMDB47401	TG(24:0/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,39,44,47,62H,4-16,19,22-25,28,30-35,38,40-43,45-46,48-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,39-37-,47-44-
HMDB47400	TG(24:0/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,35,43,46,61H,4-13,15-16,19-20,22,24-25,28-34,36-42,44-45,47-60H2,1-3H3/b17-14-,21-18-,26-23-,35-27-,46-43-
HMDB32069	Brevetoxin B2	CC1CC2OC3CC4OC(=O)C=C(C)C4OC3(C)CC2OC2CCC3(C)OC4(C)CC5OC6CC7OC8(C)C(O)CC(CC(CO)CS(=O)CC(N)C(O)=O)OC8CC7OC6\C=C/CC5(C)OC4CC3OC12	InChI=1S/C53H79NO17S/c1-26-13-33-38(21-51(5)40(64-33)19-37-47(70-51)27(2)14-45(57)66-37)63-32-10-12-50(4)41(67-46(26)32)20-42-52(6,71-50)22-44-49(3,69-42)11-8-9-31-34(65-44)17-36-35(62-31)18-43-53(7,68-36)39(56)16-29(61-43)15-28(23-55)24-72(60)25-30(54)48(58)59/h8-9,14,26,28-44,46-47,55-56H,10-13,15-25,54H2,1-7H3,(H,58,59)/b9-8-
HMDB32068	Notoginsenoside H	CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C47H80O19/c1-42(2,60)12-9-13-47(8,66-40-36(59)33(56)31(54)25(18-48)63-40)21-10-15-45(6)29(21)22(50)16-27-44(5)14-11-28(52)43(3,4)38(44)24(17-46(27,45)7)62-41-37(34(57)32(55)26(19-49)64-41)65-39-35(58)30(53)23(51)20-61-39/h9,12,21-41,48-60H,10-11,13-20H2,1-8H3/b12-9+
HMDB45933	TG(20:0/20:2n6/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,34,36,59H,4-14,17,20-23,26,29-33,35,37-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,36-34-
HMDB45932	TG(20:0/20:2n6/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,23-24,26-27,58H,4-13,16,19-22,25,28-57H2,1-3H3/b17-14-,18-15-,26-23-,27-24-
HMDB45931	TG(20:0/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,31,37,40,57H,4-13,15-16,19-20,22,24-25,28-30,32-36,38-39,41-56H2,1-3H3/b17-14-,21-18-,26-23-,31-27-,40-37-
HMDB45930	TG(20:0/20:2n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-24,27,29,32,58H,4-14,16-17,19,21-22,25-26,28,30-31,33-57H2,1-3H3/b18-15-,23-20-,27-24-,32-29-
HMDB45937	TG(20:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,32,34,39,42,48,51,61H,4-14,17,20-23,26,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,34-32-,42-39-,51-48-
HMDB45936	TG(20:0/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,32,34,39,42,61H,4-14,17,20-23,26,29-31,33,35-38,40-41,43-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,34-32-,42-39-
HMDB45935	TG(20:0/20:2n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,61H,4-14,17,20-23,26,29-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-
HMDB45934	TG(20:0/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,34,36,42,45,59H,4-14,17,20-23,26,29-33,35,37-41,43-44,46-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,36-34-,45-42-
HMDB45939	TG(20:0/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,31,37,40,57H,4-8,10-11,13,15-16,19-20,22,24-25,28-30,32-36,38-39,41-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,31-27-,40-37-
HMDB45938	TG(20:0/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,31,57H,4-8,10-11,13,15-16,19-20,22,24-25,28-30,32-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,31-27-
HMDB56497	CL(16:0/18:0/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H154O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h73-75,80H,5-72H2,1-4H3,(H,85,86)(H,87,88)/t73?,74-,75-/m1/s1
HMDB38748	Osmanthuside A	OCC1OC(OCCC2=CC=C(O)C=C2)C(O)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C23H26O9/c24-13-18-22(32-19(27)10-5-14-1-6-16(25)7-2-14)20(28)21(29)23(31-18)30-12-11-15-3-8-17(26)9-4-15/h1-10,18,20-26,28-29H,11-13H2/b10-5+
HMDB38749	Osmanthuside B	CC1OC(OC2C(O)C(OCCC3=CC=C(O)C=C3)OC(CO)C2OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C29H36O13/c1-15-22(34)23(35)24(36)29(39-15)42-27-25(37)28(38-13-12-17-4-9-19(32)10-5-17)40-20(14-30)26(27)41-21(33)11-6-16-2-7-18(31)8-3-16/h2-11,15,20,22-32,34-37H,12-14H2,1H3/b11-6+
HMDB38740	Genistein 5-glucoside	OCC1OC(OC2=C3C(=O)C(=COC3=CC(O)=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2
HMDB38741	Genistein 7-O-(2-p-coumaroylglucoside)	OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C30H26O12/c31-13-23-27(37)28(38)29(42-24(35)10-3-15-1-6-17(32)7-2-15)30(41-23)40-19-11-21(34)25-22(12-19)39-14-20(26(25)36)16-4-8-18(33)9-5-16/h1-12,14,23,27-34,37-38H,13H2/b10-3+
HMDB38742	Armillasin	CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=CC23O)C(O)=CC(O)=C1	InChI=1S/C22H28O5/c1-12-7-14(23)8-16(24)18(12)19(25)27-17-11-21(4)15-10-20(2,3)9-13(15)5-6-22(17,21)26/h5-8,13,15,17,23-24,26H,9-11H2,1-4H3
HMDB38743	Armillatin	CCCCCCCCCCCCCCCC(=O)OC12C=CC3CC(C)(C)CC3C1(C)CC2OC(=O)C1=C(C)C=C(O)C=C1O	InChI=1S/C38H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(41)44-38-21-20-28-24-36(3,4)25-30(28)37(38,5)26-32(38)43-35(42)34-27(2)22-29(39)23-31(34)40/h20-23,28,30,32,39-40H,6-19,24-26H2,1-5H3
HMDB38744	9-Hydroxygeraniol	C\C(CO)=C\CC\C(C)=C\CO	InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5-
HMDB38745	Glyuranolide	COC(=O)C12CCC3(C)C4CC(C)(CC3C1=CC(=O)C1C3(C)CCC(O)C(C)(C)C3CCC21C)C(=O)O4	InChI=1S/C31H44O6/c1-26(2)20-8-11-30(6)23(29(20,5)10-9-21(26)33)19(32)14-17-18-15-27(3)16-22(37-24(27)34)28(18,4)12-13-31(17,30)25(35)36-7/h14,18,20-23,33H,8-13,15-16H2,1-7H3
HMDB38746	Gibberellin A74	CC12CCC(O)C(C)(C1C(C(O)=O)C13CC(C(O)CC21)C(=C)C3)C(O)=O	InChI=1S/C20H28O6/c1-9-7-20-8-10(9)11(21)6-12(20)18(2)5-4-13(22)19(3,17(25)26)15(18)14(20)16(23)24/h10-15,21-22H,1,4-8H2,2-3H3,(H,23,24)(H,25,26)
HMDB38747	2,7-Dimethyl-2,4-octadiene-1,8-diol; (2E,4E,7R)-form, 8-O-b-D-Glucopyranoside	CC(COC1OC(CO)C(O)C(O)C1O)C\C=C/C=C(/C)CO	InChI=1S/C16H28O7/c1-10(7-17)5-3-4-6-11(2)9-22-16-15(21)14(20)13(19)12(8-18)23-16/h3-5,11-21H,6-9H2,1-2H3/b4-3-,10-5-
HMDB35596	Armexifolin	CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1=O	InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3
HMDB35597	alpha-Carissanol	CC1=C2CC(CCC2(C)CC(O)C1=O)C(C)(C)O	InChI=1S/C15H24O3/c1-9-11-7-10(14(2,3)18)5-6-15(11,4)8-12(16)13(9)17/h10,12,16,18H,5-8H2,1-4H3
HMDB35594	Bryononic acid	CC1(C)C2CCC3=C(CCC4(C)C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1=O	InChI=1S/C30H46O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-22H,8-18H2,1-7H3,(H,32,33)
HMDB35595	trans-p-Menthane-1,8-diol	CC(C)(O)C1CCC(C)(O)CC1	InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3
HMDB30519	1-Methyl-2-nonyl-4(1H)-quinolinone	CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C	InChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)2/h10-11,13-15H,3-9,12H2,1-2H3
HMDB30518	Oxytetracycline	CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)C3(C)O	InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)
HMDB35590	3,4,15-Scirpenetriol; (3a,4b)-form, 15-Ac, 4-O-a-D-glucopyranoside	CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC3OC(CO)C(O)C(O)C3O)C2(C)C11CO1	InChI=1S/C23H34O11/c1-10-4-5-22(8-30-11(2)25)13(6-10)33-19-17(29)18(21(22,3)23(19)9-31-23)34-20-16(28)15(27)14(26)12(7-24)32-20/h6,12-20,24,26-29H,4-5,7-9H2,1-3H3
HMDB35591	3-Caren-5-one	CC1=CC(=O)C2C(C1)C2(C)C	InChI=1S/C10H14O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h5,7,9H,4H2,1-3H3
HMDB30515	Subtilin	CCC(C)C(NC(=O)C(CCCCN)NC(=O)C1CSC(C)C2NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C3CSC(C)C(NC(=O)C(NC(=O)C4CSC(C)C(NC(=O)C5CSCC(NC(=O)C(CCCCN)NC(=O)C(N)CC6=CNC7=C6C=CC=C7)C(=O)NC(CCC(O)=O)C(=O)NC(=C)C(=O)NC(CC(C)C)C(=O)N5)C(=O)N5CCCC5C(=O)NCC(=O)N4)C(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(=CC)C(=O)N3)C(C)SCC(NC2=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NC(=C)C(=O)NC(CCCCN)C(O)=O	InChI=1S/C148H227N39O38S5/c1-21-74(13)114(144(220)161-77(16)120(196)169-93(148(224)225)41-30-33-51-151)182-127(203)89(40-29-32-50-150)165-136(212)103-66-228-80(19)117-146(222)180-105(138(214)174-99(59-109(155)190)133(209)179-103)68-229-79(18)116(145(221)175-97(56-72(9)10)134(210)184-117)183-128(204)91(44-47-108(154)189)167-130(206)96(55-71(7)8)172-132(208)98(57-82-35-24-23-25-36-82)173-137(213)104-67-227-78(17)115(142(218)158-61-110(191)159-75(14)119(195)170-94(53-69(3)4)129(205)166-90(43-46-107(153)188)126(202)163-86(22-2)123(199)178-104)185-143(219)113(73(11)12)181-140(216)102-65-230-81(20)118(147(223)187-52-34-42-106(187)141(217)157-62-111(192)162-102)186-139(215)101-64-226-63-100(135(211)168-92(45-48-112(193)194)124(200)160-76(15)121(197)171-95(54-70(5)6)131(207)177-101)176-125(201)88(39-28-31-49-149)164-122(198)85(152)58-83-60-156-87-38-27-26-37-84(83)87/h22-27,35-38,60,69-75,78-81,85,88-106,113-118,156H,15-16,21,28-34,39-59,61-68,149-152H2,1-14,17-20H3,(H2,153,188)(H2,154,189)(H2,155,190)(H,157,217)(H,158,218)(H,159,191)(H,160,200)(H,161,220)(H,162,192)(H,163,202)(H,164,198)(H,165,212)(H,166,205)(H,167,206)(H,168,211)(H,169,196)(H,170,195)(H,171,197)(H,172,208)(H,173,213)(H,174,214)(H,175,221)(H,176,201)(H,177,207)(H,178,199)(H,179,209)(H,180,222)(H,181,216)(H,182,203)(H,183,204)(H,184,210)(H,185,219)(H,186,215)(H,193,194)(H,224,225)/b86-22+
HMDB30517	Thiopeptin Ba	C\C=C1/NC(=O)C(NC(=O)C2=CSC(=N2)C23CCC(NC2C2=CSC(=N2)C(NC(=S)C2=CSC(=N2)C(NC(=O)C2CSC1=N2)C(C)(O)C(C)O)C(C)OC(=O)C1=NC2=C(C=CC(NC(C(C)C)C(=O)NC(C)C(=O)NC(=C)C(=O)NC(C)C(=O)N3)C2O)C(=C1)C(C)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(O)=O)C(C)O	InChI=1S/C71H84N18O18S6/c1-14-37-63-82-43(22-109-63)59(100)88-52(70(13,106)34(12)92)66-84-45(24-112-66)62(108)87-48-33(11)107-68(105)40-19-36(31(9)90)35-15-16-38(50(93)49(35)78-40)77-46(25(2)3)60(101)75-28(6)54(95)72-26(4)53(94)73-29(7)56(97)89-71(69-85-44(23-113-69)58(99)86-47(32(10)91)61(102)80-37)18-17-39(79-51(71)41-20-111-65(48)81-41)64-83-42(21-110-64)57(98)74-27(5)55(96)76-30(8)67(103)104/h14-16,19-21,23-25,28-29,31-34,38-39,43,46-48,50-52,77,79,90-93,106H,4-5,8,17-18,22H2,1-3,6-7,9-13H3,(H,72,95)(H,73,94)(H,74,98)(H,75,101)(H,76,96)(H,80,102)(H,86,99)(H,87,108)(H,88,100)(H,89,97)(H,103,104)/b37-14-
HMDB30516	Petasinine	CC=C(C)C(=O)OC1CN2CCCC2C1CO	InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-
HMDB30511	Majoroside F1	CC(=C)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H82O19/c1-21(2)23(52)10-16-48(8,67-42-39(61)36(58)33(55)26(19-50)63-42)22-9-14-47(7)31(22)24(53)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(59)34(56)27(20-51)64-43)66-41-38(60)35(57)32(54)25(18-49)62-41/h22-43,49-61H,1,9-20H2,2-8H3
HMDB30510	Notoginsenoside C	CC(=C)C(CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C)OO	InChI=1S/C54H92O25/c1-22(2)25(79-70)10-16-54(8,78-48-44(69)40(65)37(62)29(75-48)21-71-46-42(67)38(63)34(59)26(18-55)72-46)23-9-14-53(7)33(23)24(58)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(66)36(61)28(20-57)74-49)77-47-43(68)39(64)35(60)27(19-56)73-47/h23-49,55-70H,1,9-21H2,2-8H3
HMDB30513	Majoroside F2	CC(=C)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3
HMDB30512	Momoridcin	COC12C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CCC1(CO)CCC(C)C(C)C21	InChI=1S/C31H50O3/c1-20-9-15-30(19-32)18-17-29(7)28(6)14-10-22-26(3,4)24(33)12-13-27(22,5)23(28)11-16-31(29,34-8)25(30)21(20)2/h11,16,20-23,25,32H,9-10,12-15,17-19H2,1-8H3
HMDB35048	Gibberellin A54	CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)CC2O)C(=C)C5	InChI=1S/C19H24O6/c1-8-6-18-7-9(8)3-4-10(18)19-12(21)5-11(20)17(2,16(24)25-19)14(19)13(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)
HMDB35049	Gibberellin A67	CC12CCCC3(OC1=O)C1CCC4(O)CC1(C(O)C4=C)C(C23)C(O)=O	InChI=1S/C19H24O6/c1-9-13(20)18-8-17(9,24)7-4-10(18)19-6-3-5-16(2,15(23)25-19)12(19)11(18)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)
HMDB35044	Gibberellin A63	CC12C3C(C(O)=O)C45CC(CCC4C3(CCC1O)OC2=O)C(=C)C5O	InChI=1S/C19H24O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)
HMDB35045	Gibberellin A39	CC1(C2C(C(O)=O)C34CC(C(O)CC3C2(CCC1O)C(O)=O)C(=C)C4)C(O)=O	InChI=1S/C20H26O8/c1-8-6-19-7-9(8)10(21)5-11(19)20(17(27)28)4-3-12(22)18(2,16(25)26)14(20)13(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)
HMDB35046	Gibberellin A43	CC1(C2C(C(O)=O)C34CC(CCC3C2(CC(O)C1O)C(O)=O)C(=C)C4)C(O)=O	InChI=1S/C20H26O8/c1-8-5-19-6-9(8)3-4-11(19)20(17(27)28)7-10(21)14(22)18(2,16(25)26)13(20)12(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)
HMDB35047	Gibberellin A37	CC12C3C(C(O)=O)C45CC(CCC4C3(CCC1O)COC2=O)C(=C)C5	InChI=1S/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)
HMDB35040	7-Hydroxycostol	CC12CCCC(=C)C1CC(O)(CC2)C(=C)CO	InChI=1S/C15H24O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h13,16-17H,1-2,4-10H2,3H3
HMDB35041	Gibberellin A51	CC12CC(O)CC3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)
HMDB35042	Gibberellin A45	CC12CCCC3(OC1=O)C1CCC4CC1(C(O)C4=C)C(C23)C(O)=O	InChI=1S/C19H24O5/c1-9-10-4-5-11-18(8-10,14(9)20)12(15(21)22)13-17(2)6-3-7-19(11,13)24-16(17)23/h10-14,20H,1,3-8H2,2H3,(H,21,22)
HMDB35043	Gibberellin A58	CC12C3C(C(O)=O)C45CC(C(O)CC4C3(CCC1O)OC2=O)C(=C)C5	InChI=1S/C19H24O6/c1-8-6-18-7-9(8)10(20)5-11(18)19-4-3-12(21)17(2,16(24)25-19)14(19)13(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)
HMDB56159	DG(16:1n7/0:0/20:1n9)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,21,23,37,40H,3-16,19-20,22,24-36H2,1-2H3/b18-17-,23-21+
HMDB56158	DG(16:1n7/0:0/18:1n9)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-19,21,35,38H,3-16,20,22-34H2,1-2H3/b18-17-,21-19+
HMDB41199	Vitexin; 6''-O-(3-Hydroxy-3-methylglutaroyl)	CC(O)(CC(O)=O)CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1	InChI=1S/C27H28O14/c1-27(38,8-18(32)33)9-19(34)39-10-17-22(35)23(36)24(37)26(41-17)21-14(30)6-13(29)20-15(31)7-16(40-25(20)21)11-2-4-12(28)5-3-11/h2-7,17,22-24,26,28-30,35-38H,8-10H2,1H3,(H,32,33)
HMDB56151	DG(14:1n5/0:0/18:4n3)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C35H58O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20-23,33,36H,3-4,6,8-10,12,14-15,18-19,24-32H2,1-2H3/b7-5-,13-11-,17-16-,22-20-,23-21+
HMDB56150	DG(14:1n5/0:0/18:3n3)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,21,23,33,36H,3-4,6,8-10,12,14-15,18-20,22,24-32H2,1-2H3/b7-5-,13-11-,17-16-,23-21+
HMDB56153	DG(14:1n5/0:0/20:5n3)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23-26,35,38H,3-4,6,8-10,12,14-15,18,21-22,27-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,25-23+,26-24-
HMDB56152	DG(14:1n5/0:0/20:4n3)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,35,38H,3-4,6,8-10,12,14-15,18,21-22,24,26-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,25-23+
HMDB56155	DG(14:1n5/0:0/22:6n3)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24-25,27-28,30,37,40H,3-4,6,8-10,12,14-15,18,21,23,26,29,31-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,27-25+,30-28-
HMDB56154	DG(14:1n5/0:0/22:5n3)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24-25,27,37,40H,3-4,6,8-10,12,14-15,18,21,23,26,28-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,27-25+
HMDB56157	DG(16:1n7/0:0/18:1n7)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,19,21,35,38H,3-12,14,16-18,20,22-34H2,1-2H3/b15-13-,21-19+
HMDB56156	DG(16:1n7/0:0/16:1n7)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33,36H,3-16,21-32H2,1-2H3/b19-17+,20-18+
HMDB36584	Tetramethylpyrazine	CC1=NC(C)=C(C)N=C1C	InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
HMDB36585	Coniferin	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(\C=C/CO)=C1	InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2-
HMDB36586	1,3-Dimethoxyanthraquinone	COC1=CC2=C(C(OC)=C1)C(=O)C1=C(C=CC=C1)C2=O	InChI=1S/C16H12O4/c1-19-9-7-12-14(13(8-9)20-2)16(18)11-6-4-3-5-10(11)15(12)17/h3-8H,1-2H3
HMDB36587	Quassin	COC1=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C34C)C2(C)C1=O	InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3
HMDB36580	5,8-Epoxydaucane	CC(C)C1CCC2(C)CCC3(C)CCC12O3	InChI=1S/C15H26O/c1-11(2)12-5-6-13(3)7-8-14(4)9-10-15(12,13)16-14/h11-12H,5-10H2,1-4H3
HMDB36581	1,26-Hexacosanediol	OCCCCCCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C26H54O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h27-28H,1-26H2
HMDB36582	6-Methoxy-2(3H)-benzoxazolone	COC1=CC=C2NC(=O)OC2=C1.COC1=CC=C2N=C(O)OC2=C1	InChI=1S/2C8H7NO3/c2*1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2*2-4H,1H3,(H,9,10)
HMDB36583	Methyl jasmonate	CC\C=C\CC1C(CC(=O)OC)CCC1=O	InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
HMDB58119	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-32,36-37,39-40,75-77,82H,5-24,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB58118	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37-38,41-42,77-79,84H,5-24,28,32-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB36588	Capsanthin 5,6-epoxide	C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19-,32-20-
HMDB36589	1,2-Dehydro-alpha-cyperone	CC(=C)C1CCC2(C)C=CC(=O)C(C)=C2C1	InChI=1S/C15H20O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h6,8,12H,1,5,7,9H2,2-4H3
HMDB43899	TG(16:0/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,31,34,50H,4-15,17-18,20-24,27-30,32-33,35-49H2,1-3H3/b19-16-,26-25-,34-31-
HMDB41946	n-nitrosoproline	OC(=O)C1CCCN1N=O	InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9)
HMDB41947	n1,n8-diacetylspermidine	CC(O)=NCCCC[NH2+]CCCN=C(C)O	InChI=1S/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)/p+1
HMDB41944	n-acetylprocainamide	CCN(CC)CCNC(=O)C1=CC=C(C=C1)N=C(C)O	InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)
HMDB41945	n-ethylglycine	CCNCC(O)=O	InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
HMDB09919	PI(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,27-25-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09918	PI(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-,25-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB41940	n'-nitrosonornicotine	O=NN1CCCC1C1=CN=CC=C1	InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2
HMDB41941	n,n'-dinitrosopiperazine	O=NN1CCN(CC1)N=O	InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2
HMDB09915	PI(22:4(7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,41,44-49,52-56H,3-10,12,14-16,18,20,23-24,26,28-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,27-25-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09914	PI(22:4(7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,39,42-47,50-54H,3-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,25-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09917	PI(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,31,33,41,44-49,52-56H,3-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,27-25-,33-31-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09916	PI(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,29,31,39,42-47,50-54H,3-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,25-24-,31-29-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09911	PI(22:3(10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,41,44-49,52-56H,3-5,7,9-10,15-16,20,24-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09910	PI(22:3(10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,28,30,41,44-49,52-56H,3-10,15-16,20,24-27,29,31-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-,30-28-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09913	PI(22:4(10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09912	PI(22:4(10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB37442	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[b-D-Glucopyranosyl-(1-&gt;?)-b-D-glucopyranoside]	[Br-].CC1=CC(SCC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)=CC(C)=[O+]1	InChI=1S/C21H19O2S.BrH/c1-15-12-20(13-16(2)23-15)24-14-21(22)19-10-8-18(9-11-19)17-6-4-3-5-7-17;/h3-13H,14H2,1-2H3;1H/q+1;/p-1
HMDB30491	Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-di-(9Z,11E,13Z-octadecatrienoate) 3-(8Z,11Z,13E-octadecatrienoate)	CCCC\C=C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C\CCCC)OC(=O)CCCCCCC\C=C/C=C/C=C\CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-25,27-30,32,54H,4-12,26,31,33-53H2,1-3H3/b16-13-,17-14+,18-15-,22-19+,23-20-,24-21+,28-25-,30-27-,32-29-
HMDB37440	Populnin; 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(-&gt;2)-b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O	InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+
HMDB59320	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,41-42,44-45,48,50-54,60,62,64,66,83-85,90H,5-8,10-12,14-20,24,28-32,39-40,43,46-47,49,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB37441	Kaempferide	COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
HMDB30494	Spirolide E	CCC(O)C(\C)=C\C1C(C)=C(CCC1(CCC(C)CN)C(=O)CCCC(=C)CC1CCC(C)(O)C2(CCC3(CC(C)CO3)O2)O1)C1OC(=O)C(C)=C1	InChI=1S/C43H67NO8/c1-9-36(45)30(5)22-35-32(7)34(37-23-31(6)39(47)50-37)15-18-41(35,17-13-28(3)25-44)38(46)12-10-11-27(2)21-33-14-16-40(8,48)43(51-33)20-19-42(52-43)24-29(4)26-49-42/h22-23,28-29,33,35-37,45,48H,2,9-21,24-26,44H2,1,3-8H3/b30-22+
HMDB37447	Orientin; 7-O-a-L-Rhamnopyranoside	CC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C3=C(C(O)=C2)C(=O)C=C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O15/c1-8-19(33)21(35)24(38)27(39-8)42-15-6-13(32)17-12(31)5-14(9-2-3-10(29)11(30)4-9)40-25(17)18(15)26-23(37)22(36)20(34)16(7-28)41-26/h2-6,8,16,19-24,26-30,32-38H,7H2,1H3
HMDB32403	6-Methyl-3-hepten-2-one, trans-	CC(C)C\C=C\C(C)=O	InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+
HMDB37444	(S)-Cajaflavanone	CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C2=C1OC(C)(C)C=C2	InChI=1S/C25H26O5/c1-14(2)5-10-17-22(28)21-19(27)13-20(15-6-8-16(26)9-7-15)29-24(21)18-11-12-25(3,4)30-23(17)18/h5-9,11-12,20,26,28H,10,13H2,1-4H3
HMDB41198	Edulisin V	CCC(C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C(\C)=C/C	InChI=1S/C24H28O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h8-13,20-21H,7H2,1-6H3/b14-8-
HMDB37445	(S)-5,7-Dihydroxy-6-prenylflavanone	CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=CC=C1	InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h3-8,10,17,21,23H,9,11H2,1-2H3
HMDB59327	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-28,33-40,44-46,48-50,53,55-60,62,65,67,69-71,74,89-91,96H,5-9,11-13,15-20,29-32,41-43,47,51-52,54,61,63-64,66,68,72-73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,74-70-/t89?,90-,91-/m1/s1
HMDB32805	N-trans-Feruloyloctopamine	COC1=CC(\C=C\C(=O)NCC(O)C2=CC=C(O)C=C2)=CC=C1O	InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+
HMDB32804	N-trans-p-Coumaroyloctopamine	OC(CNC(=O)\C=C\C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C17H17NO4/c19-14-6-1-12(2-7-14)3-10-17(22)18-11-16(21)13-4-8-15(20)9-5-13/h1-10,16,19-21H,11H2,(H,18,22)/b10-3+
HMDB32807	Niazirin	CC1OC(OC2=CC=C(CC#N)C=C2)C(O)C(O)C1O	InChI=1S/C14H17NO5/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-7-15/h2-5,8,11-14,16-18H,6H2,1H3
HMDB32806	p-Hydroxyphenethyl trans-ferulate	COC1=CC(\C=C\C(=O)OCCC2=CC=C(O)C=C2)=CC=C1O	InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
HMDB32801	4-Hydroxybenzyl isothiocyanate; O-a-L-Rhamnopyranoside	CC1OC(OC2=CC=C(CN=C=S)C=C2)C(O)C(O)C1O	InChI=1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3
HMDB32800	Feruloylcholine	COC1=C(O)C=CC(\C=C/C(=O)OCC[N+](C)(C)C)=C1	InChI=1S/C15H21NO4/c1-16(2,3)9-10-20-15(18)8-6-12-5-7-13(17)14(11-12)19-4/h5-8,11H,9-10H2,1-4H3/p+1
HMDB32803	Mandelonitrile rutinoside	CC1OC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H27NO10/c1-9-13(22)15(24)17(26)19(29-9)28-8-12-14(23)16(25)18(27)20(31-12)30-11(7-21)10-5-3-2-4-6-10/h2-6,9,11-20,22-27H,8H2,1H3
HMDB32802	4-Hydroxybenzyl isothiocyanate; O-(4-O-Acetyl-a-L-rhamnopyranoside)	CC1OC(OC2=CC=C(CN=C=S)C=C2)C(O)C(O)C1OC(C)=O	InChI=1S/C16H19NO6S/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-17-8-24/h3-6,9,13-16,19-20H,7H2,1-2H3
HMDB32809	4-Hydroxyphenylacetic acid; Nitrile, O-(tri-O-acetyl-a-L-rhamnopyranoside)	CC1OC(OC2=CC=C(CC#N)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C20H23NO8/c1-11-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(25-11)29-16-7-5-15(6-8-16)9-10-21/h5-8,11,17-20H,9H2,1-4H3
HMDB32808	Niazirinin	CC1OC(OC2=CC=C(CC#N)C=C2)C(O)C(O)C1OC(C)=O	InChI=1S/C16H19NO6/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-8-17/h3-6,9,13-16,19-20H,7H2,1-2H3
HMDB59326	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)84-104-91(96)78-74-70-66-62-58-54-50-48-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,43-44,47-48,51-58,63-64,66-68,70,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,49-50,59-62,65,69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,55-51-,56-52-,57-53-,58-54-,67-63-,68-64-,70-66-/t87?,88-,89-/m1/s1
HMDB09009	PE(18:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,43H,3-10,12,14-16,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,28-26-/t43-/m1/s1
HMDB09008	PE(18:0/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,43H,3-10,12,14-16,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-/t43-/m1/s1
HMDB09007	PE(18:0/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1
HMDB09006	PE(18:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1
HMDB09005	PE(18:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,41H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,24-22-,30-28-/t41-/m1/s1
HMDB09004	PE(18:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,41H,3-4,6,8-10,12,14-16,18,20-21,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,24-22-/t41-/m1/s1
HMDB09003	PE(18:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-,30-28-/t41-/m1/s1
HMDB09002	PE(18:0/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,41H,3-10,12,14-16,18,20-21,23,25-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-/t41-/m1/s1
HMDB09001	PE(18:0/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,41H,3-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b19-17-,24-22-,30-28-/t41-/m1/s1
HMDB09000	PE(18:0/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,41H,3-10,12,14-16,18,20-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-/t41-/m1/s1
HMDB37358	Ranupenin 3-rutinoside	COC1=CC(O)=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=C1O)C1=CC(O)=C(O)C=C1	InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(43-14)45-26-19(35)15-12(31)6-13(40-2)18(34)25(15)44-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3
HMDB37359	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-Arabinoside	COC1=C2C(=O)C(OC3OCC(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C21H20O11/c1-29-13-5-9(22)6-14-15(13)17(27)20(32-21-18(28)16(26)12(25)7-30-21)19(31-14)8-2-3-10(23)11(24)4-8/h2-6,12,16,18,21-26,28H,7H2,1H3
HMDB37356	Quercetin 4',7-diglucoside	OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(O)=C(O3)C2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2
HMDB37357	3,3',4',5,5',8-Hexahydroxyflavone	OC1=CC(=CC(O)=C1O)C1=C(O)C(=O)C2=C(O)C=CC(O)=C2O1	InChI=1S/C15H10O8/c16-6-1-2-7(17)15-10(6)12(21)13(22)14(23-15)5-3-8(18)11(20)9(19)4-5/h1-4,16-20,22H
HMDB37354	3',4'-Di-O-methylquercetin	COC1=C(OC)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C17H14O7/c1-22-11-4-3-8(5-12(11)23-2)17-16(21)15(20)14-10(19)6-9(18)7-13(14)24-17/h3-7,18-19,21H,1-2H3
HMDB37355	Quercetin 3-arabinoside 7-glucoside	OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OCC(O)C(O)C2O)=C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)39-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-25-21(36)17(32)13(31)7-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2
HMDB37352	Caryatin glucoside	COC1=C2C(=O)C(OC)=C(OC2=CC(O)=C1)C1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C=C1.COC1=C2C(=O)C(OC)=C(OC2=CC(O)=C1)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1	InChI=1S/2C23H24O12/c1-31-13-6-10(25)7-14-16(13)18(28)22(32-2)21(33-14)9-3-4-12(11(26)5-9)34-23-20(30)19(29)17(27)15(8-24)35-23;1-31-13-6-10(25)7-14-16(13)18(28)22(32-2)21(33-14)9-3-4-11(26)12(5-9)34-23-20(30)19(29)17(27)15(8-24)35-23/h2*3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3
HMDB37353	Clovin	CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3
HMDB37350	Menthoside	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(OC(=O)\C=C\C4=CC=C(O)C(O)=C4)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C36H36O17/c1-15-29(42)31(44)33(46)35(49-15)48-14-26-30(43)32(45)34(47)36(53-26)51-19-11-22(39)28-23(40)13-24(52-25(28)12-19)17-4-6-18(7-5-17)50-27(41)9-3-16-2-8-20(37)21(38)10-16/h2-13,15,26,29-39,42-47H,14H2,1H3/b9-3+
HMDB37351	Caryatin	COC1=C2C(=O)C(OC)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3
HMDB00600	Galactosylhydroxylysine	NCCCC[C@H](N(O)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C12H24N2O8/c13-4-2-1-3-6(12(19)20)14(21)11-10(18)9(17)8(16)7(5-15)22-11/h6-11,15-18,21H,1-5,13H2,(H,19,20)/t6-,7+,8-,9-,10+,11?/m0/s1
HMDB11588	MG(24:0/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h26,28-29H,2-25H2,1H3/t26-/m0/s1
HMDB49809	TG(18:1(9Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34-35,38,60H,4-16,18-19,21-25,28,30-33,36-37,39-59H2,1-3H3/b20-17-,29-26-,34-27-,38-35-
HMDB11587	MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h3-4,6-7,9-10,12-13,15-16,18-19,24,26-27H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t24-/m0/s1
HMDB29726	2-Vinylthiophene	C=CC1=CC=CS1	InChI=1S/C6H6S/c1-2-6-4-3-5-7-6/h2-5H,1H2
HMDB29727	5-Ethyl-2,3-dimethylpyrazine	CCC1=CN=C(C)C(C)=N1	InChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
HMDB29720	2-Thiophenethiol	SC1=CC=CS1	InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H
HMDB29721	2,3,5-Trimethylfuran	CC1=CC(C)=C(C)O1	InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
HMDB29722	1,2,5-Trimethyl-1H-pyrrole	CN1C(C)=CC=C1C	InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3
HMDB11586	MG(22:5(7Z,10Z,13Z,16Z,19Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h3-4,6-7,9-10,12-13,15-16,24,26-27H,2,5,8,11,14,17-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t24-/m0/s1
HMDB29728	2-Ethyl-5-methylfuran	CCC1=CC=C(C)O1	InChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
HMDB29729	5-Ethyl-2-methylpyridine	CCC1=CN=C(C)C=C1	InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
HMDB11584	MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h6-7,9-10,12-13,15-16,24,26-27H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-/t24-/m0/s1
HMDB42971	TG(15:0/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h24-25,27-28,33,36,49H,4-23,26,29-32,34-35,37-48H2,1-3H3/b25-24-,28-27-,36-33-
HMDB14683	Amoxapine	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1	InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
HMDB14682	Benazepril	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O	InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
HMDB14681	Vincristine	[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC	InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
HMDB14680	Nortriptyline	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
HMDB14687	Desoximetasone	[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1
HMDB11581	MG(22:0/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3/t24-/m0/s1
HMDB14685	Pyridostigmine	CN(C)C(=O)OC1=C[N+](C)=CC=C1	InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
HMDB14684	Fluorouracil	FC1=CNC(=O)NC1=O	InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
HMDB14689	Zafirlukast	COC1=C(CC2=CN(C)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C	InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
HMDB06294	16-hydroxy hexadecanoic acid	OCCCCCCCCCCCCCCCC([O-])=O	InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)/p-1
HMDB49801	TG(18:1(9Z)/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h26-27,32-33,58H,4-25,28-31,34-57H2,1-3H3/b32-26-,33-27-
HMDB32430	4-(Methylthio)-2-pentanone	CSC(C)CC(C)=O	InChI=1S/C6H12OS/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3
HMDB32431	5-Methyl-2-thiophenecarboxaldehyde	CC1=CC=C(S1)C=O	InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
HMDB49807	TG(18:1(9Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,26-27,32-33,38,41,58H,4-16,18-19,21-25,28-31,34-37,39-40,42-57H2,1-3H3/b20-17-,32-26-,33-27-,41-38-
HMDB49806	TG(18:1(9Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,33-34,59H,4-19,21-22,24-26,28,30-32,35-58H2,1-3H3/b23-20-,33-27-,34-29-
HMDB49805	TG(18:1(9Z)/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,38,64H,4-24,26,29-37,39-63H2,1-3H3/b28-25-,38-27-
HMDB37978	Cyanidin 7-glucoside	OCC1OC(OC2=CC(O)=C3C=C(O)C(=[O+]C3=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
HMDB37979	Cyanidin 3-(disinapoylsophoroside) 5-glucoside	COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@@H](OC4=C([O+]=C5C=C(O)C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5=C4)C4=CC(O)=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC(OC)=C(O)C(OC)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O	InChI=1S/C55H60O29/c1-72-31-11-22(12-32(73-2)41(31)62)5-9-39(60)76-20-37-44(65)47(68)50(71)54(82-37)84-52-48(69)45(66)38(21-77-40(61)10-6-23-13-33(74-3)42(63)34(14-23)75-4)83-55(52)80-35-18-26-29(78-51(35)24-7-8-27(58)28(59)15-24)16-25(57)17-30(26)79-53-49(70)46(67)43(64)36(19-56)81-53/h5-18,36-38,43-50,52-56,64-71H,19-21H2,1-4H3,(H4-,57,58,59,60,61,62,63)/p+1/t36-,37-,38-,43-,44-,45-,46+,47+,48+,49-,50-,52-,53-,54+,55+/m1/s1
HMDB37972	Cyanidin 3-arabinoside	[H]OC1=C([H])C2=C(C([H])=C(O[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]2)C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C(O[H])=C1[H]	InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18+,20-/m0/s1
HMDB37973	Cyanidin 3,3',5-triglucoside	OCC1OC(OC2=CC(=CC=C2O)C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)49-15-5-11(37)4-14-12(15)6-17(51-33-29(47)26(44)23(41)20(9-36)54-33)30(48-14)10-1-2-13(38)16(3-10)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-36,39-47H,7-9H2,(H-,37,38)/p+1
HMDB37970	Eujambolin	COC1=C(O)C=C(C=C1O)C1=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C24H24O13/c1-8-20(35-9(2)25)18(31)19(32)24(34-8)37-23-17(30)16-12(27)6-11(26)7-15(16)36-21(23)10-4-13(28)22(33-3)14(29)5-10/h4-8,18-20,24,26-29,31-32H,1-3H3
HMDB37971	Cyanidin 3-(4-acetylglucoside)	CC(=O)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C23H22O12/c1-9(25)32-22-18(8-24)35-23(20(31)19(22)30)34-17-7-12-14(28)5-11(26)6-16(12)33-21(17)10-2-3-13(27)15(29)4-10/h2-7,18-20,22-24,30-31H,8H2,1H3,(H3-,26,27,28,29)/p+1
HMDB37976	Cyanidin 3-sambubioside	OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1
HMDB37977	Cyanidin 3-galactoside	OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1
HMDB37974	Cyanidin 3-(6''-malonylglucoside)	OC1C(COC(=O)CC(O)=O)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1
HMDB37975	Cyanidin 3-rhamnoside	CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25)/p+1
HMDB36001	Epoxyganoderiol A	CC(CCC1OC1(C)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C30H48O4/c1-18(8-9-24-30(7,17-31)34-24)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,21-22,24,31-32H,8-17H2,1-7H3
HMDB36000	Epoxyganoderiol B	CC(CCC1OC1(C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C30H46O3/c1-19(8-11-25-30(7,18-31)33-25)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31H,8,10-12,14-18H2,1-7H3
HMDB29182	4'-O-Methyl-(-)-epicatechin-5-O-sulphate	COC1=CC=C(C=C1O)[C@H]1OC2=C(C[C@H]1O)C(=CC(O)=C2)S([O-])=O	InChI=1S/C16H16O7S/c1-22-13-3-2-8(4-11(13)18)16-12(19)7-10-14(23-16)5-9(17)6-15(10)24(20)21/h2-6,12,16-19H,7H2,1H3,(H,20,21)/p-1/t12-,16-/m1/s1
HMDB36002	Ganoderal B	CC(CC\C=C(/C)C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,23-24,32H,8,10-17H2,1-7H3/b19-9+
HMDB13488	PGP(16:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C38H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39H,3-12,17-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b15-13-,16-14-/t35-,36+/m0/s1
HMDB13489	PGP(16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,37-38,41H,3-13,15,17-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b16-14-/t37-,38+/m0/s1
HMDB36007	Ursonic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O	InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)
HMDB36006	Xanthopurpurin	OC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1)C2=O	InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
HMDB13484	PGP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,41-42,45H,3-10,12,14-16,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1
HMDB13485	PGP(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,41-42,45H,3-4,6,8-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
HMDB13486	PGP(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,41-42,45H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1
HMDB13487	PGP(16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C38H74O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,35-36,39H,3-12,14,16-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b15-13-/t35-,36+/m0/s1
HMDB13480	PGP(16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,39-40,43H,3-16,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b18-17-,22-20-,28-26-/t39-,40+/m0/s1
HMDB13481	PGP(16:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,39-40,43H,3-10,12,14-16,19,21,23-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,18-17-,22-20-/t39-,40+/m0/s1
HMDB13482	PGP(16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,39-40,43H,3-10,12,14-16,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,18-17-,22-20-,28-26-/t39-,40+/m0/s1
HMDB13483	PGP(16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41-42,45H,3-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
HMDB46415	TG(22:0/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,70H,4-24,26-27,29-69H2,1-3H3/b28-25-
HMDB46414	TG(22:0/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h26,29,68H,4-25,27-28,30-67H2,1-3H3/b29-26-
HMDB46417	TG(22:0/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,44,47,64H,4-17,19-20,22-26,28-37,39-43,45-46,48-63H2,1-3H3/b21-18-,38-27-,47-44-
HMDB46416	TG(22:0/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,39,65H,4-20,22-23,25-29,31-38,40-64H2,1-3H3/b24-21-,39-30-
HMDB46411	TG(22:0/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h27,38,64H,4-26,28-37,39-63H2,1-3H3/b38-27-
HMDB46410	TG(22:0/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-
HMDB46413	TG(22:0/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,40,43,49,52,66H,4-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b30-27-,43-40-,52-49-
HMDB46412	TG(22:0/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,66H,4-26,28-29,31-65H2,1-3H3/b30-27-
HMDB46419	TG(22:0/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,66H,4-17,19-20,22-26,28-29,31-39,41-42,44-65H2,1-3H3/b21-18-,30-27-,43-40-
HMDB46418	TG(22:0/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,65H,4-14,16-17,19-23,25-26,28-64H2,1-3H3/b18-15-,27-24-
HMDB35520	6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 9-O-[b-D-Xylopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3/b6-5+
HMDB52403	TG(18:2(9Z,12Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-31,34,37,42,45,55H,4-15,17-18,21-22,25,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,31-27-,37-34-,45-42-
HMDB52402	TG(18:2(9Z,12Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-31,34,37,55H,4-15,17-18,21-22,25,28,32-33,35-36,38-54H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,31-27-,37-34-
HMDB52401	TG(18:2(9Z,12Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,31,55H,4-15,17-18,21-22,25,28-30,32-54H2,1-3H3/b19-16-,23-20-,26-24-,31-27-
HMDB35527	Glycyrrhizaflavonol A	CC1(C)OC2=C(CC1O)C=C(C=C2)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C20H18O7/c1-20(2)15(23)6-10-5-9(3-4-13(10)27-20)19-18(25)17(24)16-12(22)7-11(21)8-14(16)26-19/h3-5,7-8,15,21-23,25H,6H2,1-2H3
HMDB35526	Glycyrrhizaisoflavone C	COC1=C(C(O)=CC2=C1CCC(C)(C)O2)C1=COC2=CC(O)=CC=C2C1=O	InChI=1S/C21H20O6/c1-21(2)7-6-13-17(27-21)9-15(23)18(20(13)25-3)14-10-26-16-8-11(22)4-5-12(16)19(14)24/h4-5,8-10,22-23H,6-7H2,1-3H3
HMDB59367	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-40,45-52,57-64,70,74,91-93,98H,5-8,10,14,17-20,29-32,41-44,53-56,65-69,71-73,75-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-/t91?,92-,93-/m1/s1
HMDB59366	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,12-13,16,21-28,33-40,45-52,57-64,70-71,74-75,91-93,98H,5-8,10-11,14-15,17-20,29-32,41-44,53-56,65-69,72-73,76-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,75-71-/t91?,92-,93-/m1/s1
HMDB59365	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,44-46,48-50,53,55-60,62,65,68-69,72,89-91,96H,5-8,10,12,14,16-20,29-32,41-43,47,51-52,54,61,63-64,66-67,70-71,73-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,72-68-/t89?,90-,91-/m1/s1
HMDB59364	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,67,71,88-90,95H,5-8,10,12,14,16-20,24,29-31,36,41-43,51-53,56,60,62-66,68-70,72-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,71-67-/t88?,89-,90-/m1/s1
HMDB59363	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,53-54,56-58,60,66,70,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-52,55,59,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB59362	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,66,70,87-89,94H,5-8,10,12,14,16-20,24,29-31,36,40-42,49-52,55,59,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB00317	2-Hydroxy-3-methylpentanoic acid	CC[C@@H](C)[C@@H](O)C(O)=O	InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
HMDB59361	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-38,42-47,52-56,58,64,68,85-87,92H,5-8,10,12,14,16-20,24,29-31,39-41,48-51,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB59360	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,66,70,87-89,94H,5-8,10,12,14,16-20,24,28-32,36,40-42,49-52,55,59,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB46318	TG(22:0/16:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,57H,4-13,15-16,18-22,24-25,27-56H2,1-3H3/b17-14-,26-23-
HMDB46319	TG(22:0/16:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,58H,4-16,18-19,21-25,27,29-32,34-35,37-57H2,1-3H3/b20-17-,28-26-,36-33-
HMDB48562	TG(16:1(9Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,35,38,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,38-35-
HMDB48560	TG(16:1(9Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-
HMDB59369	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-56,58,63-64,67-68,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,57,59-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB48567	TG(16:1(9Z)/14:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,46H,4-14,16-17,21,24-45H2,1-3H3/b18-15-,22-19-,23-20-
HMDB59368	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-40,45-52,57-64,70-71,74-75,91-93,98H,5-8,10,14,17-20,29-32,41-44,53-56,65-69,72-73,76-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,75-71-/t91?,92-,93-/m1/s1
HMDB48566	TG(16:1(9Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-
HMDB43531	TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34-36,38,42,45,57H,4-15,18,21-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-
HMDB14919	Polymyxin B Sulfate	CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCN)NC1=O)C(C)O	InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)
HMDB14918	Phenelzine	NNCCC1=CC=CC=C1	InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
HMDB48565	TG(16:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,35-33-,43-40-,52-49-
HMDB43530	TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,34,36,42,45,57H,4-15,18,21-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-34-,45-42-
HMDB14913	Tirofiban	CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O	InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
HMDB14912	Hydroflumethiazide	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F	InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
HMDB14911	Etoposide	[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O	InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
HMDB14910	Malathion	CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC	InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
HMDB14917	Nalidixic Acid	CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2	InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
HMDB14916	Roxithromycin	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
HMDB14915	Propiomazine	CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1	InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3
HMDB14914	Oxcarbazepine	NC(=O)N1C2=CC=CC=C2CC(=O)C2=CC=CC=C12	InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
HMDB43532	TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34-36,38,42,44-45,47,57H,4-15,18,21-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-
HMDB46314	TG(22:0/16:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-
HMDB43535	TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,40,43,55H,4-6,8-9,11-15,18,21-24,29-30,35-39,41-42,44-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,43-40-
HMDB46315	TG(22:0/16:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-
HMDB48569	TG(16:1(9Z)/14:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-25,48H,4-14,16-17,19,21-22,26-47H2,1-3H3/b18-15-,23-20-,25-24-
HMDB43534	TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,37-38,41,53H,4-7,9-10,12-15,18,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-
HMDB48568	TG(16:1(9Z)/14:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15,18-20,22-23,48H,4-14,16-17,21,24-47H2,1-3H3/b18-15-,22-19-,23-20-
HMDB43537	TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34-36,38,42,45,57H,4-6,8-9,11-15,18,21-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-
HMDB43536	TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,39-40,42-43,55H,4-6,8-9,11-15,18,21-24,29-30,35-38,41,44-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB43539	TG(15:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,38,41,54H,4-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,32-30-,41-38-
HMDB43538	TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34-36,38,42,44-45,47,57H,4-6,8-9,11-15,18,21-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-
HMDB43795	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,36-37,39,43,46,55H,4-6,9,12-15,18,21-24,28,32-33,35,38,40-42,44-45,47-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,46-43-
HMDB43794	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37,43,46,55H,4-6,9,12-15,18,21-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB49212	TG(18:1(11Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,34,60H,4-7,9-10,12-16,18-19,22-23,25,27-33,35-59H2,1-3H3/b11-8-,20-17-,24-21-,34-26-
HMDB49210	TG(18:1(11Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,36,42,45,64H,4-16,18-19,22-23,25,27-28,30-33,35,37-41,43-44,46-63H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,45-42-
HMDB11244	PC(P-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,36,39,43H,6-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,39-36-/t43-/m1/s1
HMDB11245	PC(P-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,36,39,43H,6-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,29-27-,39-36-/t43-/m1/s1
HMDB11246	PC(P-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,36,39,43H,6-8,10,12-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,39-36-
HMDB11247	PC(P-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,36,39,43H,6-8,10,12-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,39-36-/t43-/m1/s1
HMDB11240	PC(P-18:0/16:1(9Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h17,19,34,37,41H,6-16,18,20-33,35-36,38-40H2,1-5H3/b19-17-,37-34-/t41-/m1/s1
HMDB11241	PC(P-18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-/t43-/m1/s1
HMDB11242	PC(P-18:0/18:1(11Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,36,39,43H,6-16,18,20-35,37-38,40-42H2,1-5H3/b19-17-,39-36-/t43-/m1/s1
HMDB11243	PC(P-18:0/18:1(9Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-/t43-/m1/s1
HMDB49216	TG(18:1(11Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,36,42,45,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35,37-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,45-42-
HMDB11248	PC(P-18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h38,41,45H,6-37,39-40,42-44H2,1-5H3/b41-38-/t45-/m1/s1
HMDB11249	PC(P-18:0/20:1(11Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38-/t45-/m1/s1
HMDB52370	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB48848	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB48849	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,40-41,43-44,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB05050	15H-11,12-EETA	CCCCC[C@H](O)\C=C\C1OC1C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1
HMDB05051	Tsuzuic acid	CCCCCCCCC\C=C/CCC(O)=O	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-11H,2-9,12-13H2,1H3,(H,15,16)/b11-10-
HMDB48843	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,34,37,43,46,58H,4-15,18,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,37-34-,46-43-
HMDB48844	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,34,36-37,39,43,46,58H,4-15,18,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB48845	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-15,18,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB05056	Enterodiol	OC[C@H](CC1=CC(O)=CC=C1)[C@H](CO)CC1=CC(O)=CC=C1	InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1
HMDB48847	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,35,38-39,42,54H,4-7,9-10,12-15,18,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB44920	TG(18:0/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24-25,28,32,34,40,43,56H,4-20,22-23,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b24-21-,28-25-,34-32-,43-40-
HMDB54567	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-8,10-11,13-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB03638	Cadmium	[Cd++]	InChI=1S/Cd/q+2
HMDB10117	PIP2(20:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-19,21,39,42-47,50-52H,3-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10116	PIP2(20:1(11Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h14,16-17,19,39,42-47,50-52H,3-13,15,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10115	PIP2(20:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-18,37,40-45,48-50H,3-16,19-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10114	PIP2(20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,18,21,39,42-47,50-52H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10113	PIP2(18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13,17-20,37,40-45,48-50H,3-4,6,8-10,12,14-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10112	PIP2(18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13-14,16-17,19,37,40-45,48-50H,3-4,6,8-10,12,15,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,16-14-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10111	PIP2(18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13,17,19,37,40-45,48-50H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10110	PIP2(18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-20,23,25,37,40-45,48-50H,3-10,12,14-16,21-22,24,26-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,19-17-,20-18-,25-23-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10119	PIP2(20:2(11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,37,40-45,48-50H,3-10,12,14-16,19-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10118	PIP2(20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,17-19,21,39,42-47,50-52H,3-11,13,15-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB37536	Quercetin 3-lathyroside	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2
HMDB37537	Quercetin 3-glucosyl-(1-&gt;2)-galactoside	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2
HMDB52465	TG(18:2(9Z,12Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,31-32,37,40,57H,4-8,10-11,13-17,19,22,24-26,28,30,33-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,23-20-,31-27-,32-29-,40-37-
HMDB04863	Ganglioside GM1 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C79H143N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(93)82-50(51(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-104-75-67(100)65(98)69(56(45-86)107-75)109-77-68(101)73(113-79(78(102)103)41-52(91)59(80-48(3)88)72(112-79)61(94)53(92)42-83)70(57(46-87)108-77)110-74-60(81-49(4)89)71(63(96)55(44-85)105-74)111-76-66(99)64(97)62(95)54(43-84)106-76/h37,39,50-57,59-77,83-87,90-92,94-101H,5-36,38,40-47H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,102,103)/b39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61-,62-,63-,64-,65+,66+,67?,68+,69+,70-,71+,72?,73+,74-,75+,76-,77-,79-/m0/s1
HMDB04860	Ganglioside GM1 (d18:1/26:1(17Z)))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63-,64-,65-,66-,67+,68+,69?,70+,71+,72-,73+,74?,75+,76-,77+,78-,79-,81-/m0/s1
HMDB04861	Ganglioside GM1 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C81H147N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h39,41,52-59,61-79,85-89,92-94,96-103H,5-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63-,64-,65-,66-,67+,68+,69?,70+,71+,72-,73+,74?,75+,76-,77+,78-,79-,81-/m0/s1
HMDB04866	Lactosylceramide (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC	InChI=1S/C42H79NO13/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-31(46)30(43-34(47)26-24-22-20-17-12-10-8-6-4-2)29-53-41-39(52)37(50)40(33(28-45)55-41)56-42-38(51)36(49)35(48)32(27-44)54-42/h23,25,30-33,35-42,44-46,48-52H,3-22,24,26-29H2,1-2H3,(H,43,47)/b25-23+/t30-,31+,32+,33+,35-,36-,37+,38+,39?,40+,41+,42-/m0/s1
HMDB52463	TG(18:2(9Z,12Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,32,34-35,39,42,48,51,61H,4-15,17-18,20,22-23,26-27,29,31,33,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,35-30-,42-39-,51-48-
HMDB04865	Ganglioside GM1 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C80H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(94)83-51(52(91)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-105-76-68(101)66(99)70(57(46-87)108-76)110-78-69(102)74(114-80(79(103)104)42-53(92)60(81-49(3)89)73(113-80)62(95)54(93)43-84)71(58(47-88)109-78)111-75-61(82-50(4)90)72(64(97)56(45-86)106-75)112-77-67(100)65(98)63(96)55(44-85)107-77/h38,40,51-58,60-78,84-88,91-93,95-102H,5-37,39,41-48H2,1-4H3,(H,81,89)(H,82,90)(H,83,94)(H,103,104)/b40-38+/t51-,52+,53-,54-,55+,56+,57+,58+,60+,61+,62-,63-,64-,65-,66+,67+,68?,69+,70+,71-,72+,73?,74+,75-,76+,77-,78-,80-/m0/s1
HMDB52469	TG(18:2(9Z,12Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,32,34-35,39,42,48,51,61H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31,33,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,35-30-,42-39-,51-48-
HMDB52468	TG(18:2(9Z,12Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,32,34-35,39,42,61H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31,33,36-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,35-30-,42-39-
HMDB07984	PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,42H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-/t42-/m1/s1
HMDB07985	PC(16:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
HMDB07986	PC(16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,44H,6-19,22-43H2,1-5H3/b21-20-/t44-/m1/s1
HMDB07987	PC(16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,44H,6-13,15,17-19,22-43H2,1-5H3/b16-14-,21-20-/t44-/m1/s1
HMDB07980	PC(16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,23,25,29,31,42H,6-19,22,24,26-28,30,32-41H2,1-5H3/b21-20-,25-23-,31-29-/t42-/m1/s1
HMDB07981	PC(16:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,42H,6-13,15,17-19,22,24,26-41H2,1-5H3/b16-14-,21-20-,25-23-/t42-/m1/s1
HMDB07982	PC(16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1
HMDB07983	PC(16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,42H,6-7,9,11-13,15,17-19,22,24,26-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-/t42-/m1/s1
HMDB07988	PC(16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27,29,44H,6-13,15,17-19,22,25-26,28,30-43H2,1-5H3/b16-14-,21-20-,24-23-,29-27-/t44-/m1/s1
HMDB07989	PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27,29,33,35,44H,6-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
HMDB52413	TG(18:2(9Z,12Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,28,30,53H,4-12,14-15,17-19,21,24,26-27,29,31-52H2,1-3H3/b16-13-,23-20-,25-22-,30-28-
HMDB51284	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34-35,37,43,46,60H,4-8,10-11,13-17,19-20,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB51285	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36-37,39,45,48,62H,4-8,10-11,13-17,19-20,22-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,39-37-,48-45-
HMDB51286	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-33,35,41,44,57H,4-8,10-11,13-17,19,22,24,26,30,34,36-40,42-43,45-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,44-41-
HMDB51287	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-32,34,36,39-40,43,56H,4-8,10-11,13-16,19,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB51280	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-6,8-9,11-15,18,21-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB51281	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-6,8-9,11-15,18,21-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB51282	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB51283	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-36,41-42,44-45,58H,4-8,10-11,13-17,19-20,22-24,30-31,37-40,43,46-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB52415	TG(18:2(9Z,12Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,38,41,54H,4-15,17-18,21-22,24,26,29,32,34-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,33-31-,41-38-
HMDB51288	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,33,35,41,44,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB51289	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-36,42,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,37-41,43-44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-
HMDB07360	DG(20:0/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16,37,40H,3-13,15,17-36H2,1-2H3/b16-14-/t37-/m0/s1
HMDB07361	DG(20:0/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1
HMDB07362	DG(20:0/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16,39,42H,3-13,15,17-38H2,1-2H3/b16-14-/t39-/m0/s1
HMDB07363	DG(20:0/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,39,42H,3-17,19-20,22-38H2,1-2H3/b21-18-/t39-/m0/s1
HMDB07364	DG(20:0/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,39,42H,3-11,13,15-17,19-20,22-38H2,1-2H3/b14-12-,21-18-/t39-/m0/s1
HMDB07365	DG(20:0/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,26,28,39,42H,3-11,13,15-17,19-20,22-25,27,29-38H2,1-2H3/b14-12-,21-18-,28-26-/t39-/m0/s1
HMDB07366	DG(20:0/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,39,42H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3/b8-6-,14-12-,21-18-/t39-/m0/s1
HMDB07367	DG(20:0/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,26,28,39,42H,3-5,7,9-11,13,15-17,19-20,22-25,27,29-38H2,1-2H3/b8-6-,14-12-,21-18-,28-26-/t39-/m0/s1
HMDB07368	DG(20:0/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1
HMDB07369	DG(20:0/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,41,44H,3-17,19,21-40H2,1-2H3/b20-18-/t41-/m0/s1
HMDB56399	CL(16:0/16:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h28,32,69-71,76H,5-27,29-31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b32-28-/t69?,70-,71-/m1/s1
HMDB56398	CL(16:0/16:0/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C77H150O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h71-73,78H,5-70H2,1-4H3,(H,83,84)(H,85,86)/t71?,72-,73-/m1/s1
HMDB56393	CL(16:0/16:0/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,33-34,36,40,48,52,71-73,78H,5-20,22-24,26-32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1
HMDB56392	CL(16:0/16:0/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C76H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,29,34-35,70-72,77H,5-24,26-28,30-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,35-34-/t70?,71-,72-/m1/s1
HMDB56391	CL(16:0/16:0/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h33-34,69-71,76H,5-32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b34-33-/t69?,70-,71-/m1/s1
HMDB56390	CL(16:0/16:0/16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,29,69-71,76H,5-24,26-28,30-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-/t69?,70-,71-/m1/s1
HMDB56397	CL(16:0/16:0/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H146O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h69-71,76H,5-68H2,1-4H3,(H,81,82)(H,83,84)/t69?,70-,71-/m1/s1
HMDB56396	CL(16:0/16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,26-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB56395	CL(16:0/16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,26-32,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1
HMDB56394	CL(16:0/16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,26-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB34186	Morusignin B	CC(C)=CCC1=C(O)C=C2OC3=C(C(O)=CC=C3O)C(=O)C2=C1O	InChI=1S/C18H16O6/c1-8(2)3-4-9-12(21)7-13-15(16(9)22)17(23)14-10(19)5-6-11(20)18(14)24-13/h3,5-7,19-22H,4H2,1-2H3
HMDB34187	Melongoside N	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3
HMDB34184	Licorisoflavan A	COC1=C(CC=C(C)C)C(OC)=C2CC(COC2=C1)C1=C(O)C(CC=C(C)C)=C(O)C=C1	InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3
HMDB34182	1,5,8-Trihydroxy-3-methyl-2-prenylxanthone	COC1=C(CC=C(C)C)C(O)=C2C(=O)C3=C(OC2=C1)C(O)=CC=C3O	InChI=1S/C19H18O6/c1-9(2)4-5-10-13(24-3)8-14-16(17(10)22)18(23)15-11(20)6-7-12(21)19(15)25-14/h4,6-8,20-22H,5H2,1-3H3
HMDB34183	Licoricidin	COC1=C2CC(COC2=CC(O)=C1CC=C(C)C)C1=C(O)C(CC=C(C)C)=C(O)C=C1	InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3
HMDB05809	Eugenol	COC1=C(O)C=CC(CC=C)=C1	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
HMDB05808	Formononetin	COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O	InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
HMDB34180	Protohypericin	CC1=CC2=C(C(O)=C1)C(=O)C1=C3C(=C(O)C=C1O)C1=C(O)C=C(O)C4=C1C(C1=C(C(O)=CC(C)=C1)C4=O)=C23	InChI=1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,31-36H,1-2H3
HMDB05802	Isoeugenol	COC1=CC(\C=C\C)=CC=C1O	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
HMDB05801	Kaempferol	OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
HMDB05800	Luteolin	OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C(O)=C1	InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
HMDB05807	Gallic acid	OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
HMDB05806	Gamma-terpinene	CC(C)C1=CCC(C)=CC1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
HMDB05805	p-Cymene	CC(C)C1=CC=C(C)C=C1	InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
HMDB12530	11-Hydroxyeicosatetraenoate glyceryl ester	CCCCC\C=C/C=C/[C@@H](O)C\C=C/C\C=C/CCCC(=O)OC(CO)CO	InChI=1S/C23H38O5/c1-2-3-4-5-7-10-13-16-21(26)17-14-11-8-6-9-12-15-18-23(27)28-22(19-24)20-25/h6-7,9-11,13-14,16,21-22,24-26H,2-5,8,12,15,17-20H2,1H3/b9-6-,10-7-,14-11-,16-13+/t21-/m1/s1
HMDB28848	Glycyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NCC(O)=O	InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)
HMDB53419	TG(20:2n6/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,58H,4-13,15-16,18-22,24,27,29-57H2,1-3H3/b17-14-,26-23-,28-25-
HMDB53418	TG(20:2n6/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,39,42,48,51,61H,4-6,8-9,11-14,17,20-23,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB53417	TG(20:2n6/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,39,42,61H,4-6,8-9,11-14,17,20-23,30-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,42-39-
HMDB53416	TG(20:2n6/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34,37,43,46,59H,4-6,8-9,11-14,17,20-23,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,37-34-,46-43-
HMDB53415	TG(20:2n6/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34,37,59H,4-6,8-9,11-14,17,20-23,30-33,35-36,38-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,37-34-
HMDB53414	TG(20:2n6/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,37,40,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32-36,38-39,41-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,40-37-
HMDB53413	TG(20:2n6/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-
HMDB53412	TG(20:2n6/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,39,42,48,51,61H,4-14,17,20-23,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB53411	TG(20:2n6/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,39,42,61H,4-14,17,20-23,30-31,33,35-38,40-41,43-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,42-39-
HMDB53410	TG(20:2n6/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,61H,4-14,17,20-23,30-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-
HMDB55150	TG(18:3(9Z,12Z,15Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,52H,4-6,9,12-15,18,21-23,27,30,32-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-
HMDB55151	TG(18:3(9Z,12Z,15Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,36,39,52H,4-6,9,12-15,18,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-
HMDB55152	TG(18:3(9Z,12Z,15Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,36,54H,4-6,9,12-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-
HMDB55154	TG(18:3(9Z,12Z,15Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,51H,4-7,9-10,12-16,18-19,21-24,26,28-50H2,1-3H3/b11-8-,20-17-,27-25-
HMDB51869	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,34,36-37,42,45,63H,4-7,9-10,12-16,18-19,22-23,27,31-33,35,38-41,43-44,46-62H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,37-30-,45-42-
HMDB55156	TG(18:3(9Z,12Z,15Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32,34,51H,4-6,9,12-15,18,21-24,29-31,33,35-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-32-
HMDB55157	TG(18:3(9Z,12Z,15Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,53H,4-6,9,12-15,18,21-24,28,31,33-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-
HMDB55158	TG(18:3(9Z,12Z,15Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,37,40,53H,4-6,9,12-15,18,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,40-37-
HMDB55159	TG(18:3(9Z,12Z,15Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37,55H,4-6,9,12-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-
HMDB34188	(R)-Glabridin	CC1(C)OC2=CC=C3CC(COC3=C2C=C1)C1=CC=C(O)C=C1O	InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3
HMDB34189	Taccagenin	CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(CO)(CO)O1	InChI=1S/C27H42O5/c1-16-23-22(31-27(16)11-10-26(14-28,15-29)32-27)13-21-19-5-4-17-12-18(30)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3
HMDB54827	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,8-9,11-15,22-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB54826	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37-38,43-44,46-47,66H,4-6,8-9,11-15,22-24,31-33,36,39-42,45,48-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB54825	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,38,41-42,45,47,50,64H,4-8,10-11,13-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB54824	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,38,41-42,45,64H,4-8,10-11,13-15,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-
HMDB54823	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,40,42-43,45,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-
HMDB54822	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,40,43,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-
HMDB54821	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-15,22-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB54820	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-35,37-38,43-44,46-47,66H,4-15,22-24,31-33,36,39-42,45,48-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB28846	Glycyl-Lysine	NCCCCC(N)C(=O)NCC(O)=O	InChI=1S/C8H17N3O3/c9-4-2-1-3-6(10)8(14)11-5-7(12)13/h6H,1-5,9-10H2,(H,11,14)(H,12,13)
HMDB54829	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,66H,4-15,22-24,31-33,40-42,49-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB54828	TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40,43,63H,4-15,18,21-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-
HMDB28847	Glycyl-Methionine	CSCCC(N)C(=O)NCC(O)=O	InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)
HMDB42187	TG(14:0/20:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB06578	Chitotriose	N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1N)[C@H](O)CO	InChI=1S/C18H35N3O13/c19-5(1-22)11(27)15(6(26)2-23)33-18-10(21)14(30)16(8(4-25)32-18)34-17-9(20)13(29)12(28)7(3-24)31-17/h1,5-18,23-30H,2-4,19-21H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-/m0/s1
HMDB06579	3-Sialyl Lewis	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)54-25(15(42)7-36)24(12(5-34)32-10(2)38)53-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
HMDB42186	TG(14:0/20:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB06576	Lacto-N-fucopentaose III	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)57-27-15(33-9(2)39)29(54-14(7-38)26(27)56-31-23(49)21(47)18(44)12(5-36)52-31)58-28-19(45)13(6-37)53-32(24(28)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,31-,32-/m0/s1
HMDB06577	Lacto-N-fucopentaose-2	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)56-26-14(7-38)54-29(15(33-9(2)39)27(26)57-31-23(49)21(47)18(44)12(5-36)52-31)58-28-19(45)13(6-37)53-32(24(28)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,31-,32-/m0/s1
HMDB06575	Lacto-N-biose I	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1
HMDB09241	PE(20:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,34,36,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,30-28-,36-34-/t45-/m1/s1
HMDB09240	PE(20:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,30-28-/t45-/m1/s1
HMDB09243	PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,34,36,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,30-28-,36-34-/t45-/m1/s1
HMDB09242	PE(20:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,30-28-/t45-/m1/s1
HMDB09245	PE(20:0/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,47H,3-16,18,20-46,50H2,1-2H3,(H,53,54)/b19-17-/t47-/m1/s1
HMDB09244	PE(20:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h47H,3-46,50H2,1-2H3,(H,53,54)/t47-/m1/s1
HMDB09247	PE(20:0/dm18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35,38,42H,3-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b38-35-/t42-/m1/s1
HMDB09246	PE(20:0/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1
HMDB09249	PE(20:0/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,35,38,42H,3-17,19,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b20-18-,38-35-/t42-/m1/s1
HMDB09248	PE(20:0/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,38-35-/t42-/m1/s1
HMDB32397	Methyl-delta-ionone	CCC(=O)\C=C\C1C(C)C=CCC1(C)C	InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h6-9,11,13H,5,10H2,1-4H3/b9-8+
HMDB32396	Methyl 2-decenoate	CCCCCCCC=CC(=O)OC	InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-8H2,1-2H3/b10-9+
HMDB32391	3-Methyl-3-butenyl acetate	CC(=C)CCOC(C)=O	InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3
HMDB32390	2-Methyl-4,5-benzoxazole	CC1=NC2=CC=CC=C2O1	InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
HMDB32393	2-Methylbutyl 3-methyl-2-butenoate	CCC(C)COC(=O)C=C(C)C	InChI=1S/C10H18O2/c1-5-9(4)7-12-10(11)6-8(2)3/h6,9H,5,7H2,1-4H3
HMDB32392	2-Methylbutylamine	CCC(C)CN	InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3
HMDB01032	DHEA sulfate	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O	InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
HMDB04041	L-Allothreonine	C[C@H](O)[C@H](N)C(O)=O	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
HMDB01030	3'-Ketolactose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11?,12+/m1/s1
HMDB04043	Alpha-Terpineol	CC1=CC[C@@H](CC1)C(C)(C)O	InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
HMDB04044	N6-Methyladenosine	CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1
HMDB04045	3-Sulfopyruvic acid	OC(=O)C(=O)CS(O)(=O)=O	InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)
HMDB04047	Adipoyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(O)=O	InChI=1S/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,20-,21-,22+,26-/m1/s1
HMDB04049	20-Hydroxy-PGF2a	OCCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)C1C\C=C/CCCC(O)=O	InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16?,17?,18-,19+/m0/s1
HMDB01038	Angiotensin IV	CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
HMDB01039	Hydroxide	[OH-]	InChI=1S/H2O/h1H2/p-1
HMDB40152	3-Mercapto-1-hexanol	CCCC(S)CCO	InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
HMDB40153	R-3-(Methylthio)-1-hexanol	CCCC(CCO)SC	InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3
HMDB40150	Dihydro-5-methyl-2(3H)-thiophenone	CC1CCC(=O)S1	InChI=1S/C5H8OS/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
HMDB40151	(2E,4E)-2,4-Octadien-1-ol	CCC\C=C\C=C/CO	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4+,7-6-
HMDB45300	TG(18:0/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,35,60H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-59H2,1-3H3/b12-9-,21-18-,28-25-,35-27-
HMDB40157	3-Methylbutyl 2-methylbutanoate	CCC(C)C(=O)OCCC(C)C	InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
HMDB40154	6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose	OCC1OC(CO)(OCC(O)C(O)C(O)CC=O)C(O)C1O.OCC1OC(CO)(OCC(O)C2OC(O)CC2O)C(O)C1O.OCC1OC(CO)(OCC2OC(O)CC(O)C2O)C(O)C1O	InChI=1S/3C12H22O10/c13-2-7-9(18)11(19)12(4-14,22-7)20-3-6(16)10-5(15)1-8(17)21-10;13-2-6-10(18)11(19)12(4-14,22-6)20-3-7-9(17)5(15)1-8(16)21-7;13-2-1-6(16)9(18)7(17)4-21-12(5-15)11(20)10(19)8(3-14)22-12/h2*5-11,13-19H,1-4H2;2,6-11,14-20H,1,3-5H2
HMDB40155	Paradisin C	C\C(CCC(O)C(C)(C)O)=C/COC1=C2C=COC2=CC2=C1C=CC1(OC(CC\C(C)=C\COC3=C4C=COC4=CC4=C3C=CC(=O)O4)C(C)(C)O1)O2	InChI=1S/C42H46O11/c1-25(7-10-35(43)40(3,4)45)14-19-49-39-28-13-18-42(51-34(28)24-32-30(39)17-22-47-32)52-36(41(5,6)53-42)11-8-26(2)15-20-48-38-27-9-12-37(44)50-33(27)23-31-29(38)16-21-46-31/h9,12-18,21-24,35-36,43,45H,7-8,10-11,19-20H2,1-6H3/b25-14+,26-15+
HMDB40158	Hexyl 2-methyl-3-pentenoate	CCCCCCOC(=O)C(C)\C=C/C	InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,9,11H,4,6-8,10H2,1-3H3/b9-5-
HMDB40159	2-O-a-D-Galactopyranuronosyl-L-rhamnose	CC(O)C(O)C(O)C(OC1OC(C(O)C(O)C1O)C(O)=O)C=O.CC(O)C1OC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O.CC1OC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O	InChI=1S/3C12H20O11/c1-2(13)7-6(17)9(11(20)21-7)23-12-5(16)3(14)4(15)8(22-12)10(18)19;1-2-3(13)5(15)9(11(20)21-2)23-12-7(17)4(14)6(16)8(22-12)10(18)19;1-3(14)5(15)6(16)4(2-13)22-12-9(19)7(17)8(18)10(23-12)11(20)21/h2*2-9,11-17,20H,1H3,(H,18,19);2-10,12,14-19H,1H3,(H,20,21)
HMDB45308	TG(18:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,36,39,45,48,58H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,48-45-
HMDB45309	TG(18:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,54H,4-6,8,11,13-15,17,20,22-24,26,29,31-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-
HMDB57428	CL(16:1(9Z)/16:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C76H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-26,28-30,32,34-35,70-72,77H,5-24,27,31,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,32-28-,35-34-/t70?,71-,72-/m1/s1
HMDB57429	CL(16:1(9Z)/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h25-27,29-31,35-38,73-75,80H,5-24,28,32-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB03892	(S)-N-Methylsalsolinol	C[C@@H]1N(C)CCC2=CC(O)=C(O)C=C12	InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m0/s1
HMDB48306	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,35,37,58H,4-7,9-10,12-14,16,19,21-23,28-34,36,38-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,37-35-
HMDB48305	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,33,35,56H,4-7,9-10,12-14,16,19,21-23,28-32,34,36-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-33-
HMDB48304	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,30-33,38,41,54H,4-7,9-10,12-14,16,19,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB03896	7-Dehydrodesmosterol	[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C	InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
HMDB48302	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,52H,4-6,8-9,11-14,17,20-23,27,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-
HMDB48301	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29,31,52H,4-6,8-9,11-14,17,21-22,25,27-28,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,31-29-
HMDB48300	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,50H,4-6,8-9,11-14,17,21-22,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-
HMDB48309	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,30,32,53H,4-6,8-9,11-13,20-22,27-29,31,33-52H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,32-30-
HMDB48308	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,33,36,52H,4-6,8-9,11-14,21-23,27,30,32,34-35,37-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-
HMDB09797	PI(16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C41H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36-41,44-48H,3-12,14,16-32H2,1-2H3,(H,49,50)/b15-13-/t33-,36?,37-,38?,39?,40?,41-/m1/s1
HMDB09796	PI(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-,26-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09795	PI(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,39,42-47,50-54H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,26-24-,32-30-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09794	PI(16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,39,42-47,50-54H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,26-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09793	PI(16:0/22:4(10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09792	PI(16:0/22:3(10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,39,42-47,50-54H,3-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09791	PI(16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42-47,50-54H,3-10,12,14-16,19-38H2,1-2H3,(H,55,56)/b13-11-,18-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09790	PI(16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,37,40-45,48-52H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,53,54)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09799	PI(16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,35,38-43,46-50H,3-13,15,17-34H2,1-2H3,(H,51,52)/b16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09798	PI(16:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36-41,44-48H,3-12,17-32H2,1-2H3,(H,49,50)/b15-13-,16-14-/t33-,36?,37-,38?,39?,40?,41-/m1/s1
HMDB30894	(3beta,4alpha,5alpha,24S)-4,14-Dimethylstigmasta-8,25-dien-3-ol	CCC(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3)C(C)=C	InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h21-25,28,32H,2,9-19H2,1,3-8H3
HMDB30895	11,12-Dihydroxy-1(10)-spirovetiven-2-one; (4R,5S,7R,11x)-form, 12-O-b-D-Glucopyranoside	CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H34O8/c1-11-6-14(23)7-12(2)21(11)5-4-13(8-21)20(3,27)10-28-19-18(26)17(25)16(24)15(9-22)29-19/h6,12-13,15-19,22,24-27H,4-5,7-10H2,1-3H3
HMDB30896	Momordicilin	CC\C=C\C(C)(O)OCC1(C)C2CCC3(C)C(CCC4C5C(C)C(C)CCC5(C)CCC34C)C2(C)CCC1=O	InChI=1S/C36H60O3/c1-10-11-17-36(9,38)39-23-33(6)27-15-20-35(8)28(32(27,5)19-16-29(33)37)13-12-26-30-25(3)24(2)14-18-31(30,4)21-22-34(26,35)7/h11,17,24-28,30,38H,10,12-16,18-23H2,1-9H3/b17-11+
HMDB30897	Lucidenolactone	CC1(CCC(=O)O1)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3
HMDB30890	Annomuricin-D-one	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)C(O)CCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28-25-27(24-26(2)36)35(41)42-28/h27-34,37-40H,3-25H2,1-2H3
HMDB30891	(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one	CC(C)=CC(=O)C\C(C)=C\CC\C(C)=C\CO	InChI=1S/C15H24O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,16H,5-6,9,11H2,1-4H3/b13-8+,14-7+
HMDB30892	p-Menth-3-en-9-al	CC(C=O)C1=CCC(C)CC1	InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h5,7-9H,3-4,6H2,1-2H3
HMDB30893	Isocitral	CC(C)=CC\C=C(/C)CC=O	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3/b10-6+
HMDB40480	Cyclocommunin	CC(C)\C=C\C1=C(O)C=C2OC3=C(C(OC4=CC(O)=CC=C34)C=C(C)C)C(=O)C2=C1O	InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-20-21(23(15)28)24(29)22-19(9-13(3)4)30-18-10-14(26)6-8-16(18)25(22)31-20/h5-12,19,26-28H,1-4H3/b7-5+
HMDB40481	Dihydroisocycloartomunin	COC1=C(O)C=C2OC(C=C(C)C)C3=C(OC4=C(CC=C(C)C)C(O)=CC(O)=C4C3=O)C2=C1	InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-17(28)20(31-5)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3
HMDB40482	2',3,5-Trihydroxy-5',7-dimethoxyflavanone	COC1=CC=C(O)C(=C1)C1OC2=CC(OC)=CC(O)=C2C(=O)C1O	InChI=1S/C17H16O7/c1-22-8-3-4-11(18)10(5-8)17-16(21)15(20)14-12(19)6-9(23-2)7-13(14)24-17/h3-7,16-19,21H,1-2H3
HMDB40483	Quercetin 3-sophorotrioside 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C39H50O26/c1-10-21(46)26(51)30(55)36(57-10)58-12-5-15(45)20-16(6-12)59-32(11-2-3-13(43)14(44)4-11)33(25(20)50)63-38-35(29(54)24(49)18(8-41)61-38)65-39-34(28(53)23(48)19(9-42)62-39)64-37-31(56)27(52)22(47)17(7-40)60-37/h2-6,10,17-19,21-24,26-31,34-49,51-56H,7-9H2,1H3
HMDB30898	(22E, 24x)-Ergosta-4,6,8,22-tetraen-3-one	CC(C)C(C)\C=C\C(C)C1CCC2C3=C(CCC12C)C1(C)CCC(=O)C=C1C=C3	InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24-25H,11-16H2,1-6H3/b8-7+
HMDB40485	Quercitrin; 2''-O-[4-Hydroxycinnamoyl-(-&gt;6)-b-D-glucopyranosyl], 7-O-b-D-glucopyranoside	CC1OC(OC2=C(OC3=C(C(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+
HMDB40486	Quercetin 3-(2-glucosylrhamnoside)	CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C27H30O16/c1-8-17(33)21(37)25(43-26-22(38)20(36)18(34)15(7-28)41-26)27(39-8)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3
HMDB40487	Moracetin	OCC1OC(OCC2OC(OCC3OC(OC4=C(OC5=C(C(O)=CC(O)=C5)C4=O)C4=CC(O)=C(O)C=C4)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-7-16-20(40)24(44)27(47)32(53-16)50-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(35)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2
HMDB51701	TG(22:1(13Z)/20:2n6/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,23-28,60H,4-13,16,19-22,29-59H2,1-3H3/b17-14-,18-15-,26-23-,27-24-,28-25-
HMDB51700	TG(22:1(13Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,33,39,42,59H,4-13,15-16,19-20,22,24,29-32,34-38,40-41,43-58H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,33-27-,42-39-
HMDB51703	TG(22:1(13Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,36,38,44,47,61H,4-14,16,19,21-23,30-35,37,39-43,45-46,48-60H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,38-36-,47-44-
HMDB51702	TG(22:1(13Z)/20:2n6/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,36,38,61H,4-14,16,19,21-23,30-35,37,39-60H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,38-36-
HMDB51705	TG(22:1(13Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,33,35,40,43,63H,4-14,17,20-23,30-32,34,36-39,41-42,44-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,35-33-,43-40-
HMDB51704	TG(22:1(13Z)/20:2n6/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,63H,4-14,17,20-23,30-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-
HMDB51707	TG(22:1(13Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,33,59H,4-8,10-11,13,15-16,19-20,22,24,29-32,34-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,33-27-
HMDB51706	TG(22:1(13Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,33,35,40,43,49,52,63H,4-14,17,20-23,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB51709	TG(22:1(13Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,36,38,61H,4-7,9-10,12-14,16,19,21-23,30-35,37,39-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,38-36-
HMDB51708	TG(22:1(13Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,33,39,42,59H,4-8,10-11,13,15-16,19-20,22,24,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,33-27-,42-39-
HMDB46838	TG(22:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34-35,37,43,46,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,37-35-,46-43-
HMDB46837	TG(22:0/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-
HMDB46836	TG(22:0/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,32-33,58H,4-8,10-11,13-17,19-20,22-25,28-31,34-57H2,1-3H3/b12-9-,21-18-,32-26-,33-27-
HMDB46835	TG(22:0/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,33,58H,4-8,10-11,13-17,19,22,24-26,28-32,34-57H2,1-3H3/b12-9-,21-18-,23-20-,33-27-
HMDB46834	TG(22:0/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-
HMDB46833	TG(22:0/18:3(9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-
HMDB46832	TG(22:0/18:3(9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-63H2,1-3H3/b12-9-,21-18-,38-27-
HMDB34234	3-Methylpentanoic acid, 9CI; ()-form, Et ester	CCOC(=O)CC(C)CC	InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3
HMDB35628	6-Hydroxy-8-hexacosanone	CCCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC	InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-6-4-2/h25,27H,3-24H2,1-2H3
HMDB35629	6-Hydroxy-8-pentacosanone	CCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC	InChI=1S/C25H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h24,26H,3-23H2,1-2H3
HMDB34235	2-Pentanone	CCCC(C)=O	InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
HMDB35624	(17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione	CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(=O)C(CO)(CO)C2CC4)O1	InChI=1S/C29H44O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-23,30-31H,6-17H2,1-5H3
HMDB35625	(-)-7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane	CC1(C)C2CCC1C(=C)C2	InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
HMDB35626	Glaucarubin	CCC(C)(O)C(=O)OC1C2C(C)C(O)C3(O)OCC22C3C3(C)C(O)C(O)C=C(C)C3CC2OC1=O	InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3
HMDB35627	Ganoderic acid C1	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)
HMDB35620	Artabsinolide A	CC1C2CCC(C)(O)C3=C(C2OC1=O)C(C)(O)CC3=O	InChI=1S/C15H20O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-8,12,18-19H,4-6H2,1-3H3
HMDB34236	Benzenepropanenitrile	N#CCCC1=CC=CC=C1	InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
HMDB35622	(+)-cis-Carveol	CC(=C)[C@H]1CC=C(C)[C@@H](O)C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m0/s1
HMDB35623	beta-Zeacarotene	CC(C\C=C/C=C(\C)/C=C/C=C(\C)/C=C\C=C(\C)CCC=C(C)C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-19,22-27,29-30,34H,13,17,20-21,28,31H2,1-10H3/b12-11-,22-14+,23-16+,26-15-,30-29+,33-19+,35-24-,36-25+,37-27-
HMDB33271	Foetidin	CC1(C)C(O)CCC2(C)C(COC3=CC(=O)OC4=CC=CC=C34)C(=C)CCC12	InChI=1S/C24H30O4/c1-15-9-10-20-23(2,3)21(25)11-12-24(20,4)17(15)14-27-19-13-22(26)28-18-8-6-5-7-16(18)19/h5-8,13,17,20-21,25H,1,9-12,14H2,2-4H3
HMDB07650	DG(22:2(13Z,16Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,39,42H,3-10,12,15,19-38H2,1-2H3/b13-11-,16-14-,18-17-/t39-/m0/s1
HMDB33273	Cubebinin	COC1=CC(CC2COC(O)C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC	InChI=1S/C24H32O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17,24-25H,7-8,13H2,1-6H3
HMDB34237	Propyl acetate	CCCOC(C)=O	InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
HMDB33275	5-Hydroxyauranetin	COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C(OC)=C2O1	InChI=1S/C20H20O8/c1-23-11-8-6-10(7-9-11)15-17(24-2)13(21)12-14(22)18(25-3)20(27-5)19(26-4)16(12)28-15/h6-9,22H,1-5H3
HMDB33274	Guavin B	OC1C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC2OC1OC1=CC(O)=C(C(=O)C2=CC=CC=C2)C(O)=C1	InChI=1S/C33H26O17/c34-15-6-12(7-16(35)22(15)23(38)11-4-2-1-3-5-11)48-33-29(44)28(43)30-19(49-33)10-47-31(45)13-8-17(36)24(39)26(41)20(13)21-14(32(46)50-30)9-18(37)25(40)27(21)42/h1-9,19,28-30,33-37,39-44H,10H2
HMDB33277	8-Hydroxypinoresinol; 4'-Me ether, 8-Ac	COC1=C(O)C=CC(=C1)C1OCC2C(OCC12OC(C)=O)C1=CC(OC)=C(OC)C=C1	InChI=1S/C23H26O8/c1-13(24)31-23-12-30-21(14-6-8-18(26-2)20(9-14)28-4)16(23)11-29-22(23)15-5-7-17(25)19(10-15)27-3/h5-10,16,21-22,25H,11-12H2,1-4H3
HMDB33276	4',5-Dihydroxy-3',5',7,8-tetramethoxyflavone	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2O	InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)17(13)22)12-7-10(20)16-11(21)8-15(25-3)18(26-4)19(16)27-12/h5-8,21-22H,1-4H3
HMDB33279	8-Hydroxypinoresinol	COC1=C(O)C=CC(=C1)C1OCC2(O)C1COC2C1=CC(OC)=C(O)C=C1	InChI=1S/C20H22O7/c1-24-16-7-11(3-5-14(16)21)18-13-9-26-19(20(13,23)10-27-18)12-4-6-15(22)17(8-12)25-2/h3-8,13,18-19,21-23H,9-10H2,1-2H3
HMDB33278	8-Hydroxypinoresinol; 4'-Me ether, 8-Ac, 4-O-b-D-glucopyranoside	COC1=C(OC)C=C(C=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C29H36O13/c1-14(31)42-29-13-39-26(15-5-7-18(35-2)20(9-15)36-3)17(29)12-38-27(29)16-6-8-19(21(10-16)37-4)40-28-25(34)24(33)23(32)22(11-30)41-28/h5-10,17,22-28,30,32-34H,11-13H2,1-4H3
HMDB09236	PE(20:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,43H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,20-18-,26-24-,32-30-/t43-/m1/s1
HMDB34231	Apterin	CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1OC2=CC=C3C=CC(=O)OC3=C2C1O	InChI=1S/C20H24O10/c1-20(2,30-19-16(26)15(25)13(23)10(7-21)28-19)18-14(24)12-9(27-18)5-3-8-4-6-11(22)29-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14?,15+,16-,18?,19+/m1/s1
HMDB41685	5'-Hydroxy-O-desmethylangolensin	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])(C(=O)C1=C(O[H])C([H])=C(O[H])C(O[H])=C1[H])C([H])([H])[H]	InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)15(20)11-6-13(18)14(19)7-12(11)17/h2-8,16-19H,1H3
HMDB41684	4'-O-Methyldelphinidin 3-O-beta-D-glucoside	[H]OC1=C([H])C(O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C(O[H])=C1[H]	InChI=1S/C22H22O12/c1-31-21-12(26)2-8(3-13(21)27)20-15(6-10-11(25)4-9(24)5-14(10)32-20)33-22-19(30)18(29)17(28)16(7-23)34-22/h2-6,16-19,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,17-,18+,19-,22-/m1/s1
HMDB41687	5,6,7,3',4'-Pentahydroxyisoflavone	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C([H])OC2=C([H])C(O[H])=C(O[H])C(O[H])=C2C1=O	InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)7-5-22-11-4-10(18)14(20)15(21)12(11)13(7)19/h1-5,16-18,20-21H
HMDB09237	PE(20:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)/t45-/m1/s1
HMDB41681	4-Hydroxyenterodiol	[H]OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])O[H])C([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C18H22O5/c19-10-14(6-12-2-1-3-16(21)8-12)15(11-20)7-13-4-5-17(22)18(23)9-13/h1-5,8-9,14-15,19-23H,6-7,10-11H2
HMDB34232	(Chloromethyl)oxirane	ClCC1CO1	InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
HMDB41683	4-Hydroxyphenyl-2-propionic acid	[H]OC(=O)C([H])(C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])[H]	InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)
HMDB41682	4-Hydroxyenterolactone	[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])C([H])([H])OC(=O)[C@]1([H])C([H])([H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C18H18O5/c19-14-3-1-2-11(7-14)6-13-10-23-18(22)15(13)8-12-4-5-16(20)17(21)9-12/h1-5,7,9,13,15,19-21H,6,8,10H2/t13-,15+/m0/s1
HMDB09230	PE(20:0/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,43H,3-17,19,21-42,46H2,1-2H3,(H,49,50)/b20-18-/t43-/m1/s1
HMDB34233	(E)-2-Butenal	C\C=C/C=O	InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-
HMDB41689	5,7,8,3',4'-Pentahydroxyisoflavone	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C([H])OC2=C(O[H])C(O[H])=C([H])C(O[H])=C2C1=O	InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)7-5-22-15-12(13(7)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H
HMDB41688	5,6,7,4'-Tetrahydroxyisoflavone	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[H])=C(O[H])C(O[H])=C2C1=O	InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-11-5-10(17)14(19)15(20)12(11)13(9)18/h1-6,16-17,19-20H
HMDB46659	TG(22:0/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,31,38,41,56H,4-16,18-19,22-23,25,27-30,32-37,39-40,42-55H2,1-3H3/b20-17-,24-21-,31-26-,41-38-
HMDB07655	DG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,28,30,41,44H,3-10,15-16,20-22,24-27,29,31-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-,30-28-/t41-/m0/s1
HMDB09232	PE(20:0/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,24,26,30,32,43H,3-17,19,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b20-18-,26-24-,32-30-/t43-/m1/s1
HMDB09233	PE(20:0/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,43H,3-11,13,15-17,19,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b14-12-,20-18-,26-24-/t43-/m1/s1
HMDB44088	TG(16:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,52H,4-18,21,24-51H2,1-3H3/b22-19-,23-20-
HMDB02078	Cyanate	[O-]C#N	InChI=1S/CHNO/c2-1-3/h3H/p-1
HMDB44089	TG(16:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20,23,25,27,52H,4-19,21-22,24,26,28-51H2,1-3H3/b23-20-,27-25-
HMDB02072	4-Methoxyphenylacetic acid	COC1=CC=C(CC(O)=O)C=C1	InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
HMDB02071	O-2-(acetylamino)-2-deoxy-a-D-Gal-(1-&gt;3)-O-[6-deoxy-a-L-Gal-(1-&gt;2)]-O-b-D-Gal-(1-&gt;3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1-&gt;3)-O-b-D-Gal-(1-&gt;4)-D-Glucose	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O)[C@]([H])(OC3O[C@H](CO)[C@H](O)[C@H](O[C@@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C40H68N2O30/c1-10-21(53)28(60)29(61)38(63-10)72-35-34(71-36-19(41-11(2)49)27(59)23(55)15(6-45)64-36)26(58)18(9-48)67-40(35)69-32-20(42-12(3)50)37(65-16(7-46)24(32)56)70-33-25(57)17(8-47)66-39(30(33)62)68-31(14(52)5-44)22(54)13(51)4-43/h4,10,13-40,44-48,51-62H,5-9H2,1-3H3,(H,41,49)(H,42,50)/t10-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25-,26-,27+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40?/m0/s1
HMDB02070	4-Hydroxy-2-oxoglutaric acid	OC(CC(=O)C(O)=O)C(O)=O	InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)
HMDB02077	Chlorite	[O-][Cl]=O	InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1
HMDB02074	2,2-Dimethylsuccinic acid	CC(C)(CC(O)=O)C(O)=O	InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
HMDB35413	(4alpha,5alpha)-11-Eremophilene-2,9-dione	CC1CC(=O)CC2C(=O)CC(CC12C)C(C)=C	InChI=1S/C15H22O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-11,13H,1,5-8H2,2-4H3
HMDB41359	6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone	COC1=CC=C(C=C1OC)C1=C(OC)C(=O)C2=C(O1)C(OC)=C(OC)C(O)=C2OC	InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-19(27-4)14(22)13-17(26-3)15(23)20(28-5)21(29-6)18(13)30-16/h7-9,23H,1-6H3
HMDB41358	Quercetin 3-beta-laminaribioside	OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2
HMDB07934	PC(15:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
HMDB41353	Lucyoside K	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H56O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,19,21-29,37,39-41H,8-18H2,1-6H3,(H,42,43)
HMDB41352	Amaranthussaponin II	CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C=O)OC(C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H74O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,19-20,22-37,39-41,49,51-59H,9-18H2,1-7H3,(H,60,61)
HMDB41351	Koryoginsenoside R1	C\C=C\C(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	InChI=1S/C46H76O15/c1-10-12-31(50)57-22-28-34(52)36(54)37(55)40(60-28)58-26-20-45(8)29(43(6)17-15-30(49)42(4,5)39(26)43)19-25(48)32-24(14-18-44(32,45)7)46(9,16-11-13-23(2)3)61-41-38(56)35(53)33(51)27(21-47)59-41/h10,12-13,24-30,32-41,47-49,51-56H,11,14-22H2,1-9H3/b12-10+
HMDB41350	Gibberellin A95	CC12CC=CC3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)
HMDB41357	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside	CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38)
HMDB07937	PC(15:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1
HMDB41355	Matesaponin 5	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C65H106O31/c1-24-11-16-65(60(84)96-58-49(82)44(77)40(73)32(91-58)23-86-54-50(83)45(78)52(31(21-68)90-54)94-57-48(81)43(76)39(72)30(20-67)89-57)18-17-63(7)27(36(65)25(24)2)9-10-34-62(6)14-13-35(61(4,5)33(62)12-15-64(34,63)8)92-59-53(95-55-46(79)41(74)37(70)26(3)87-55)51(28(69)22-85-59)93-56-47(80)42(75)38(71)29(19-66)88-56/h9,24-26,28-59,66-83H,10-23H2,1-8H3
HMDB41354	Smilanippin A	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H64O12/c1-18-8-13-39(47-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-34(45)32(43)30(41)27(50-36)17-46-35-33(44)31(42)29(40)20(3)48-35/h18-36,40-45H,6-17H2,1-5H3
HMDB44228	TG(16:0/24:1(15Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,58H,4-19,21-22,24,26,28-57H2,1-3H3/b23-20-,27-25-
HMDB07936	PC(15:0/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,37H,6-15,17,19-36H2,1-5H3/b18-16-/t37-/m1/s1
HMDB49168	TG(18:1(11Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,38,41,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,41-38-
HMDB49169	TG(18:1(11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,41-38-,50-47-
HMDB44229	TG(16:0/24:1(15Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h25-27,33,58H,4-24,28-32,34-57H2,1-3H3/b27-25-,33-26-
HMDB49164	TG(18:1(11Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,57H,4-13,15-16,18-20,22,25,27-56H2,1-3H3/b17-14-,24-21-,26-23-
HMDB07931	PC(14:1(9Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,19-20,32,35,39H,6-12,14,16-18,21-31,33-34,36-38H2,1-5H3/b15-13-,20-19-,35-32-
HMDB49166	TG(18:1(11Z)/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,33,36,42,45,58H,4-15,17-18,20,22-23,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,28-25-,36-33-,45-42-
HMDB49167	TG(18:1(11Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,60H,4-15,17-18,20,22-23,26-27,29-59H2,1-3H3/b19-16-,24-21-,28-25-
HMDB49160	TG(18:1(11Z)/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,60H,4-20,22-23,26-27,29-59H2,1-3H3/b24-21-,28-25-
HMDB49161	TG(18:1(11Z)/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-
HMDB49162	TG(18:1(11Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,32,57H,4-19,22,25-28,30-31,33-56H2,1-3H3/b23-20-,24-21-,32-29-
HMDB49163	TG(18:1(11Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,30,36,39,56H,4-16,18-19,22-23,25,27-29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,30-26-,39-36-
HMDB44493	TG(16:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,43,46,56H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB44492	TG(16:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,56H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-
HMDB44491	TG(16:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,56H,4-7,9-10,12-15,18,21-24,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-
HMDB44490	TG(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,38,41,54H,4-7,9-10,12-15,18,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-
HMDB44497	TG(16:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,38,41,54H,4-6,9,12-15,18,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-
HMDB07933	PC(15:0/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H72NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-24-22-19-17-15-13-11-9-7-2/h13,15,35H,6-12,14,16-34H2,1-5H3/b15-13-/t35-/m1/s1
HMDB44495	TG(16:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,33,36,52H,4-6,9,12-15,18,21-24,29-32,34-35,37-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,36-33-
HMDB44494	TG(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,52H,4-6,9,12-15,18,21-24,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-
HMDB44499	TG(16:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37,43,46,56H,4-6,9,12-15,18,21-24,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB07932	PC(15:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-24-22-19-17-15-13-11-9-7-2/h35H,6-34H2,1-5H3/t35-/m1/s1
HMDB55867	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43-48,66H,4-6,9,12-15,22-24,31-33,40-42,49-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB56409	CL(16:0/16:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C73H138O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,67-69,74H,5-24,26,28,30,32-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,31-27-/t67?,68-,69-/m1/s1
HMDB56408	CL(16:0/16:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27,31,69-71,76H,5-26,28-30,32-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-/t69?,70-,71-/m1/s1
HMDB05821	Beta-Cortol	[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19+,20+,21+/m1/s1
HMDB56403	CL(16:0/16:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,33,35,38,42,50,54,73-75,80H,5-20,22-24,26-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB53430	TG(20:2n6/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,37,39-40,42,46,49,61H,4-6,8-9,11-14,17,20-23,30-31,33,35-36,38,41,43-45,47-48,50-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-
HMDB56401	CL(16:0/16:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h34,36,71-73,78H,5-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b36-34-/t71?,72-,73-/m1/s1
HMDB39628	Psidinin C	OC1CC2=C(O)C=C3OC45C(C6OC(=O)C4C(=C(O)C5=O)C4=C(C=C(O)C(O)=C4O)C(=O)OC6C4OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OCC4OC(=O)C4=CC(O)=C(O)C(O)=C4)C3=C2OC1C1=CC(O)=C(O)C(O)=C1	InChI=1S/C55H38O31/c56-17-9-26-31(45-13(17)5-25(64)44(82-45)11-1-18(57)35(65)19(58)2-11)33-47-48(85-53(78)16-8-24(63)39(69)42(72)30(16)32-34(54(79)84-47)55(33,86-26)49(74)43(32)73)46-27(81-50(75)12-3-20(59)36(66)21(60)4-12)10-80-51(76)14-6-22(61)37(67)40(70)28(14)29-15(52(77)83-46)7-23(62)38(68)41(29)71/h1-4,6-9,25,27,33-34,44,46-48,56-73H,5,10H2
HMDB39629	Camellianin D	OC(C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(C(O)=C(O)C(O)=C2OC2=C(O)C(O)=CC(=C2)C(=O)OC2C(O)OC3COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(O)C(O)=C(O)C=C4C(=O)OC3C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OCC1O)C1=C2OC(C(O)CC2=C(O)C=C1O)C1=CC=C(O)C(O)=C1	InChI=1S/C83H62O50/c84-26-2-1-17(3-28(26)86)66-38(96)8-20-27(85)14-29(87)47(67(20)127-66)63(111)71-72(132-81(120)25-13-37(95)55(103)60(108)45(25)44-24(80(119)130-71)12-36(94)54(102)59(44)107)68-39(97)15-123-77(116)22-10-34(92)56(104)61(109)46(22)48-49(82(121)128-68)70(65(113)64(112)62(48)110)125-40-7-19(6-32(90)51(40)99)76(115)133-74-73(131-75(114)18-4-30(88)50(98)31(89)5-18)69-41(126-83(74)122)16-124-78(117)21-9-33(91)52(100)57(105)42(21)43-23(79(118)129-69)11-35(93)53(101)58(43)106/h1-7,9-14,38-39,41,63,66,68-69,71-74,83-113,122H,8,15-16H2
HMDB56400	CL(16:0/16:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h26,30,71-73,78H,5-25,27-29,31-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-/t71?,72-,73-/m1/s1
HMDB41679	4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid	[H]OC(=O)C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16)
HMDB39620	Butyl butyrate	CCCCOC(=O)CCC	InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
HMDB39621	beta-Santalic acid	C\C(=C\CCC1(C)C2CCC(C2)C1=C)C(O)=O	InChI=1S/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5-
HMDB39622	Gibberellin A90	CC12CC(O)C(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-13(12(18)15(22)23)17(2,16(24)25-19)7-10(20)14(19)21/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)
HMDB39623	Gibberellin A79	CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)C(O)C2O)C(=C)C5	InChI=1S/C19H24O7/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(23)24)17(2,16(25)26-19)13(21)11(20)14(19)22/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)
HMDB39624	Assamicain C	OC1=CC(O)=C(CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC(O)=C(O)C(O)=C2)C2=C(O)C=C3OC(C(CC3=C2O)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1	InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(65-43(62)16-5-28(53)40(60)29(54)6-16)35(14-1-24(49)38(58)25(50)2-14)36-23(48)13-32-20(37(36)57)12-34(42(64-32)15-3-26(51)39(59)27(52)4-15)66-44(63)17-7-30(55)41(61)31(56)8-17/h1-10,13,33-35,42,45-61H,11-12H2
HMDB39625	2-Galloylglucose	OCC1OC(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2
HMDB39626	Guajavin B	OC1CC2=C(O)C(C3C4OC(=O)C5=C3C(O)=C(O)C(O)=C5C3=C5C(=C(O)C(O)=C3O)C3=CC(=C(O)C(O)=C3O)C(=O)OC3COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)OC3C4OC5=O)=C(O)C=C2OC1C1=CC(O)=C(O)C(O)=C1	InChI=1S/C56H38O32/c57-15-7-21-10(4-20(62)48(84-21)9-1-16(58)36(66)17(59)2-9)33(63)26(15)30-29-32-28(43(73)47(77)44(29)74)27-31-23(41(71)46(76)42(27)72)11-3-14(35(65)45(75)34(11)64)54(80)85-22-8-83-52(78)12-5-18(60)37(67)39(69)24(12)25-13(6-19(61)38(68)40(25)70)53(79)86-49(22)51(88-55(31)81)50(30)87-56(32)82/h1-3,5-7,20,22,30,48-51,57-77H,4,8H2
HMDB39627	Psiguavin	OC1CC2=C(O)C=C(O)C3=C2OC1C1=CC(=O)C2(O)C1C1(OC2=O)C2C4=C(C3C(OC4=O)C3OC(=O)C4=C2C(O)=C(O)C(O)=C4C2=CC(=C(O)C(O)=C2O)C(=O)OC2COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC32)C1=O	InChI=1S/C55H34O31/c56-14-6-15(57)24-25-26-29-30(55(47(26)72)46-13(5-20(61)54(46,79)53(78)86-55)41-18(60)2-8(14)42(24)82-41)28-27-21(37(68)40(71)38(28)69)9-1-12(32(63)39(70)31(9)62)50(75)81-19-7-80-48(73)10-3-16(58)33(64)35(66)22(10)23-11(4-17(59)34(65)36(23)67)49(74)83-43(19)45(85-51(27)76)44(25)84-52(29)77/h1,3-6,18-19,25,30,41,43-46,56-60,62-71,79H,2,7H2
HMDB32637	2-Phenylethanethiol	SCCC1=CC=CC=C1	InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
HMDB32634	Diammonium sulfite	[NH4+].[NH4+].[O-]S([O-])=O	InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)
HMDB32635	N,N-Diethylbenzeneacetamide	CCN(CC)C(=O)CC1=CC=CC=C1	InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
HMDB47218	TG(24:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,35,40,42,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34,36-39,41,43-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,35-33-,42-40-
HMDB47219	TG(24:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,35,40,42,48,51,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,35-33-,42-40-,51-48-
HMDB32630	2'-Aminoacetophenone	CC(=O)C1=C(N)C=CC=C1	InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
HMDB47214	TG(24:0/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-
HMDB47215	TG(24:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,38,41,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-,41-38-
HMDB47216	TG(24:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,35,38,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,38-35-
HMDB47217	TG(24:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,35,38,43,46,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,38-35-,46-43-
HMDB47210	TG(24:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,35,38,43,46,60H,4-16,18-19,22-23,25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b20-17-,24-21-,28-26-,38-35-,46-43-
HMDB47211	TG(24:0/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,62H,4-16,18-19,22-23,25,27,29-61H2,1-3H3/b20-17-,24-21-,28-26-
HMDB32638	(Z)-5-Hexadecenoic acid	CCCCCCCCCC\C=C\CCCC(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h11-12H,2-10,13-15H2,1H3,(H,17,18)/b12-11+
HMDB32639	Methyl 4-methoxybenzoate	COC(=O)C1=CC=C(OC)C=C1	InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
HMDB49397	TG(18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,32-33,35,41,44,57H,4-15,17-18,22,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-29-,35-33-,44-41-
HMDB30708	Vicenin 2	OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C(C2OC(CO)C(O)C(O)C2O)=C1O	InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2
HMDB30709	Dihydrocubebin	OCC(CC1=CC2=C(OCO2)C=C1)C(CO)CC1=CC2=C(OCO2)C=C1	InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2
HMDB37578	Limocitrin 3-rhamnoside	COC1=CC(=CC=C1O)C1=C(OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O	InChI=1S/C23H24O12/c1-8-15(27)17(29)18(30)23(33-8)35-22-16(28)14-11(25)7-12(26)20(32-3)21(14)34-19(22)9-4-5-10(24)13(6-9)31-2/h4-8,15,17-18,23-27,29-30H,1-3H3
HMDB37579	Limocitrin 3-rutinoside	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O	InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3
HMDB37576	Melitin	CC1OC(OC2C(O)C(C)OC(OC3=CC(O)=C4C(=O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)=C(OC4=C3)C3=CC=C(O)C=C3)C2O)C(O)C(O)C1O	InChI=1S/C39H50O24/c1-11-21(43)26(48)30(52)37(56-11)62-34-22(44)12(2)57-39(32(34)54)58-15-7-16(42)20-17(8-15)59-33(13-3-5-14(41)6-4-13)35(25(20)47)63-38-31(53)28(50)24(46)19(61-38)10-55-36-29(51)27(49)23(45)18(9-40)60-36/h3-8,11-12,18-19,21-24,26-32,34,36-46,48-54H,9-10H2,1-2H3
HMDB37577	Kaempferol 2G-coumaroylrutinoside	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O	InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+
HMDB37574	Biorobin	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3
HMDB37575	Kaempferol 3-arabinofuranoside 7-rhamnofuranoside	CC(O)C1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)25(39-22)36-12-6-13(30)16-14(7-12)37-23(10-2-4-11(29)5-3-10)24(18(16)32)40-26-20(34)17(31)15(8-27)38-26/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3
HMDB30700	Gartanin	CC(C)=CCC1=C(O)C2=C(OC3=C(O)C=CC(O)=C3C2=O)C(CC=C(C)C)=C1O	InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
HMDB37573	Kaempferol 3-neohesperidoside	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3
HMDB37570	Demethoxykanugin	COC1=CC=C2C(=O)C(OC)=C(OC2=C1)C1=CC=C2OCOC2=C1	InChI=1S/C18H14O6/c1-20-11-4-5-12-14(8-11)24-17(18(21-2)16(12)19)10-3-6-13-15(7-10)23-9-22-13/h3-8H,9H2,1-2H3
HMDB37571	Demethylnobiletin	COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC)C(OC)=C2O1	InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3
HMDB40970	(6S,6'S)-epsilon,epsilon-Carotene-3,3'-dione	C\C(\C=C\C=C(/C)\C=C/C1C(C)=CC(=O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1C(C)=CC(=O)CC1(C)C	InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21-,24-22+,29-15-,30-16+,31-19+,32-20-
HMDB40971	3'',6''-Di-O-p-coumaroyltrifolin	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+
HMDB40972	1-Methoxy-1H-indole-3-carboxaldehyde	CON1C=C(C=O)C2=C1C=CC=C2	InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
HMDB40973	1-Methoxy-1H-indole-3-acetonitrile	CON1C=C(CC#N)C2=C1C=CC=C2	InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
HMDB40974	Laurolitsine	COC1=CC2=C(CC3NCCC4=CC(O)=C(OC)C2=C34)C=C1O	InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3
HMDB40975	Kaempferol 3-[6'''-p-coumarylglucosyl-(1-&gt;2)-rhamnoside]	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+
HMDB40976	3-Epimasticadienolic acid	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C	InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+
HMDB40977	Brassitin	CSC(=O)NCC1=CNC2=C1C=CC=C2	InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
HMDB40978	14alpha-Hydroxypaxilline	CC(C)(O)C1OC2(O)CCC3(C)C4(C)C(CC5=C4NC4=C5C=CC=C4)CCC3(O)C2=CC1=O	InChI=1S/C27H33NO5/c1-23(2,30)22-19(29)14-20-26(31)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,32)33-22/h5-8,14-15,22,28,30-32H,9-13H2,1-4H3
HMDB40979	14alpha-Hydroxy-4beta-deoxypaxilline	CC(C)(O)C1OC2(O)CCC3(C)C(CCC4CC5=C(NC6=C5C=CC=C6)C34C)C2=CC1=O	InChI=1S/C27H33NO4/c1-24(2,30)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,31)32-23/h5-8,14-15,18,23,28,30-31H,9-13H2,1-4H3
HMDB53950	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-
HMDB53951	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-
HMDB41674	4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C(OC([H])([H])[H])C([H])=C([H])C(=C2[H])[C@@]2([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C([H])([H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C22H24O12/c1-31-13-3-2-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)4-15(13)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
HMDB41675	4'-Methyl-(-)-epigallocatechin 3'-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(=C([H])C(O[H])=C2OC([H])([H])[H])[C@@]2([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C([H])([H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C22H24O13/c1-32-19-11(25)2-7(18-12(26)6-9-10(24)4-8(23)5-13(9)33-18)3-14(19)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,12,15-18,20,22-29H,6H2,1H3,(H,30,31)/t12-,15+,16+,17-,18-,20+,22-/m1/s1
HMDB01865	2-Oxovaleric acid	CCCC(=O)C(O)=O	InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
HMDB01864	2-Ketohexanoic acid	CCCCC(=O)C(O)=O	InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
HMDB01867	4-Aminohippuric acid	NC1=CC=C(C=C1)C(=O)NCC(O)=O	InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
HMDB01866	3,4-Dihydroxymandelic acid	OC(C(O)=O)C1=CC=C(O)C(O)=C1	InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
HMDB01861	3-Methylhistamine	CN1C=NC=C1CCN	InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3
HMDB01860	Paraxanthine	CN1C=NC2=C1C(=O)N(C)C(=O)N2	InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
HMDB01863	2-Hydroxyvaleric acid	CCCC(O)C(O)=O	InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
HMDB01862	2-Ethylacrylic acid	CCC(=C)C(O)=O	InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7)
HMDB53955	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,36,38-39,41,62H,4-8,10-11,13-15,22-24,31-35,37,40,42-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-
HMDB01868	5-Methoxysalicylic acid	COC1=CC(C(O)=O)=C(O)C=C1	InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
HMDB59473	CL(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,69,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66-68,70-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-/t89?,90-,91-/m1/s1
HMDB59472	CL(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,44-46,48-50,53,55-60,62,65,69-70,74,89-91,96H,5-8,11-12,15-20,29-32,41-43,47,51-52,54,61,63-64,66-68,71-73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,74-70-/t89?,90-,91-/m1/s1
HMDB59471	CL(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)84-104-91(96)78-74-70-66-62-58-54-50-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-48,51-58,63-64,67-68,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,49-50,59-62,65-66,69-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,55-51-,56-52-,57-53-,58-54-,67-63-,68-64-/t88-,89-/m1/s1
HMDB55171	TG(18:3(9Z,12Z,15Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30,32,34,56H,4-6,9,12-15,18,21-24,27,29,31,33,35-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,34-32-
HMDB59477	CL(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,68-69,72,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66-67,70-71,73-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,72-68-/t89?,90-,91-/m1/s1
HMDB59476	CL(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,44-46,48-50,53,55-60,62,65,68-70,72,74,89-91,96H,5-8,11-12,15-20,29-32,41-43,47,51-52,54,61,63-64,66-67,71,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59475	CL(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)84-104-91(96)78-74-70-66-62-58-54-50-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-48,51-58,63-65,67-69,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,49-50,59-62,66,70-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,55-51-,56-52-,57-53-,58-54-,67-63-,68-64-,69-65-/t87?,88-,89-/m1/s1
HMDB59474	CL(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,69-70,74,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66-68,71-73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,74-70-/t89?,90-,91-/m1/s1
HMDB55176	TG(18:3(9Z,12Z,15Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,30-31,56H,4-7,10,13-16,19,22-25,28-29,32-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-
HMDB59479	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,45-52,57-64,71-72,75-76,91-93,98H,5-8,11-12,15-20,29-32,41-44,53-56,65-70,73-74,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,75-71-,76-72-/t92-,93-/m1/s1
HMDB59478	CL(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,68-70,72,74,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66-67,71,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB55177	TG(18:3(9Z,12Z,15Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,30-31,36,39,56H,4-7,10,13-16,19,22-25,28-29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-,39-36-
HMDB43449	TG(15:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37-38,40,53H,4-6,8-9,11-15,18,21-24,28,32-34,36,39,41-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-
HMDB43448	TG(15:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,38,53H,4-6,8-9,11-15,18,21-24,28,32-34,36-37,39-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-
HMDB43445	TG(15:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,33,36-37,40,42,45,55H,4-15,18,21-24,28,32,34-35,38-39,41,43-44,46-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-,45-42-
HMDB43444	TG(15:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,33,36-37,40,55H,4-15,18,21-24,28,32,34-35,38-39,41-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-
HMDB43447	TG(15:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32-33,35-36,51H,4-6,8-9,11-15,18,21-24,29-31,34,37-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-
HMDB43446	TG(15:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,33,36,51H,4-6,8-9,11-15,18,21-24,29-32,34-35,37-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,36-33-
HMDB43441	TG(15:0/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,38,53H,4-15,18,21-24,28,32-34,36-37,39-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,31-30-,38-35-
HMDB43440	TG(15:0/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16-17,20,22,25-26,28,34,37,52H,4-12,14-15,18-19,21,23-24,27,29-33,35-36,38-51H2,1-3H3/b16-13-,20-17-,25-22-,28-26-,37-34-
HMDB43443	TG(15:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,37,40,55H,4-15,18,21-24,28-30,32-36,38-39,41-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,40-37-
HMDB43442	TG(15:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,37-38,40,53H,4-15,18,21-24,28,32-34,36,39,41-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-
HMDB35369	Citreoviridinol A1	COC1=CC(=O)OC(\C=C/C=C/C=C\C2(C)OC3(C)C(O)OC(C)(C3O)C2O)=C1C	InChI=1S/C22H28O8/c1-13-14(28-16(23)12-15(13)27-5)10-8-6-7-9-11-20(2)17(24)21(3)18(25)22(4,30-20)19(26)29-21/h6-12,17-19,24-26H,1-5H3/b7-6+,10-8-,11-9-
HMDB35368	Cytochalasin Ppho	CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(\C=C\CC(C)CC(C)(O)\C=C/C2OC(C)=O)C(O)C1(C)O	InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14-
HMDB35361	Daucene	CC(C)C1=C2CCC(C)=CCC2(C)CC1	InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,11H,5-6,8-10H2,1-4H3
HMDB35360	N-Methyl-1-deoxynojirimycin	CN1CC(O)C(O)C(O)C1CO	InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
HMDB35363	Notoginsenoside R1	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3
HMDB35362	Notoginsenoside R2	CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3
HMDB35365	Cnidiol C	CC1(C)OC(C)(CCC1O)C=C	InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3
HMDB35364	6-Epi-beta-bisabolol	C[C@@H](CCC=C(C)C)[C@@]1(O)CCC(C)=CC1	InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15-/m0/s1
HMDB35367	Cytochalasin Npho	CC1C\C=C\C2C(O)C(C)=C(C)C3C(CC4=CC=CC=C4)NC(=O)C23C(OC(C)=O)\C=C/C(C)(O)C1	InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18,23-27,33,35H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14-
HMDB35366	Cytochalasin Opho	CC1C\C=C\C2C(O)C(C)=C(C)C3C(CC4=CC=CC=C4)NC(=O)C23C(O)\C=C/C(C)(O)C1	InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-25,30-31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13-
HMDB36621	Conferone	CC1=CCC2C(C)(C)C(=O)CCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1	InChI=1S/C24H28O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20H,9,11-12,14H2,1-4H3
HMDB36620	5,7-Dimethoxyflavone	COC1=CC2=C(C(=O)C=C(O2)C2=CC=CC=C2)C(OC)=C1	InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
HMDB36623	4-Deoxycohumulone	CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O	InChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3
HMDB36622	Carboxyyessotoxin	CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(CC=C)C(O)=O	InChI=1S/C55H82O23S2/c1-9-10-29(50(57)58)12-14-51(4,59)49-28(3)19-38-37(73-49)25-45-55(8,76-38)48(56)47-41(72-45)23-40-46(74-47)27(2)11-15-53(6)43(71-40)26-42-54(7,78-53)16-13-30-31(70-42)20-33-32(67-30)21-34-35(68-33)22-39-36(69-34)24-44(77-80(63,64)65)52(5,75-39)17-18-66-79(60,61)62/h9,12,14,27,29-49,56,59H,1,3,10-11,13,15-26H2,2,4-8H3,(H,57,58)(H,60,61,62)(H,63,64,65)/b14-12+
HMDB36625	45-Hydroxyhomoyessotoxin	CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)C(O)C=C	InChI=1S/C56H84O22S2/c1-10-31(57)28(2)12-16-52(5,59)51-30(4)20-40-39(73-51)26-47-56(9,76-40)50(58)49-43(72-47)24-42-48(74-49)29(3)13-17-54(7)45(71-42)27-44-55(8,78-54)18-14-32-33(70-44)21-35-34(67-32)22-36-37(68-35)23-41-38(69-36)25-46(77-80(63,64)65)53(6,75-41)15-11-19-66-79(60,61)62/h10,12,16,29,31-51,57-59H,1-2,4,11,13-15,17-27H2,3,5-9H3,(H,60,61,62)(H,63,64,65)/b16-12+
HMDB36624	4-Deoxyhumulone	CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O	InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3
HMDB36627	Eugenin	COC1=CC2=C(C(O)=C1)C(=O)C=C(C)O2	InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3
HMDB36626	3,4-Dihydro-2H-1-benzopyran-2-one	O=C1CCC2=CC=CC=C2O1	InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
HMDB36629	(-)-Maackiain	OC1=CC2=C(C=C1)C1OC3=CC4=C(OCO4)C=C3C1CO2	InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2
HMDB36628	9-Hydroxy-4-methoxypsoralen	COC1=C2C=CC(=O)OC2=C(O)C2=C1C=CO2	InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3
HMDB37733	Propyl 2-furanacrylate	CCCOC(=O)\C=C/C1=CC=CO1	InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5-
HMDB38281	cis-3-Hexenyl phenylacetate	CC\C=C/CCOC(=O)CC1=CC=CC=C1	InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
HMDB38280	cis-3-Hexenyl trans-2-hexenoate	CCC\C=C\C(=O)OCC\C=C/CC	InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+
HMDB38283	6-Chlorocatechin	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C(Cl)=C2O	InChI=1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2
HMDB38282	4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone; O-b-D-Glucopyranoside	CC(C)=CCC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C(C)=O	InChI=1S/C19H26O7/c1-10(2)4-5-13-8-12(11(3)21)6-7-14(13)25-19-18(24)17(23)16(22)15(9-20)26-19/h4,6-8,15-20,22-24H,5,9H2,1-3H3
HMDB38285	Enterocin L50	Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C30H32ClF3N2O2.ClH/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34;/h3-14,21,38H,15-20H2,1-2H3;1H
HMDB38284	Enterocin 900	C(CN1CCCC1)OC1=CC=C(C=C1)C1=C(OC2=CC3=C(CCCCC3)C=C12)C1=CC=CC=C1	InChI=1S/C31H33NO2/c1-3-9-24(10-4-1)31-30(28-21-25-11-5-2-6-12-26(25)22-29(28)34-31)23-13-15-27(16-14-23)33-20-19-32-17-7-8-18-32/h1,3-4,9-10,13-16,21-22H,2,5-8,11-12,17-20H2
HMDB38287	Myricetin 3-neohesperidoside	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H30O17/c1-7-16(33)20(37)22(39)26(40-7)44-25-21(38)18(35)14(6-28)42-27(25)43-24-19(36)15-10(30)4-9(29)5-13(15)41-23(24)8-2-11(31)17(34)12(32)3-8/h2-5,7,14,16,18,20-22,25-35,37-39H,6H2,1H3
HMDB38286	Eujambin	CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(C)=O	InChI=1S/C30H26O17/c1-9-25(44-10(2)31)24(41)28(46-29(42)12-5-17(36)22(39)18(37)6-12)30(43-9)47-27-23(40)20-14(33)7-13(32)8-19(20)45-26(27)11-3-15(34)21(38)16(35)4-11/h3-9,24-25,28,30,32-39,41H,1-2H3
HMDB38289	5-Butyloxazole	CCCCC1=CN=CO1	InChI=1S/C7H11NO/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3
HMDB38288	4-Butyloxazole	CCCCC1=COC=N1	InChI=1S/C7H11NO/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3
HMDB58128	CL(18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,41-43,45,53,57,78-80,85H,5-20,22-24,28-29,32,34-35,39-40,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB13912	2-Hydroxynevirapine	CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC(O)=C1	InChI=1S/C15H14N4O2/c1-8-7-11(20)17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,20)(H,18,21)
HMDB13913	8-Hydroxynevirapine	CC1=C2NC(=O)C3=C(N=CC(O)=C3)N(C3CC3)C2=NC=C1	InChI=1S/C15H14N4O2/c1-8-4-5-16-14-12(8)18-15(21)11-6-10(20)7-17-13(11)19(14)9-2-3-9/h4-7,9,20H,2-3H2,1H3,(H,18,21)
HMDB58700	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-38-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-42,46,54,58,77-79,84H,5-20,22-24,28-29,32,34-35,39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,40-37-,41-38-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB13911	12-Hydroxynevirapine	OCC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1	InChI=1S/C15H14N4O2/c20-8-9-5-7-17-14-12(9)18-15(21)11-2-1-6-16-13(11)19(14)10-3-4-10/h1-2,5-7,10,20H,3-4,8H2,(H,18,21)
HMDB58706	CL(18:2(9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-38-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,41-43,46-47,53,55,57,59,78-80,85H,5-20,23-24,28-30,32,35,39-40,44-45,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,36-33-,37-34-,41-38-,46-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1
HMDB58707	CL(18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-42-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-40,45,47,55,59,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-44,46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,47-45-,59-55-/t76?,77-,78-/m1/s1
HMDB13914	3-Hydroxynevirapine	CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1O	InChI=1S/C15H14N4O2/c1-8-11(20)7-17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9,20H,4-5H2,1H3,(H,18,21)
HMDB58705	CL(18:2(9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-42,45,52,56,77-79,84H,5-20,22-24,28-29,32,34-35,39,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,40-37-,41-38-,45-42-,56-52-/t77?,78-,79-/m1/s1
HMDB34700	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,8-Tetra-Ac	CC(=O)OC1=C(O)C=C2OC3=C(C2=C1)C(OC(C)=O)=C(OC(C)=O)C(C1=CC=C(O)C=C1)=C3OC(C)=O	InChI=1S/C26H20O11/c1-11(27)33-20-9-17-19(10-18(20)32)37-26-22(17)25(36-14(4)30)23(34-12(2)28)21(24(26)35-13(3)29)15-5-7-16(31)8-6-15/h5-10,31-32H,1-4H3
HMDB34701	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,7-Tetra-Ac	CC(=O)OC1=C(O)C=C2C(OC3=C2C(OC(C)=O)=C(OC(C)=O)C(C2=CC=C(O)C=C2)=C3OC(C)=O)=C1	InChI=1S/C26H20O11/c1-11(27)33-20-10-19-17(9-18(20)32)22-25(36-14(4)30)23(34-12(2)28)21(15-5-7-16(31)8-6-15)24(26(22)37-19)35-13(3)29/h5-10,31-32H,1-4H3
HMDB34702	Fumonisin B1	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)
HMDB13919	N-Desmethyleletriptan	O=S(=O)(CCC1=CC2=C(NC=C2C[C@H]2CCCN2)C=C1)C1=CC=CC=C1	InChI=1S/C21H24N2O2S/c24-26(25,19-6-2-1-3-7-19)12-10-16-8-9-21-20(13-16)17(15-23-21)14-18-5-4-11-22-18/h1-3,6-9,13,15,18,22-23H,4-5,10-12,14H2/t18-/m1/s1
HMDB34704	22-Deoxoisocucurbitacin D	CC(C)(O)\C=C\CC(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C	InChI=1S/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18,20-21,23-24,32,34-36H,11,13-16H2,1-8H3/b12-9+
HMDB34705	22-Deoxocucurbitacin D	CC(C)(O)\C=C\CC(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C	InChI=1S/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18-21,23,31-32,35-36H,11,13-16H2,1-8H3/b12-9+
HMDB34706	Cucurbitacin C	CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)C(=O)CC12C	InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+
HMDB34707	Epicatechin-(2beta-&gt;7,4beta-&gt;6)-catechin	OC1CC2=C(O)C3=C(OC4(OC5=C(C3C4O)C(O)=CC(O)=C5)C3=CC=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2
HMDB58129	CL(18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,29,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB07700	DG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,45,48H,3-5,7,9-10,15-16,21-22,27-28,33-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1
HMDB07701	DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,36,38,45,48H,3-5,7,9-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1
HMDB15459	Cortisone acetate	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
HMDB15458	Magnesium oxide	O=[Mg]	InChI=1S/Mg.O
HMDB15455	Quinupristin	CC[C@H]1NC(=O)[C@@H](NC(=O)C2=NC=CC=C2O)[C@@H](C)OC(=O)[C@@H](NC(=O)C2CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](CC2=CC=C(C=C2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)C1=CC=CC=C1	InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35?,37-,38+,39?,40+,43-,44+,45+/m1/s1
HMDB15454	Rasagiline	C#CCN[C@@H]1CCC2=CC=CC=C12	InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
HMDB15457	Dihydroxyaluminium	O.O.NCC(=O)O[Al]	InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+1;;/p-1
HMDB15456	Aluminium	[Al]	InChI=1S/Al
HMDB15451	Ephedrine	CN[C@@H](C)[C@H](O)C1=CC=CC=C1	InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
HMDB15453	Procaterol	CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1	InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m0/s1
HMDB15452	Mephentermine	CNC(C)(C)CC1=CC=CC=C1	InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
HMDB07706	DG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,28,30,38,41H,3-10,12,14-16,19,22,24,26-27,29,31-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-,30-28-/t38-/m0/s1
HMDB28684	Alanyl-Cysteine	CC(NC(=O)C(N)CS)C(O)=O	InChI=1S/C6H12N2O3S/c1-3(6(10)11)8-5(9)4(7)2-12/h3-4,12H,2,7H2,1H3,(H,8,9)(H,10,11)
HMDB28685	Alanyl-Glutamine	CC(NC(=O)C(N)CCC(N)=O)C(O)=O	InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)
HMDB28686	Alanyl-Glutamate	CC(NC(=O)C(N)CCC([O-])=O)C(O)=O	InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1
HMDB28687	Alanyl-Glycine	CC(NC(=O)CN)C(O)=O	InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)
HMDB28680	Alanyl-Alanine	CC(N)C(=O)NC(C)C(O)=O	InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
HMDB28681	Alanyl-Arginine	CC(NC(=O)C(N)CCCNC(N)=N)C(O)=O	InChI=1S/C9H19N5O3/c1-5(8(16)17)14-7(15)6(10)3-2-4-13-9(11)12/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13)
HMDB28682	Alanyl-Asparagine	CC(NC(=O)C(N)CC(N)=O)C(O)=O	InChI=1S/C7H13N3O4/c1-3(7(13)14)10-6(12)4(8)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)
HMDB28683	Alanyl-Aspartate	CC(NC(=O)C(N)CC(O)=O)C(O)=O	InChI=1S/C7H12N2O5/c1-3(7(13)14)9-6(12)4(8)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)
HMDB28688	Alanyl-Hydroxyproline	CC(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14)
HMDB28689	Alanyl-Histidine	CC(NC(=O)C(N)CC1=CN=CN1)C(O)=O	InChI=1S/C9H14N4O3/c1-5(9(15)16)13-8(14)7(10)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
HMDB58124	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-20,22-24,29,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB49293	TG(18:1(11Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,33,58H,4-15,17-18,21-22,24,26,29-32,34-57H2,1-3H3/b19-16-,23-20-,28-25-,33-27-
HMDB07704	DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,27,29,37,40H,3-10,12,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1
HMDB07705	DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,27,29,37,40H,3-9,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1
HMDB59053	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63-64,68,85-87,92H,5-9,11-13,15-20,24,28-32,40-41,44,49-50,53,55,57,60-62,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-,68-64-/t85?,86-,87-/m1/s1
HMDB11424	PE(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,26,28,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB11425	PE(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,26,28,32,34,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB11426	PE(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,26,28,37,40,44H,3-4,6,8-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB11427	PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB11420	PE(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB11421	PE(P-18:1(11Z)/22:0)	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16,37,40,44H,3-13,15,17-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,40-37-/t44-/m1/s1
HMDB11422	PE(P-18:1(11Z)/22:1(13Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40,44H,3-13,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,19-17-,40-37-/t44-/m1/s1
HMDB11423	PE(P-18:1(11Z)/22:2(13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,37,40,44H,3-10,12,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,40-37-/t44-/m1/s1
HMDB11428	PE(P-18:1(11Z)/24:0)	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16,39,42,46H,3-13,15,17-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,42-39-/t46-/m1/s1
HMDB11429	PE(P-18:1(11Z)/24:1(15Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42,46H,3-13,15,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,19-17-,42-39-/t46-/m1/s1
HMDB52704	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,33-34,59H,4-8,10-11,13-15,17,22,24,26,30-32,35-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-,34-29-
HMDB52705	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,33-34,39,42,59H,4-8,10-11,13-15,17,22,24,26,30-32,35-38,40-41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-,34-29-,42-39-
HMDB52706	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,35-36,39,61H,4-7,9-10,12-15,18,22-23,27,31-34,37-38,40-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,39-36-
HMDB39959	3-O-Caffeoyl-1-O-methylquinic acid	COC1(CC(O)C(O)C(C1)OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3-
HMDB52700	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,35-36,39,45,48,61H,4-15,18,22-23,27,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,39-36-,48-45-
HMDB52701	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,37,63H,4-15,18,22-23,27,31-36,38-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,37-30-
HMDB52702	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33,35,37,41,44,63H,4-15,18,22-23,27,31-32,34,36,38-40,42-43,45-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,37-30-,44-41-
HMDB52703	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33,35,37,41,44,50,53,63H,4-15,18,22-23,27,31-32,34,36,38-40,42-43,45-49,51-52,54-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,37-30-,44-41-,53-50-
HMDB52708	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33,35,37,41,44,63H,4-6,8-9,11-15,18,22-23,27,31-32,34,36,38-40,42-43,45-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,37-30-,44-41-
HMDB52709	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33,35,37,41,44,50,53,63H,4-6,8-9,11-15,18,22-23,27,31-32,34,36,38-40,42-43,45-49,51-52,54-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,37-30-,44-41-,53-50-
HMDB14492	Nitisinone	[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O	InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
HMDB14493	Clobazam	CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O	InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
HMDB14490	Alfuzosin	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N(C)CCCNC(=O)C1CCCO1	InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
HMDB14491	Trimethadione	CN1C(=O)OC(C)(C)C1=O	InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
HMDB14496	Thioguanine	NC1=NC(=S)C2=C(N1)N=CN2	InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
HMDB14497	Methylergonovine	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO	InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
HMDB14494	Minoxidil	NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1	InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
HMDB14495	Megestrol	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C	InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4-5,12,16-18,24H,6-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
HMDB38911	(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol	CC#CC#CC#CC#CC(O)C(O)C(O)CO	InChI=1S/C13H12O4/c1-2-3-4-5-6-7-8-9-11(15)13(17)12(16)10-14/h11-17H,10H2,1H3
HMDB38910	2-Methyl-5-(8-pentadecenyl)-1,3-benzenediol	CCCCCC\C=C/CCCCCCCC1=CC(O)=C(C)C(O)=C1	InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h8-9,17-18,23-24H,3-7,10-16H2,1-2H3/b9-8-
HMDB14498	Buclizine	CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1	InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3
HMDB14499	Aztreonam	C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(=O)O)\C2=CSC([NH3+])=N2)C(=O)N1S([O-])(=O)=O	InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
HMDB38915	12-Tridecene-4,6,8,10-tetraynal	C=CC#CC#CC#CC#CCCC=O	InChI=1S/C13H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,13H,1,11-12H2
HMDB38914	4,6-Decadiyn-1-ol isovalerate	CCCC#CC#CCCCOC(=O)CC(C)C	InChI=1S/C15H22O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-5,10-13H2,1-3H3
HMDB38917	Armillarivin	CC1=C(C(=O)OC2CC3(C)C2C(C=O)=CC2CC(C)(C)CC32)C(O)=CC(O)=C1	InChI=1S/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3
HMDB38916	7alpha,8alpha-Dihydroxycalonectrin	CC(=O)OCC12C(O)C(O)C(C)=CC1OC1C(CC2(C)C11CO1)OC(C)=O	InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3
HMDB59054	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,47-48,52,55,59,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46,49-51,53-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,47-45-,52-48-,59-55-/t81?,82-,83-/m1/s1
HMDB39954	Macamide B	CCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1	InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25)
HMDB39955	Carotamine	NC1=CC=C(C=C1)C(=O)NC1=CC=C(C(O)=O)C(N)=C1	InChI=1S/C14H13N3O3/c15-9-3-1-8(2-4-9)13(18)17-10-5-6-11(14(19)20)12(16)7-10/h1-7H,15-16H2,(H,17,18)(H,19,20)
HMDB53666	TG(20:3n6/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38,41,55H,4-15,18,21-24,29-30,35-37,39-40,42-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-
HMDB43674	TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37-38,40,53H,4-7,9-10,12-15,18,21-24,28,32-34,36,39,41-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-
HMDB46439	TG(22:0/14:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-
HMDB58004	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB51691	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,32-33,38,40-41,43,58H,4-7,9-10,12-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-
HMDB46438	TG(22:0/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,32,34,39,42,56H,4-14,16-17,19-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,27-25-,34-32-,42-39-
HMDB13141	1-Methylhypoxanthine	CN1C=NC2=C(NC=N2)C1=O	InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8)
HMDB37766	3-Mercapto-1-hexanol; (S)-form, O-Hexanoyl	CCCCCC(=O)OCCC(S)CCC	InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
HMDB53660	TG(20:3n6/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,54H,4-6,8-9,11-15,18,21-23,28-29,34-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB37765	3-Mercapto-1-hexanol; (S)-form, O-Butanoyl	CCC[C@H](S)CCOC(=O)CCC	InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3/t9-/m0/s1
HMDB37764	S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate	CCCC(CCOC(C)=O)SC(C)=O	InChI=1S/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3
HMDB10489	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,54H,4-15,22-24,31-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-/t54-/m0/s1
HMDB10488	TG(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-33,36,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m1/s1
HMDB10485	TG(18:2(9Z,12Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-32,34,56H,4-15,18,21-24,29,33,35-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,34-32-/t56-/m1/s1
HMDB10484	TG(18:2(9Z,12Z)/18:1(9Z)/20:2(11Z,14Z))[iso6]	[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-31,56H,4-15,18,21-24,29,32-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-/t56-/m1/s1
HMDB10487	TG(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-33,36,39,58H,4-6,8-9,11-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB10486	TG(18:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-33,36,39,58H,4-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB10481	TG(18:2(9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,54H,4-15,18,21-24,31-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-/t54-/m0/s1
HMDB10480	TG(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,30,32,34,40,43,56H,4-15,18,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1
HMDB10483	TG(18:2(9Z,12Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-32,34,40,43,56H,4-6,8-9,11-15,18,21-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB29871	Sanguiin H4	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1O	InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2
HMDB37761	Haem; Fe-Nitrosyl	CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C=C)C8=[N]7[Fe]4(N=O)(N2C1=C8)N56)C(C)=C3CCC(O)=O	InChI=1S/C34H34N4O4.Fe.NO/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;/q;+3;-1/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
HMDB12438	PS(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C46H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,42-43H,3-10,15-16,21-22,27-28,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t42-,43+/m1/s1
HMDB12439	PS(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C48H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(51)59-44(42-57-60(54,55)58-43-45(49)48(52)53)41-56-46(50)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33-34,36,44-45H,3-4,6,8-10,15-16,21,23,26,29,32,35,37-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t44-,45+/m1/s1
HMDB12436	PS(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C44H72NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,27,29,40-41H,3-5,7,9-10,15-16,20,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t40-,41+/m1/s1
HMDB12437	PS(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C46H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29,31,42-43H,3-10,15-16,21-22,27-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t42-,43+/m1/s1
HMDB12434	PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C44H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,40-41H,3-10,12,14-16,20,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,21-18-,23-22-,29-27-/t40-,41+/m1/s1
HMDB12435	PS(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,40-41H,3-10,15-16,20,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t40-,41+/m1/s1
HMDB12432	PS(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,25,27,38-39H,3-10,12,15,19,21,23-24,26,28-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,18-17-,22-20-,27-25-/t38-,39+/m1/s1
HMDB12433	PS(20:4(5Z,8Z,11Z,14Z)/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,40-41H,3-10,12,14-16,18,20-21,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,23-22-,29-27-/t40-,41+/m1/s1
HMDB12430	PS(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C40H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,23,25,36-37H,3-9,14-15,18,21-22,24,26-35,41H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,13-11-,17-16-,20-19-,25-23-/t36-,37+/m1/s1
HMDB12431	PS(20:4(5Z,8Z,11Z,14Z)/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,25,27,38-39H,3-10,12,14-16,19,21,23-24,26,28-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,18-17-,22-20-,27-25-/t38-,39+/m1/s1
HMDB58729	CL(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB58001	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,29,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB54734	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,37-38,41,60H,4-7,9-10,12-15,18,21-24,30,32,36,39-40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-
HMDB58000	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-37,41-42,44,52,56,77-79,84H,5-20,22-24,28-29,32,34-35,38-40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,37-33-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB00228	Phenol	OC1=CC=CC=C1	InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
HMDB00229	Nicotinamide ribotide	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O	InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
HMDB58002	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,29-30,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB59139	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,44-46,48-51,55-58,60-63,67-70,72-74,89-91,96H,5-8,10,12,14,16-20,29-32,41-43,47,52-54,59,64-66,71,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB00220	Palmitic acid	CCCCCCCCCCCCCCCC(O)=O	InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
HMDB00221	NADPH	NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OP(O)(O)=O)[C@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O	InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m0/s1
HMDB00222	L-Palmitoylcarnitine	CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1
HMDB00223	Oxalacetic acid	OC(=O)CC(=O)C(O)=O	InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
HMDB00224	O-Phosphoethanolamine	NCCOP(O)(O)=O	InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
HMDB00225	Oxoadipic acid	OC(=O)CCCC(=O)C(O)=O	InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
HMDB00226	Orotic acid	OC(=O)C1=CC(=O)NC(=O)N1	InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
HMDB00227	Mevalonic acid	CC(O)(CCO)CC(O)=O	InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
HMDB11161	L-alpha-glutamyl-L-hydroxyproline	NC(CCC(O)=O)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C10H16N2O6/c11-6(1-2-8(14)15)9(16)12-4-5(13)3-7(12)10(17)18/h5-7,13H,1-4,11H2,(H,14,15)(H,17,18)
HMDB11160	L-alpha-Aspartyl-L-hydroxyproline	NC(CC(O)=O)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C9H14N2O6/c10-5(2-7(13)14)8(15)11-3-4(12)1-6(11)9(16)17/h4-6,12H,1-3,10H2,(H,13,14)(H,16,17)
HMDB11163	L-beta-aspartyl-L-aspartic acid	NC(CC(=O)NC(CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
HMDB11162	L-beta-aspartyl-L-alanine	CC(NC(=O)CC(N)C(O)=O)C(O)=O	InChI=1S/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)
HMDB11165	L-beta-aspartyl-L-glycine	NC(CC(=O)NCC(O)=O)C(O)=O	InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)
HMDB11164	L-beta-aspartyl-L-glutamic acid	NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O	InChI=1S/C9H14N2O7/c10-4(8(15)16)3-6(12)11-5(9(17)18)1-2-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
HMDB11167	L-beta-aspartyl-L-phenylalanine	NC(CC(=O)NC(CC1=CC=CC=C1)C(O)=O)C(O)=O	InChI=1S/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20)
HMDB11166	L-beta-aspartyl-L-leucine	CC(C)CC(NC(=O)CC(N)C(O)=O)C(O)=O	InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
HMDB11169	L-beta-aspartyl-L-threonine	CC(O)C(NC(=O)CC(N)C(O)=O)C(O)=O	InChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-5(12)2-4(9)7(13)14/h3-4,6,11H,2,9H2,1H3,(H,10,12)(H,13,14)(H,15,16)
HMDB11168	L-beta-aspartyl-L-serine	NC(CC(=O)NC(CO)C(O)=O)C(O)=O	InChI=1S/C7H12N2O6/c8-3(6(12)13)1-5(11)9-4(2-10)7(14)15/h3-4,10H,1-2,8H2,(H,9,11)(H,12,13)(H,14,15)
HMDB31212	Ethoxyacetic acid	CCOCC(O)=O	InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
HMDB53893	TG(20:3n6/22:2(13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,36-37,39-40,62H,4-15,22-24,31-35,38,41-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-
HMDB53892	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,43,46,59H,4-15,18,21-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB53891	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB53890	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB53897	TG(20:3n6/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,38,41-42,45,51,54,64H,4-15,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB53896	TG(20:3n6/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,38,41-42,45,64H,4-15,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-
HMDB53895	TG(20:3n6/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,38,41,64H,4-15,22-24,31-37,39-40,42-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB53894	TG(20:3n6/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,36-37,39-40,45,48,62H,4-15,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB53899	TG(20:3n6/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,38,40,43,60H,4-8,10-11,13-15,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-
HMDB53898	TG(20:3n6/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,38,60H,4-8,10-11,13-15,22-24,30-33,36-37,39-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-
HMDB51858	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,40-41,43-44,49,52,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB47539	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-16,18-19,21-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b20-17-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB47538	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,39,45,48,54,57,66H,4-16,18-19,21-25,28,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,29-26-,30-27-,39-35-,48-45-,57-54-
HMDB58720	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37-38,41-42,77-79,84H,5-24,28,32-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB47533	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,43,49,52,58,61,70H,4-17,19-20,22-26,28-29,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b21-18-,30-27-,43-38-,52-49-,61-58-
HMDB47532	TG(24:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,65H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b20-17-,29-26-,38-35-,46-43-
HMDB53279	TG(20:2n6/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,33,38,41,54H,4-13,15,18,20-22,24,28-30,32,34-37,39-40,42-53H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,33-31-,41-38-
HMDB53278	TG(20:2n6/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,33,54H,4-13,15,18,20-22,24,28-30,32,34-53H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,33-31-
HMDB53277	TG(20:2n6/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-26,53H,4-12,15,18-21,24,27-52H2,1-3H3/b16-13-,17-14-,25-22-,26-23-
HMDB53276	TG(20:2n6/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(55)58-51-52(59-54(56)48-45-42-39-36-32-21-18-15-12-9-6-3)50-57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,16,22,24,52H,4-12,14-15,17-21,23,25-51H2,1-3H3/b16-13-,24-22-
HMDB53275	TG(20:2n6/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,29-30,34,37,42,45,55H,4-6,8-9,11-13,15,18,20-22,27-28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,30-29-,37-34-,45-42-
HMDB53274	TG(20:2n6/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,29-30,34,37,55H,4-6,8-9,11-13,15,18,20-22,27-28,31-33,35-36,38-54H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,30-29-,37-34-
HMDB53273	TG(20:2n6/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,30,32,37,40,53H,4-6,8-9,11-13,15,18,20-22,27-29,31,33-36,38-39,41-52H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,32-30-,40-37-
HMDB53272	TG(20:2n6/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,30,32,53H,4-6,8-9,11-13,15,18,20-22,27-29,31,33-52H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,32-30-
HMDB53271	TG(20:2n6/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,24-25,27,32,34,51H,4-7,9-10,12,14-15,18-19,21,23,26,28-31,33,35-50H2,1-3H3/b11-8-,16-13-,20-17-,24-22-,27-25-,34-32-
HMDB53270	TG(20:2n6/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,24-25,27,51H,4-7,9-10,12,14-15,18-19,21,23,26,28-50H2,1-3H3/b11-8-,16-13-,20-17-,24-22-,27-25-
HMDB06978	CDP-DG(18:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C48H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h35-36,40-41,45-47,54-55H,3-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45+,46?,47-/m1/s1
HMDB06979	CDP-DG(18:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h14,16,35-36,40-41,45-47,54-55H,3-13,15,17-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b16-14-/t40-,41-,45+,46?,47-/m1/s1
HMDB06976	CDP-DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11,13,17-18,20-21,24,26,30,32,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t42-,43-,47+,48?,49-/m1/s1
HMDB06977	CDP-DG(18:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C46H85N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-41(50)59-35-38(62-42(51)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h33-34,38-39,43-45,52-53H,3-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/t38-,39-,43+,44?,45-/m1/s1
HMDB06974	CDP-DG(16:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(53)64-40(37-61-43(52)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h5,7,11,13,17-18,20,22,35-36,40-41,45-47,54-55H,3-4,6,8-10,12,14-16,19,21,23-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b7-5-,13-11-,18-17-,22-20-/t40-,41-,45+,46?,47-/m1/s1
HMDB06975	CDP-DG(16:0/22:3(10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H87N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17-18,20-21,37-38,42-43,47-49,56-57H,3-10,12,14-16,19,22-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,18-17-,21-20-/t42-,43-,47+,48?,49-/m1/s1
HMDB06972	CDP-DG(16:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h11,13,17-18,33-34,38-39,43-45,52-53H,3-10,12,14-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b13-11-,18-17-/t38-,39-,43+,44?,45-/m1/s1
HMDB06973	CDP-DG(16:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(53)64-40(37-61-43(52)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h11,13,17-18,20,22,26,28,35-36,40-41,45-47,54-55H,3-10,12,14-16,19,21,23-25,27,29-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b13-11-,18-17-,22-20-,28-26-/t40-,41-,45+,46?,47-/m1/s1
HMDB06970	CDP-DG(16:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h13,15,33-34,38-39,43-45,52-53H,3-12,14,16-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b15-13-/t38-,39-,43?,44+,45-/m1/s1
HMDB06971	CDP-DG(16:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h17-18,33-34,38-39,43-45,52-53H,3-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b18-17-/t38-,39-,43+,44?,45-/m1/s1
HMDB56488	CL(16:0/18:0/16:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h28,32,69-71,76H,5-27,29-31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b32-28-/t69?,70-,71-/m1/s1
HMDB57443	CL(16:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57446	CL(16:1(9Z)/18:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,71-73,78H,5-24,26,30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB36759	Pregeijerene	C\C1=C\CC\C(C)=C/C=C\CC1	InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3-,11-7-,12-10-
HMDB57447	CL(16:1(9Z)/18:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-33,35,71-73,78H,5-26,29-30,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-/t71?,72-,73-/m1/s1
HMDB57448	CL(16:1(9Z)/18:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB45327	TG(18:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,35,42,45,60H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,28-25-,35-27-,45-42-
HMDB36758	Isomultiflorenol	CC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(O)C(C)(C)C1CC4	InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3
HMDB58725	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB51851	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,42,45,51,54,66H,4-8,10-11,13-17,19-20,22-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,45-42-,54-51-
HMDB49988	TG(18:1(9Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,35,61H,4-13,15-16,18-22,24,29-34,36-60H2,1-3H3/b17-14-,26-23-,28-25-,35-27-
HMDB49989	TG(18:1(9Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36-37,40,62H,4-16,18-19,21-24,30-35,38-39,41-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,40-37-
HMDB49982	TG(18:1(9Z)/24:1(15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-
HMDB49983	TG(18:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h25-29,36-37,40,46,49,62H,4-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b28-25-,29-26-,36-27-,40-37-,49-46-
HMDB49980	TG(18:1(9Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,27-28,33,59H,4-24,26,29-32,34-58H2,1-3H3/b28-25-,33-27-
HMDB49981	TG(18:1(9Z)/24:1(15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25-28,34-35,60H,4-24,29-33,36-59H2,1-3H3/b28-25-,34-26-,35-27-
HMDB49986	TG(18:1(9Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,35-36,61H,4-19,21-22,24,26,30-34,37-60H2,1-3H3/b23-20-,28-25-,35-27-,36-29-
HMDB49987	TG(18:1(9Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20,25-28,34-35,40,43,60H,4-16,18-19,21-24,29-33,36-39,41-42,44-59H2,1-3H3/b20-17-,28-25-,34-26-,35-27-,43-40-
HMDB49984	TG(18:1(9Z)/24:1(15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,38,64H,4-24,30-37,39-63H2,1-3H3/b28-25-,29-26-,38-27-
HMDB49985	TG(18:1(9Z)/24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-29,40,66H,4-24,30-39,41-65H2,1-3H3/b28-25-,29-26-,40-27-
HMDB48324	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29,31,37,40,52H,4-6,8-9,11-14,17,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,31-29-,40-37-
HMDB43913	TG(16:0/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h50H,4-49H2,1-3H3
HMDB43912	TG(16:0/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB51237	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,38,41,47,50,64H,4-15,18,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB43910	TG(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-33-
HMDB43917	TG(16:0/18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB03134	Biocytin	[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2	InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
HMDB51233	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34-35,38,40,43-44,47,60H,4-15,17,20,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB51232	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,35-36,39,45,48,61H,4-15,17-18,20,22-23,27,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-30-,39-36-,48-45-
HMDB43919	TG(16:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB30274	(E)-Casimiroedine	CN(CCC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)\C=C\C1=CC=CC=C1	InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20-,21-/m1/s1
HMDB30275	Herculin	CCC\C=C\CCCC\C=C\C(=O)NCC(C)C	InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)/b7-6+,13-12+
HMDB30276	(R)-Dihydromaleimide	OC1NC(=O)C=C1	InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-3,6H,(H,5,7)
HMDB30277	Dihydromaleimide beta-D-glucoside	OCC1OC(OC2NC(=O)C=C2)C(O)C(O)C1O	InChI=1S/C10H15NO7/c12-3-4-7(14)8(15)9(16)10(17-4)18-6-2-1-5(13)11-6/h1-2,4,6-10,12,14-16H,3H2,(H,11,13)
HMDB30270	Anomurine	COC1=CC=C(CC2NCCC3=C2C=C(OC)C(OC)=C3OC)C=C1	InChI=1S/C20H25NO4/c1-22-14-7-5-13(6-8-14)11-17-16-12-18(23-2)20(25-4)19(24-3)15(16)9-10-21-17/h5-8,12,17,21H,9-11H2,1-4H3
HMDB30271	Dehydrocarpaine I	CC1NC2CCC1OC(=O)CCCCCCCC1CCC(OC(=O)CCCCCCC2)C(C)=N1	InChI=1S/C28H48N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21,23-26,29H,3-20H2,1-2H3
HMDB30272	Carpaine	CC1NC2CCC1OC(=O)CCCCCCCC1CCC(OC(=O)CCCCCCC2)C(C)N1	InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3
HMDB30273	Dehydrocarpaine II	CC1=NC2CCC1OC(=O)CCCCCCCC1CCC(OC(=O)CCCCCCC2)C(C)=N1	InChI=1S/C28H46N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h23-26H,3-20H2,1-2H3
HMDB56582	CL(16:0/18:1(11Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1
HMDB51239	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-15,18,21-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB56580	CL(16:0/18:1(11Z)/16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
HMDB56581	CL(16:0/18:1(11Z)/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,34,36,71-73,78H,5-24,26-28,30-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,36-34-/t71?,72-,73-/m1/s1
HMDB30278	Systemin	CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C	InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)77(131)100-49(25-27-61(91)115)71(125)104-55(41-112)75(129)101-52(19-8-11-32-88)79(133)109-35-14-22-58(109)81(135)108-34-13-21-57(108)76(130)105-56(42-113)74(128)98-47(18-7-10-31-87)69(123)97-48(20-12-33-95-85(93)94)70(124)102-53(39-63(117)118)80(134)110-36-15-23-59(110)82(136)111-37-16-24-60(111)84(138)139-83(137)54(40-64(119)120)103-78(132)66(45(4)114)107-73(127)50(26-28-62(92)116)99-72(126)51(29-38-140-5)96-68(122)46(90)17-6-9-30-86/h43-60,65-66,112-114H,6-42,86-90H2,1-5H3,(H2,91,115)(H2,92,116)(H,96,122)(H,97,123)(H,98,128)(H,99,126)(H,100,131)(H,101,129)(H,102,124)(H,103,132)(H,104,125)(H,105,130)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H4,93,94,95)/t44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1
HMDB30279	Garciduol C	COC1=CC(O)=C(C(=O)C2=CC=CC=C2)C(O)=C1C1=CC(O)=C(O)C2=C1OC1=C(C=CC=C1O)C2=O	InChI=1S/C27H18O9/c1-35-18-11-16(29)20(22(31)12-6-3-2-4-7-12)25(34)19(18)14-10-17(30)24(33)21-23(32)13-8-5-9-15(28)26(13)36-27(14)21/h2-11,28-30,33-34H,1H3
HMDB56584	CL(16:0/18:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56585	CL(16:0/18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB51121	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-30,38-39,41-42,47-48,50-51,64H,4-24,31-37,40,43-46,49,52-63H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB51120	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,35,38,44,47,61H,4-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b28-25-,29-26-,38-35-,47-44-
HMDB51123	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,42,45,51,54,68H,4-24,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b28-25-,29-26-,30-27-,45-42-,54-51-
HMDB51122	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,40,43,49,52,66H,4-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b28-25-,29-26-,30-27-,43-40-,52-49-
HMDB03229	Palmitoleic acid	CCCCCC\C=C/CCCCCCCC(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
HMDB51124	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,37-38,41,47,50,63H,4-20,22-23,27,31-36,39-40,42-46,48-49,51-62H2,1-3H3/b24-21-,28-25-,29-26-,37-30-,41-38-,50-47-
HMDB51127	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,38-39,41-42,48,51,64H,4-16,18-19,21-24,31-37,40,43-47,49-50,52-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,42-39-,51-48-
HMDB51126	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,38,41,47,50,63H,4-14,16-17,19-23,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,41-38-,50-47-
HMDB51129	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,40,43,49,52,66H,4-16,18-19,21-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB03224	Deoxyribose	OC[C@@H]1O[C@H](O)C[C@H]1O	InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m1/s1
HMDB03227	Methanethiol	CS	InChI=1S/CH4S/c1-2/h2H,1H3
HMDB57981	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35,37,39,41,76-78,83H,5-24,27,31,33-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,32-28-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB57980	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36,38,40,75-77,82H,5-24,26,28,30,32-33,35,37,39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-,38-34-,40-36-/t75?,76-,77-/m1/s1
HMDB57983	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37,39-40,42,48,52,60,64,79-81,86H,5-20,22-24,27,29,31,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,32-28-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57982	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37,40,42,46,54,58,77-79,84H,5-20,22-24,27,29,31,34,36,38-39,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,37-33-,40-35-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57985	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37,39-40,42,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57984	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37,39-40,42,48,52,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34,36,38,41,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,42-35-,52-48-/t79?,80-,81-/m1/s1
HMDB57987	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37,41,76-78,83H,5-24,28,32-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,41-37-/t76?,77-,78-/m1/s1
HMDB57986	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36,39,74-76,81H,5-24,28,32-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,39-36-/t74?,75-,76-/m1/s1
HMDB57989	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,37,41,76-78,83H,5-24,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,32-28-,41-37-/t76?,77-,78-/m1/s1
HMDB57988	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-32,36,39,74-76,81H,5-24,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB56630	CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,44,48,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,48-44-/t77?,78-,79-/m1/s1
HMDB56631	CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB56632	CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB56633	CL(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56634	CL(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB56635	CL(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB56636	CL(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB47282	TG(24:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,41,47,50,64H,4-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,50-47-
HMDB56638	CL(16:0/18:1(9Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB56639	CL(16:0/18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-38,42,50,54,73-75,80H,5-20,22-24,26-32,36,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB47280	TG(24:0/20:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,63H,4-14,16-17,19-23,25,28,30-62H2,1-3H3/b18-15-,27-24-,29-26-
HMDB55587	TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,41,44,58H,4-6,9,12-15,18,21-24,30-31,37-40,42-43,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-
HMDB55586	TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,58H,4-6,9,12-15,18,21-24,30-31,37-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-
HMDB55585	TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,34,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-
HMDB55584	TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,47,50,60H,4-6,9,12-15,18,22-23,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-
HMDB55583	TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,60H,4-6,9,12-15,18,22-23,27,30,32,34,36,39-40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-
HMDB55582	TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-36,41,44,58H,4-6,9,12-15,18,22-23,27,30-32,37-40,42-43,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-
HMDB55581	TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-36,58H,4-6,9,12-15,18,22-23,27,30-32,37-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-
HMDB55580	TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-
HMDB47284	TG(24:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,43,46,66H,4-16,18-19,21-25,28,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,46-43-
HMDB55589	TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,37-38,41,47,50,60H,4-6,9,12-15,18,21-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-
HMDB55588	TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,37-38,41,60H,4-6,9,12-15,18,21-24,30,32,36,39-40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-
HMDB59039	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,45,47-48,52,55,59-60,64,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB41539	Simulansine	CC(C)C(O)CCC1(C)OC2=C(C=C1)C(=O)N(C)C1=C2C=CC=C1	InChI=1S/C20H25NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13,17,22H,10,12H2,1-4H3
HMDB41538	N-Methoxycarbonylanonaine	COC(=O)N1CCC2=CC3=C(OCO3)C3=C2C1CC1=C3C=CC=C1	InChI=1S/C19H17NO4/c1-22-19(21)20-7-6-12-9-15-18(24-10-23-15)17-13-5-3-2-4-11(13)8-14(20)16(12)17/h2-5,9,14H,6-8,10H2,1H3
HMDB41533	Quasiprotopanaxatriol	CC(C)=CC\C=C(/C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C	InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+
HMDB41532	Eremosulphoxinolide A	C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(OC(=O)\C=C\S(C)=O)C(C)C12C	InChI=1S/C24H32O7S/c1-7-13(2)22(26)31-21-20-14(3)23(27)30-18(20)12-16-8-9-17(15(4)24(16,21)5)29-19(25)10-11-32(6)28/h7,10-11,15-18,21H,8-9,12H2,1-6H3/b11-10+,13-7+
HMDB41531	Torvoside F	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C	InChI=1S/C45H74O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-21,23-42,46,48-55H,7-18H2,1-6H3
HMDB41530	Torvoside E	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C	InChI=1S/C40H66O14/c1-18(17-50-36-34(47)33(46)31(44)28(16-41)53-36)7-12-40(49-6)19(2)29-27(54-40)15-24-22-14-26(52-37-35(48)32(45)30(43)20(3)51-37)25-13-21(42)8-10-38(25,4)23(22)9-11-39(24,29)5/h18-20,22-37,41,43-48H,7-17H2,1-6H3
HMDB41537	N-Acetyldehydroanonaine	CC(=O)N1CCC2=CC3=C(OCO3)C3=C2C1=CC1=C3C=CC=C1	InChI=1S/C19H15NO3/c1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18/h2-5,8-9H,6-7,10H2,1H3
HMDB41536	Piperenol C	CC(=O)OC1C=C(COC(=O)C2=CC=CC=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C22H24O10/c1-12(23)29-18-10-17(11-28-22(27)16-8-6-5-7-9-16)19(30-13(2)24)21(32-15(4)26)20(18)31-14(3)25/h5-10,18-21H,11H2,1-4H3
HMDB41535	Piperenol A triacetate	CC(=O)OC1C=C(COC(=O)C2=CC=CC=C2)C(OC(C)=O)C(OC(=O)C2=CC=CC=C2)C1OC(C)=O	InChI=1S/C27H26O10/c1-16(28)34-22-14-21(15-33-26(31)19-10-6-4-7-11-19)23(35-17(2)29)25(24(22)36-18(3)30)37-27(32)20-12-8-5-9-13-20/h4-14,22-25H,15H2,1-3H3
HMDB41534	Ginsenoside Rh4	CC(C)=CC\C=C(/C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+
HMDB50290	TG(18:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,35,41,44,57H,4-15,17-18,20-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,28-25-,31-27-,35-32-,44-41-
HMDB50291	TG(18:1(9Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,33,59H,4-15,17-18,20-24,26,29-32,34-58H2,1-3H3/b19-16-,28-25-,33-27-
HMDB50292	TG(18:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,37,40,59H,4-15,17-18,20-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,40-37-
HMDB50293	TG(18:1(9Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,37,40,46,49,59H,4-15,17-18,20-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB50294	TG(18:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,55H,4-7,9-10,12-16,18-19,21-25,28,31-54H2,1-3H3/b11-8-,20-17-,29-26-,30-27-
HMDB50295	TG(18:1(9Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,35,38,55H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-
HMDB50296	TG(18:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,35,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33-34,36-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,35-32-
HMDB50297	TG(18:1(9Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,35,41,44,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,35-32-,44-41-
HMDB50298	TG(18:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,37,40,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,40-37-
HMDB50299	TG(18:1(9Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB54980	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,37,43,46,57H,4-15,17-18,20,22-23,26,28-29,32-34,36,38-42,44-45,47-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,37-35-,46-43-
HMDB54981	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-15,18,22-23,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-
HMDB54982	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,39,45,48,58H,4-7,9-10,12-15,18,22-23,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,48-45-
HMDB54983	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,38-39,41,45,48,58H,4-7,9-10,12-15,18,22-23,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-
HMDB54984	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,47,50,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-
HMDB54985	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB54986	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,39-40,42-43,49,52,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-38,41,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,52-49-
HMDB54987	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-
HMDB54988	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,36,39,45,48,59H,4-15,17-18,20,22-23,26-27,29-30,33-35,37-38,40-44,46-47,49-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,39-36-,48-45-
HMDB54989	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-15,18,21-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-
HMDB59031	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,41,44,46,48-50,52,54,57,60-62,64,66,83-85,90H,5-20,24,29-31,36,40,42-43,45,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB59030	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,40,42,44-45,47-48,52,55,59-60,64,81-83,88H,5-20,23-24,28-30,32,35,39,41,43,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB59037	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63,66,70,85-87,92H,5-8,10-12,14-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,64-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,70-66-/t85?,86-,87-/m1/s1
HMDB03911	3-Aminoisobutanoic acid	CC(CN)C(O)=O	InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
HMDB59036	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,46,48-50,52,54,57,60-61,64,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,47,51,53,55-56,58-59,62-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-/t83?,84-,85-/m1/s1
HMDB59035	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,47-48,52,55,59,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46,49-51,53-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,47-45-,52-48-,59-55-/t81?,82-,83-/m1/s1
HMDB59034	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,45,47-48,52,55,59,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46,49-51,53-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,47-45-,52-48-,59-55-/t81?,82-,83-/m1/s1
HMDB50746	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-
HMDB50747	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-
HMDB50744	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,35,58H,4-8,10-11,13-15,17,20,22-24,30-31,34,36-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-
HMDB50745	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,35,41,44,58H,4-8,10-11,13-15,17,20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-
HMDB50742	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-31,36,39,56H,4-8,10-11,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-
HMDB50743	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-
HMDB50740	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-
HMDB50741	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-32,57H,4-8,10-11,13-17,19,22,24,26,30,33-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-
HMDB50748	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-
HMDB50749	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,56H,4-7,10,13-16,19,22-24,29,32-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-
HMDB54676	TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,64H,4-15,18,21-24,27,30-32,35,38-40,43,46-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-
HMDB54677	TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50,53,64H,4-15,18,21-24,27,30-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-
HMDB54674	TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39-40,42-43,48,51,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-
HMDB54675	TG(22:4(7Z,10Z,13Z,16Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,36,39,59H,4-15,17-18,20-24,26-27,29-30,33-35,37-38,40-58H2,1-3H3/b19-16-,28-25-,32-31-,39-36-
HMDB54672	TG(22:4(7Z,10Z,13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB54673	TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39-40,42-43,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,41,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-
HMDB54670	TG(22:4(7Z,10Z,13Z,16Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30-32,36,38-39,41,58H,4-7,9-10,12-15,18,21-24,27,29,33-35,37,40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-
HMDB54671	TG(22:4(7Z,10Z,13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36,39-40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-
HMDB54678	TG(22:4(7Z,10Z,13Z,16Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-
HMDB54679	TG(22:4(7Z,10Z,13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-
HMDB48116	TG(14:1(9Z)/20:2n6/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-24,49H,4-12,14,17,19,21,25-48H2,1-3H3/b16-13-,18-15-,23-20-,24-22-
HMDB48117	TG(14:1(9Z)/20:2n6/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-24,51H,4-12,14,17,19,21,25-50H2,1-3H3/b16-13-,18-15-,23-20-,24-22-
HMDB48114	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,51H,4-14,16,19,21-24,26,28-31,33-34,36-50H2,1-3H3/b18-15-,20-17-,27-25-,35-32-
HMDB48115	TG(14:1(9Z)/20:2n6/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2)46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3/h13-18,22-23,47H,4-12,19-21,24-46H2,1-3H3/b16-13-,17-14-,18-15-,23-22-
HMDB48112	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,32,35-36,39,54H,4-6,8-9,11-14,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-
HMDB48113	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,32,35-36,39,41,44,54H,4-6,8-9,11-14,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-
HMDB48110	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,34,37,52H,4-6,8-9,11-14,21-23,27,31-33,35-36,38-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-
HMDB48111	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,34,36-37,39,52H,4-6,8-9,11-14,21-23,27,31-33,35,38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB48118	TG(14:1(9Z)/20:2n6/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24-25,27,51H,4-12,14,17,19-21,23,26,28-50H2,1-3H3/b16-13-,18-15-,24-22-,27-25-
HMDB48119	TG(14:1(9Z)/20:2n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,53H,4-13,16,19-22,27-52H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB09450	PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,38H,3-4,6,8-10,12,14-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-,26-24-/t38-/m1/s1
HMDB09451	PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,25,27,39H,3-4,6,8-10,12,14-16,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-,27-25-/t39-/m1/s1
HMDB09452	PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,25,27,39H,3-4,6,8-10,12,15,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-,22-20-,27-25-/t39-/m1/s1
HMDB09453	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,41H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,23-22-,29-27-/t41-/m1/s1
HMDB09454	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,27,29,41H,3-4,6,8-10,12,15,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-,23-22-,29-27-/t41-/m1/s1
HMDB09455	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,27,29,41H,3-4,6,8-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB09456	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,27,29,41H,3-4,6,8-10,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB09457	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,41H,3-4,6,8-10,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1
HMDB09458	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,27,29,41H,3-4,9-10,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB09459	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,41H,3-4,9-10,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1
HMDB56872	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB30911	2-Oxo-5,11(13)-eudesmadien-12,8-olide	CC1CC(=O)CC2(C)CC3OC(=O)C(=C)C3C=C12	InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,11,13H,2,4,6-7H2,1,3H3
HMDB30910	2alpha-Hydroxyalantolactone	CC1CC(O)CC2(C)CC3OC(=O)C(=C)C3C=C12	InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,10-11,13,16H,2,4,6-7H2,1,3H3
HMDB30913	Cepagenin	CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)OC11CC(O)C(C)CO1	InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3
HMDB30912	(3beta,5alpha)-4,4-Dimethylergosta-8,24(28)-dien-3-ol	CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3	InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-12-13-24-22-11-14-26-28(5,6)27(31)16-18-30(26,8)25(22)15-17-29(23,24)7/h19,21,23-24,26-27,31H,3,9-18H2,1-2,4-8H3
HMDB01201	Guanosine diphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
HMDB01200	N'-Formylkynurenine	NC(CC(=O)C1=CC=CC=C1NC=O)C(O)=O	InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)
HMDB30917	1-Hydroxyacorenone	CC(C)C1(O)C(=O)CC(C)C11CC=C(C)C(=O)C1	InChI=1S/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3
HMDB30916	2-Hydroxyacorenone	CC(C)C1C(O)CC(C)C11CC=C(C)C(=O)C1	InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11-12,14,16H,6-8H2,1-4H3
HMDB30919	Acorusdiol	CC(C)C1CCC2(C)C(O)CC(O)C(C)=C2C1=O	InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,16-17H,5-7H2,1-4H3
HMDB30918	1-Hydroxyepiacorone	CC(C)C1(O)C(=O)CC(C)C11CCC(C)C(=O)C1	InChI=1S/C15H24O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h9-11,18H,5-8H2,1-4H3
HMDB57213	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB57212	CL(18:0/18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37-39,41-42,77-79,84H,5-24,27-28,31-34,36,40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB01209	Allantoic acid	NC(=O)NC(NC(N)=O)C(O)=O	InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
HMDB57214	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,37-38,41-42,77-79,84H,5-24,27-28,31-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB57217	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-38,40-42,77-79,84H,5-24,27-28,31-35,39,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB57216	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,37-38,41-42,77-79,84H,5-24,27,31,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,32-28-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB40725	Fenchyl acetate	CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C	InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m1/s1
HMDB40724	4'-Hydroxy-5,6,7,8-tetramethoxyflavone	COC1=C(OC)C2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(OC)=C1OC	InChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3
HMDB40727	()-trans-Linalyl oxide	CC(C)(O)[C@@H]1CC[C@](C)(O1)C=C	InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
HMDB40726	()-cis-Linalyl oxide	CC(C)(O)[C@H]1CC[C@](C)(O1)C=C	InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
HMDB40721	Eugenol O-[3,4,5-Trihydroxybenzoyl-(-&gt;6)-b-D-glucopyranoside]	COC1=CC(CC=C)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C23H26O11/c1-3-4-11-5-6-15(16(7-11)31-2)33-23-21(29)20(28)19(27)17(34-23)10-32-22(30)12-8-13(24)18(26)14(25)9-12/h3,5-9,17,19-21,23-29H,1,4,10H2,2H3
HMDB40720	2-O-Acetylarbutin	CC(=O)OC1C(O)C(O)C(CO)OC1OC1=CC=C(O)C=C1	InChI=1S/C14H18O8/c1-7(16)20-13-12(19)11(18)10(6-15)22-14(13)21-9-4-2-8(17)3-5-9/h2-5,10-15,17-19H,6H2,1H3
HMDB40723	(-)-Gossypol	CC(C)C1=C(O)C(O)=C(C=O)C2=C(O)C(=C(C)C=C12)C1=C(O)C2=C(C=C1C)C(C(C)C)=C(O)C(O)=C2C=O	InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
HMDB40722	7-Hydroxy-3',4',5,6,8-pentamethoxyflavone	COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2OC	InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-17(25-3)19(26-4)16(22)20(27-5)18(15)28-13/h6-9,22H,1-5H3
HMDB40729	3,7-Dimethyl-1,6-octadien-3-ol; (S)-form, O-(6-O-Malonyl-b-D-glucopyranoside)	CC(C)=CCCC(C)(OC1OC(COC(=O)CC(O)=O)C(O)C(O)C1O)C=C	InChI=1S/C19H30O9/c1-5-19(4,8-6-7-11(2)3)28-18-17(25)16(24)15(23)12(27-18)10-26-14(22)9-13(20)21/h5,7,12,15-18,23-25H,1,6,8-10H2,2-4H3,(H,20,21)
HMDB40728	Neolicuroside	OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+
HMDB45539	TG(20:0/16:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-
HMDB45538	TG(20:0/16:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB49649	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB01536	Formamide	NC=O	InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
HMDB43269	TG(15:0/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,55H,4-15,17-18,20-24,28-30,32-54H2,1-3H3/b19-16-,27-25-,31-26-
HMDB43268	TG(15:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,37,40,53H,4-15,17-18,20-24,28,32-36,38-39,41-52H2,1-3H3/b19-16-,27-25-,29-26-,31-30-,40-37-
HMDB43265	TG(15:0/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,35,51H,4-15,17-18,20-24,29-31,33-34,36-50H2,1-3H3/b19-16-,27-25-,28-26-,35-32-
HMDB49640	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,27-28,30-31,33,37,40,58H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,33-27-,40-37-
HMDB43267	TG(15:0/18:1(9Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,53H,4-15,17-18,20-24,28,32-52H2,1-3H3/b19-16-,27-25-,29-26-,31-30-
HMDB43266	TG(15:0/18:1(9Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,22,25-26,28,52H,4-12,14-15,17-21,23-24,27,29-51H2,1-3H3/b16-13-,25-22-,28-26-
HMDB43261	TG(15:0/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-27,29-31,37,40,53H,4-24,28,32-36,38-39,41-52H2,1-3H3/b27-25-,29-26-,31-30-,40-37-
HMDB43260	TG(15:0/18:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-27,29,53H,4-24,28,30-52H2,1-3H3/b27-25-,29-26-
HMDB43263	TG(15:0/18:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h25-27,33,57H,4-24,28-32,34-56H2,1-3H3/b27-25-,33-26-
HMDB43262	TG(15:0/18:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h25-27,31,55H,4-24,28-30,32-54H2,1-3H3/b27-25-,31-26-
HMDB41439	N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide	CN(\C=C\C1=CC=CC=C1)C(=O)C1OC1C1=CC=CC=C1	InChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/b13-12+
HMDB47979	TG(14:1(9Z)/20:1(11Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,52H,4-14,16-17,19,21-22,25,27-51H2,1-3H3/b18-15-,23-20-,26-24-
HMDB47978	TG(14:1(9Z)/20:1(11Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,20,23-25,50H,4-14,16-17,19,21-22,26-49H2,1-3H3/b18-15-,23-20-,25-24-
HMDB47975	TG(14:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,32,35,41,44,54H,4-6,8-9,11-14,17,20-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,35-32-,44-41-
HMDB47974	TG(14:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,32,35,54H,4-6,8-9,11-14,17,20-23,27,31,33-34,36-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,35-32-
HMDB47977	TG(14:1(9Z)/20:1(11Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14-15,17-18,23-24,48H,4-13,16,19-22,25-47H2,1-3H3/b17-14-,18-15-,24-23-
HMDB47976	TG(14:1(9Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,51H,4-14,16-17,19-24,26,28-50H2,1-3H3/b18-15-,27-25-
HMDB47971	TG(14:1(9Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,31,34,50H,4-6,8-9,11-14,17,20-23,28-30,32-33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,34-31-
HMDB47970	TG(14:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,50H,4-6,8-9,11-14,17,20-23,28-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-
HMDB47973	TG(14:1(9Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,36,39,52H,4-6,8-9,11-14,17,20-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,30-29-,39-36-
HMDB47972	TG(14:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,52H,4-6,8-9,11-14,17,20-23,27,31-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,30-29-
HMDB35989	Thymol methyl ether	COC1=CC(C)=CC=C1C(C)C	InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
HMDB35988	Ganoderic acid F	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)
HMDB35981	Hebevinoside V	COC1C=C2C(CCC(OC3OCC(OC(C)=O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(O)C(O)C1O	InChI=1S/C46H74O14/c1-23(2)13-12-14-24(3)34-30(58-42-39(53)37(51)35(49)32(59-42)21-55-25(4)47)20-46(10)40-29(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-38(52)36(50)31(22-56-41)57-26(5)48/h13,19,24,27,29-42,49-53H,12,14-18,20-22H2,1-11H3
HMDB35980	3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21H,8-14H2,1-7H3,(H,36,37)
HMDB35983	Ganoderal A	CC(CC\C=C(/C)C=O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C30H44O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25H,8,10,12-13,15-18H2,1-7H3/b20-9+
HMDB35982	Hebevinoside III	CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(O)C(O)C1O	InChI=1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-36(51)34(49)33(48)29(55-39)20-52-23(4)44)18-43(9)37-26(45)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-35(50)32(47)27(46)19-53-38/h11,17,22,24,26-39,45-51H,10,12-16,18-20H2,1-9H3
HMDB35985	Ganoderic acid G	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)
HMDB35984	Zapoterin	CC12CC(O)C3C4(C)C=CC(=O)OC(C)(C)C4CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1	InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3
HMDB35987	Ganoderic acid H	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)
HMDB35986	Ganoderic acid K	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19-22,27,35-36H,9-14H2,1-8H3,(H,39,40)
HMDB51910	TG(22:1(13Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,49,52,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB51911	TG(22:1(13Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-
HMDB51912	TG(22:1(13Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,39,42,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-,42-39-
HMDB51913	TG(22:1(13Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,61H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-
HMDB51914	TG(22:1(13Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,61H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB51915	TG(22:1(13Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,40,43,63H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,43-40-
HMDB51916	TG(22:1(13Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,40,43,49,52,63H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB51917	TG(24:1(15Z)/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,62H,4-23,28-61H2,1-3H3/b26-24-,27-25-
HMDB51918	TG(24:1(15Z)/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,33,57H,4-19,21-22,25,28-32,34-56H2,1-3H3/b23-20-,26-24-,33-27-
HMDB51919	TG(24:1(15Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,24-26,32,37,39,56H,4-16,18-19,21-23,27-31,33-36,38,40-55H2,1-3H3/b20-17-,26-24-,32-25-,39-37-
HMDB01534	5-Formiminotetrahydrofolic acid	NC1=NC2=C(N(C=N)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1	InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)
HMDB34168	Toluene	CC1=CC=CC=C1	InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
HMDB34169	Methyl N-methylanthranilate	CNC1=CC=CC=C1C(=O)OC	InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
HMDB39187	Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside	COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C35H30O22/c1-52-35-30(57-34(51)14-8-21(42)27(47)22(43)9-14)29(56-33(50)13-6-19(40)26(46)20(41)7-13)28(55-32(49)12-4-17(38)25(45)18(39)5-12)23(54-35)10-53-31(48)11-2-15(36)24(44)16(37)3-11/h2-9,23,28-30,35-47H,10H2,1H3
HMDB39186	2,3,4,6-Tetragalloyl-D-glucopyranose	OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(47)52-9-22-27(54-31(48)11-3-16(37)24(44)17(38)4-11)28(55-32(49)12-5-18(39)25(45)19(40)6-12)29(34(51)53-22)56-33(50)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-46,51H,9H2
HMDB39181	2,6-Digalloylglucose	OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(29)32-5-12-15(27)16(28)17(20(31)33-12)34-19(30)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-28,31H,5H2
HMDB39180	Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside	COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3
HMDB39183	Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside	COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C28H26O18/c1-42-28-22(38)24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3
HMDB39182	1,2,6-Trigalloyl-beta-D-glucopyranose	OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC1COC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2
HMDB34160	()-Citronellyl acetate	CC(CCOC(C)=O)CCC=C(C)C	InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
HMDB34161	2-Methylpropyl butanoate	CCCC(=O)OCC(C)C	InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
HMDB34162	Pentyl butanoate	CCCCCOC(=O)CCC	InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
HMDB34163	3-Methylbutyl formate	CC(C)CCOC=O	InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
HMDB34164	3-Methylbutyl propanoate	CCC(=O)OCCC(C)C	InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
HMDB34165	Propyl hexanoate	CCCCCC(=O)OCCC	InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
HMDB34166	2-Methyl-1-butanol, 9CI; ()-form, Ac	CCC(C)COC(C)=O	InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
HMDB34167	1,9-Heptadecadiene-4,6-diyne-3,8-diol, 9CI; (3R,8S,9Z)-form, 3-Ac	CCCCCCC\C=C\C(O)C#CC#CC(OC(C)=O)C=C	InChI=1S/C19H26O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h5,11,14,18-19,21H,2,4,6-10H2,1,3H3/b14-11+
HMDB38858	Oolongtheanin	OC1CC2=C(OC1C1=CC(=O)C3(O)OC4=C(C13)C(=CC(O)=C4O)C1OC3=C(CC1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C3)C=C(O)C=C2O	InChI=1S/C36H28O17/c37-12-3-18(39)14-7-23(44)32(50-24(14)5-12)17-10-27(45)36(49)29(17)28-16(8-22(43)31(47)34(28)53-36)33-26(9-15-19(40)4-13(38)6-25(15)51-33)52-35(48)11-1-20(41)30(46)21(42)2-11/h1-6,8,10,23,26,29,32-33,37-44,46-47,49H,7,9H2
HMDB38859	beta-D-Xylopyranosyl-(1-&gt;5)-alpha-L-arabinofuranosyl-(1-&gt;3)-L-arabinose	OC1C(O)C(OC2C(O)COC(O)C2O)OC1COC1OCC(O)C(O)C1O	InChI=1S/C15H26O13/c16-4-1-25-14(9(20)7(4)18)26-3-6-8(19)10(21)15(27-6)28-12-5(17)2-24-13(23)11(12)22/h4-23H,1-3H2
HMDB38850	Cycasin	CN(=O)=NCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3/b10-9+
HMDB38851	beta-D-Galactopyranosyl-(1-&gt;2)-[beta-D-galactopyranosyl-(1-&gt;4)]-D-galactose	OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)30-16(29)15(13(14)28)34-18-12(27)10(25)8(23)5(2-20)32-18/h4-29H,1-3H2
HMDB38852	beta-D-Galactopyranosyl-(1-&gt;4)-beta-D-galactopyranosyl-(1-&gt;4)-D-galactose	OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2
HMDB38853	beta-D-Galactopyranosyl-(1-&gt;3)-beta-D-galactopyranosyl-(1-&gt;6)-D-galactose	OCC1OC(OC2C(O)C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(21)11(25)13(27)18(33-4)34-15-9(23)5(2-20)32-17(14(15)28)30-3-6-8(22)10(24)12(26)16(29)31-6/h4-29H,1-3H2
HMDB38854	3-O-beta-D-Galactopyranosyl-L-arabinose	OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C=O.OCC1OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O	InChI=1S/3C11H20O10/c12-1-4-5(14)6(15)7(16)11(20-4)21-9-3(13)2-19-10(18)8(9)17;12-1-3-5(14)6(15)7(16)11(20-3)21-9-4(2-13)19-10(18)8(9)17;12-1-4(15)10(5(16)2-13)21-11-9(19)8(18)7(17)6(3-14)20-11/h2*3-18H,1-2H2;1,4-11,13-19H,2-3H2
HMDB38855	3-O-alpha-L-Arabinopyranosyl-L-arabinose	OCC(O)C(OC1OCC(O)C(O)C1O)C(O)C=O.OCC1OC(O)C(O)C1OC1OCC(O)C(O)C1O.OC1COC(OC2C(O)COC(O)C2O)C(O)C1O	InChI=1S/3C10H18O9/c11-1-4-8(7(15)9(16)18-4)19-10-6(14)5(13)3(12)2-17-10;11-3-1-18-10(6(14)5(3)13)19-8-4(12)2-17-9(16)7(8)15;11-1-4(13)9(5(14)2-12)19-10-8(17)7(16)6(15)3-18-10/h2*3-16H,1-2H2;1,4-10,12-17H,2-3H2
HMDB38856	4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone	OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(=C(O)C=C2O)C1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1	InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
HMDB38857	Epicatechin-(4beta-&gt;8)-epicatechin-(2beta-&gt;7,4beta-&gt;8)-catechin	O[C@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C1=C(O[C@@]3(OC4=C([C@H]1[C@H]3O)C(O)=CC(O)=C4[C@@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC(O)=C3)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1)C=C2O	InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)60-41(16-2-5-21(48)25(52)8-16)39(58)37(33)34-28(55)13-29(56)35-38-36-32(62-45(44(38)59,63-43(34)35)17-3-6-22(49)26(53)9-17)14-23(50)19-12-30(57)40(61-42(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38+,39+,40+,41+,44+,45+/m0/s1
HMDB36988	N-Methoxycarbonyl-N-nornuciferine	COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC1=C3C=CC=C1	InChI=1S/C20H21NO4/c1-23-16-11-13-8-9-21(20(22)25-3)15-10-12-6-4-5-7-14(12)18(17(13)15)19(16)24-2/h4-7,11,15H,8-10H2,1-3H3
HMDB36989	Romucosine B	COC(=O)N1CCC2=C(Cl)C(O)=C(OC)C3=C2C1CC1=C3C=CC=C1	InChI=1S/C19H18ClNO4/c1-24-18-15-11-6-4-3-5-10(11)9-13-14(15)12(16(20)17(18)22)7-8-21(13)19(23)25-2/h3-6,13,22H,7-9H2,1-2H3
HMDB36980	Zinc sulfate heptahydrate	O.O.O.O.O.O.O.[Zn++].[O-]S([O-])(=O)=O	InChI=1S/H2O4S.7H2O.Zn/c1-5(2,3)4;;;;;;;;/h(H2,1,2,3,4);7*1H2;/q;;;;;;;;+2/p-2
HMDB36981	Atrovirinone	COC(=O)C1=C(OC2=C(OC)C(=O)C(CC=C(C)C)=C(CC=C(C)C)C2=O)C=C(O)C=C1O	InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3
HMDB36982	Atrovirisidone	COC1=C(O)C(CC=C(C)C)=C(CC=C(C)C)C2=C1OC1=CC(O)=CC(O)=C1C(=O)O2	InChI=1S/C24H26O7/c1-12(2)6-8-15-16(9-7-13(3)4)21-23(22(29-5)20(15)27)30-18-11-14(25)10-17(26)19(18)24(28)31-21/h6-7,10-11,25-27H,8-9H2,1-5H3
HMDB36983	Garcimangosone A	CC(C)=CCC1=C2C(=O)C3=C(OC2=C(O)C2=C1OC(C)(C)C=C2)C=C1OC(C)(C)C=CC1=C3O	InChI=1S/C28H28O6/c1-14(2)7-8-16-20-24(31)21-19(13-18-15(22(21)29)9-11-27(3,4)33-18)32-26(20)23(30)17-10-12-28(5,6)34-25(16)17/h7,9-13,29-30H,8H2,1-6H3
HMDB36984	Garcimangosone C	CC(C)=CCC1=C(O)C2=C(OC3=C(C2=O)C2=C(OC(C)(C)C(O)C2)C=C3O)C=C1O	InChI=1S/C23H24O7/c1-10(2)5-6-11-13(24)8-16-19(20(11)27)21(28)18-12-7-17(26)23(3,4)30-15(12)9-14(25)22(18)29-16/h5,8-9,17,24-27H,6-7H2,1-4H3
HMDB36985	3,23-Dihydroxy-12-oleanene-28,30-dioic acid; 3b-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 28-O-[a-L-rhamnopyranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;3)]-[2R-methylbutanoyl-(-&gt;4)]-b-D-fucopyranosyl] ester, 30-Me ester	CCC(C)C(=O)OC1C(C)OC(OC(=O)C23CCC(C)(CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C2(C)CC3)C(=O)OC)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C66H104O31/c1-11-26(2)53(83)92-47-28(4)88-58(51(96-54-44(78)39(73)36(70)27(3)87-54)50(47)95-56-46(80)41(75)38(72)32(24-68)90-56)97-60(85)66-20-18-61(5,59(84)86-10)22-30(66)29-12-13-34-62(6)16-15-35(63(7,25-69)33(62)14-17-65(34,9)64(29,8)19-21-66)91-57-49(43(77)42(76)48(93-57)52(81)82)94-55-45(79)40(74)37(71)31(23-67)89-55/h12,26-28,30-51,54-58,67-80H,11,13-25H2,1-10H3,(H,81,82)
HMDB36986	1,4-Dimethoxyglucobrassicin	CON1C=C(C\C(SC2OC(CO)C(O)C(O)C2O)=N/OS(O)(=O)=O)C2=C1C=CC=C2OC	InChI=1S/C18H24N2O11S2/c1-28-11-5-3-4-10-14(11)9(7-20(10)29-2)6-13(19-31-33(25,26)27)32-18-17(24)16(23)15(22)12(8-21)30-18/h3-5,7,12,15-18,21-24H,6,8H2,1-2H3,(H,25,26,27)/b19-13+
HMDB36987	Romucosine A	COC(=O)N1CCC2=CC(O)=C(OC)C3=C2C1CC1=C3C=CC=C1	InChI=1S/C19H19NO4/c1-23-18-15(21)10-12-7-8-20(19(22)24-2)14-9-11-5-3-4-6-13(11)17(18)16(12)14/h3-6,10,14,21H,7-9H2,1-2H3
HMDB33756	Albanin C	CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2CC(O3)C(C)(C)O)C1=O)C1=CC=C(O)C=C1O	InChI=1S/C25H26O7/c1-12(2)5-7-15-22(29)21-18(28)11-19-16(10-20(31-19)25(3,4)30)24(21)32-23(15)14-8-6-13(26)9-17(14)27/h5-6,8-9,11,20,26-28,30H,7,10H2,1-4H3
HMDB33757	Marcanine A	CC1=CC(=O)NC2=C1C(=O)C1=C(C=CC=C1)C2=O	InChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16)
HMDB33754	Albanin H	CC(C)=CCC1=C(OC2=C(C(O)=CC(O)=C2C2CC(C)(CC(C)=C2)\C=C\C2=C3OC(=C(CC=C(C)C)C(=O)C3=C(O)C=C2O)C2=CC=C(O)C=C2O)C1=O)C1=CC=C(O)C=C1O	InChI=1S/C50H48O12/c1-24(2)7-11-33-44(59)42-39(57)20-37(55)32(48(42)61-46(33)30-13-9-28(51)18-35(30)53)15-16-50(6)22-26(5)17-27(23-50)41-38(56)21-40(58)43-45(60)34(12-8-25(3)4)47(62-49(41)43)31-14-10-29(52)19-36(31)54/h7-10,13-21,27,51-58H,11-12,22-23H2,1-6H3/b16-15+
HMDB33755	2-Butyl-1H-benzimidazole	CCCCC1=NC2=CC=CC=C2N1	InChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)
HMDB33752	3-(2-Hydroxyphenyl)propanoic acid	OC(=O)CCC1=C(O)C=CC=C1	InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
HMDB33753	Glycerol 1,3-didodecanoate 2-decanoate	CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC	InChI=1S/C37H70O6/c1-4-7-10-13-16-18-21-23-26-29-35(38)41-32-34(43-37(40)31-28-25-20-15-12-9-6-3)33-42-36(39)30-27-24-22-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3
HMDB33750	D-Glycero-D-galacto-heptitol	OCC(O)C(O)C(O)C(O)C(O)CO	InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2
HMDB33751	Quercitrin	C[C@@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
HMDB46374	TG(22:0/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-59H2,1-3H3/b12-9-,21-18-,34-27-
HMDB46375	TG(22:0/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,40,43,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,34-27-,43-40-
HMDB46376	TG(22:0/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,39-36-
HMDB46377	TG(22:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-
HMDB46370	TG(22:0/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,62H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,39-36-,48-45-
HMDB46371	TG(22:0/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,64H,4-15,17-18,20-24,26-27,29-63H2,1-3H3/b19-16-,28-25-
HMDB33758	L-Agaritine	NC(CCC(=O)NNC1=CC=C(CO)C=C1)C(O)=O	InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)
HMDB33759	Dihydroformononetin	[H]OC1=C([H])C2=C(C([H])=C1[H])C(=O)C([H])(C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])O2	InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
HMDB31668	Dihydrodeoxy-8-epiaustdiol	CC1=CC2=C(C)C(=O)C(C)(O)C(O)C2=CO1	InChI=1S/C12H14O4/c1-6-4-8-7(2)10(13)12(3,15)11(14)9(8)5-16-6/h4-5,11,14-15H,1-3H3
HMDB31669	Captafol	ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O	InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
HMDB34298	Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-(9Z-octadecenoate)	CCCCCCCC\C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,54H,4-15,18,21-24,31-53H2,1-3H3/b19-16+,20-17+,28-25+,29-26+,30-27+
HMDB34299	Patulin	OC1OCC=C2OC(=O)C=C12	InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
HMDB34296	11-Eicosenoic acid	CCCCCCCCC=CCCCCCCCCCC(O)=O	InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9+
HMDB34297	Ricinoleic acid	CCCCCCC(O)C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-
HMDB31666	Diethyl sulfide	CCSCC	InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
HMDB31667	Nor-psi-tropine	OC1CC2CCC(C1)N2	InChI=1S/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2
HMDB34292	Nb-Methyltetrahydroharmol	CC1N(C)CCC2=C1NC1=C2C=CC(O)=C1	InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3
HMDB34293	Asperagenin	CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)(O)CO1	InChI=1S/C27H44O5/c1-15-23-22(32-27(15)10-9-24(2,30)14-31-27)13-19-17-12-21(29)20-11-16(28)5-7-25(20,3)18(17)6-8-26(19,23)4/h15-23,28-30H,5-14H2,1-4H3
HMDB34290	1,28-Octacosanediol	OCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C28H58O2/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30/h29-30H,1-28H2
HMDB31663	3-(3-Methylbutylidene)-1(3H)-isobenzofuranone	CC(C)C\C=C1/OC(=O)C2=CC=CC=C12	InChI=1S/C13H14O2/c1-9(2)7-8-12-10-5-3-4-6-11(10)13(14)15-12/h3-6,8-9H,7H2,1-2H3/b12-8-
HMDB44282	TG(16:0/18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,30,33,48H,4-14,17,20-23,26-29,31-32,34-47H2,1-3H3/b18-15-,19-16-,25-24-,33-30-
HMDB44283	TG(16:0/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,32,35,50H,4-15,17-18,21-22,24,27-31,33-34,36-49H2,1-3H3/b19-16-,23-20-,26-25-,35-32-
HMDB44280	TG(16:0/18:3(6Z,9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,38,41,56H,4-16,18-19,21-25,27-30,32-37,39-40,42-55H2,1-3H3/b20-17-,31-26-,41-38-
HMDB35605	3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid	CC(C(O)C\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+
HMDB44286	TG(16:0/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,36,39,54H,4-16,18-19,21-24,28,30-35,37-38,40-53H2,1-3H3/b20-17-,27-25-,29-26-,39-36-
HMDB44287	TG(16:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,36,38-39,41,54H,4-16,18-19,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB38588	Dioscoretine	CC(CC(O)=O)CC1(O)CC2CCC1CN2C	InChI=1S/C13H23NO3/c1-9(5-12(15)16)6-13(17)7-11-4-3-10(13)8-14(11)2/h9-11,17H,3-8H2,1-2H3,(H,15,16)
HMDB38589	Brassicanal C	COS(=O)C1=C(C=O)C2=C(N1)C=CC=C2	InChI=1S/C10H9NO3S/c1-14-15(13)10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3
HMDB38586	O-Methylsomniferine	COC1=CC=C2C3CC4=C5C(OC1C25CC(N3C)C1=CC2(O)C3CC5=C6C(OC(C1=O)C26CCN3C)=C(OC)C=C5)=C(OC)C=C4	InChI=1S/C37H38N2O7/c1-38-13-12-36-29-19-7-10-25(43-4)32(29)46-34(36)30(40)20(16-37(36,41)27(38)15-19)23-17-35-21-8-11-26(44-5)33(35)45-31-24(42-3)9-6-18(28(31)35)14-22(21)39(23)2/h6-11,16,22-23,27,33-34,41H,12-15,17H2,1-5H3
HMDB38587	Hericerin	COC1=CC2=C(C(=O)N(CCC3=CC=CC=C3)C2)C(O)=C1C\C=C(\C)CCC=C(C)C	InChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-23-24(31-4)17-22-18-28(27(30)25(22)26(23)29)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3/b20-13-
HMDB38584	Piperolactam C	COC1=C(OC)C(OC)=C2C3=C1C(=O)NC3=CC1=CC=CC=C21	InChI=1S/C18H15NO4/c1-21-15-12-10-7-5-4-6-9(10)8-11-13(12)14(18(20)19-11)16(22-2)17(15)23-3/h4-8H,1-3H3,(H,19,20)
HMDB38585	Somniferine	COC1=CC=C2C3CC4=C5C(OC1C25CC(N3C)C1=CC2(O)C3CC5=C6C(OC(C1=O)C26CCN3C)=C(O)C=C5)=C(OC)C=C4	InChI=1S/C36H36N2O7/c1-37-12-11-35-28-18-5-8-23(39)30(28)44-33(35)29(40)19(15-36(35,41)26(37)14-18)22-16-34-20-7-10-25(43-4)32(34)45-31-24(42-3)9-6-17(27(31)34)13-21(20)38(22)2/h5-10,15,21-22,26,32-33,39,41H,11-14,16H2,1-4H3
HMDB38582	5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one	COCC(O)CC(=O)C1=C(N)C2=C(OC(C)(C)CC2=O)C=C1	InChI=1S/C16H21NO5/c1-16(2)7-12(20)14-13(22-16)5-4-10(15(14)17)11(19)6-9(18)8-21-3/h4-5,9,18H,6-8,17H2,1-3H3
HMDB38583	Piperolactam D	COC1=C(OC)C(O)=C2C3=C1C(=O)NC3=CC1=CC=CC=C21	InChI=1S/C17H13NO4/c1-21-15-13-12-10(18-17(13)20)7-8-5-3-4-6-9(8)11(12)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)
HMDB38580	Cibaric acid	OCC\C=C\C(\O)=C\C(=O)C\C=C\CCCCCCCC(O)=O	InChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)/b7-5+,12-9+,17-15-
HMDB38581	Dihydroxyfumitremorgin C	COC1=CC2=C(C=C1)C1=C(N2)C(C=C(C)C)N2C(=O)C3CCCN3C(=O)C2(O)C1O	InChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3
HMDB42617	TG(14:0/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,33,36,52H,4-15,18,21-23,27,30,32,34-35,37-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,36-33-
HMDB42616	TG(14:0/20:3n6/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-30,32,53H,4-15,17-18,21-22,25,28,31,33-52H2,1-3H3/b19-16-,23-20-,26-24-,29-27-,32-30-
HMDB42615	TG(14:0/20:3n6/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,35,37,58H,4-16,18-19,21-23,28-34,36,38-57H2,1-3H3/b20-17-,26-24-,27-25-,37-35-
HMDB42614	TG(14:0/20:3n6/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,33,35,56H,4-16,18-19,21-23,28-32,34,36-55H2,1-3H3/b20-17-,26-24-,27-25-,35-33-
HMDB42613	TG(14:0/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,30-33,38,41,54H,4-16,18-19,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB42612	TG(14:0/20:3n6/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,31,33,54H,4-16,18-19,21-23,28-30,32,34-53H2,1-3H3/b20-17-,26-24-,27-25-,33-31-
HMDB42611	TG(14:0/20:3n6/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-29,31,52H,4-15,17-18,20-23,27,30,32-51H2,1-3H3/b19-16-,26-24-,28-25-,31-29-
HMDB42610	TG(14:0/20:3n6/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,52H,4-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-
HMDB42619	TG(14:0/20:3n6/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,54H,4-15,18,21-23,28-29,34-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB42618	TG(14:0/20:3n6/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,30,32,53H,4-13,15,18,20-22,27-29,31,33-52H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,32-30-
HMDB33292	8-Hydroxy-3,9-dimethoxypterocarpan	COC1=CC2=C(C=C1)C1OC3=C(C=C(O)C(OC)=C3)C1CO2	InChI=1S/C17H16O5/c1-19-9-3-4-10-14(5-9)21-8-12-11-6-13(18)16(20-2)7-15(11)22-17(10)12/h3-7,12,17-18H,8H2,1-2H3
HMDB33291	3,8-Dihydroxy-9-methoxypterocarpan	COC1=CC2=C(C=C1O)C1COC3=C(C=CC(O)=C3)C1O2	InChI=1S/C16H14O5/c1-19-15-6-14-10(5-12(15)18)11-7-20-13-4-8(17)2-3-9(13)16(11)21-14/h2-6,11,16-18H,7H2,1H3
HMDB02581	Taurocholic acid 3-sulfate	[H][C@]12C[C@@H](O)C3C4CCC([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)[C@@H](O)CC3[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O	InChI=1S/C26H45NO10S2/c1-15(4-7-23(30)27-10-11-38(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(37-39(34,35)36)12-16(25)13-21(24)28/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)/t15-,16+,17-,18?,19?,20?,21-,22+,24?,25+,26-/m1/s1
HMDB33294	5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone; O5-Me	COC(CCC1=CC=C(O)C=C1)CC(=O)CCC1=CC=CC=C1	InChI=1S/C20H24O3/c1-23-20(14-10-17-7-11-18(21)12-8-17)15-19(22)13-9-16-5-3-2-4-6-16/h2-8,11-12,20-21H,9-10,13-15H2,1H3
HMDB45889	TG(20:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,33-34,36,42,45,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31-32,35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-30-,36-34-,45-42-
HMDB45888	TG(20:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,33-34,36,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31-32,35,37-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-30-,36-34-
HMDB45887	TG(20:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,31-32,37,40,57H,4-8,10-11,13-17,19,22,24-26,28,30,33-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,23-20-,31-27-,32-29-,40-37-
HMDB45886	TG(20:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,31-32,57H,4-8,10-11,13-17,19,22,24-26,28,30,33-56H2,1-3H3/b12-9-,21-18-,23-20-,31-27-,32-29-
HMDB45885	TG(20:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,32,34-35,39,42,48,51,61H,4-15,17-18,20,22-23,26-27,29,31,33,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,35-30-,42-39-,51-48-
HMDB45884	TG(20:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,32,34-35,39,42,61H,4-15,17-18,20,22-23,26-27,29,31,33,36-38,40-41,43-60H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,35-30-,42-39-
HMDB45883	TG(20:0/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,35,61H,4-15,17-18,20,22-23,26-27,29,31-34,36-60H2,1-3H3/b19-16-,24-21-,28-25-,35-30-
HMDB45882	TG(20:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,33-34,36,42,45,59H,4-15,17-18,20,22-23,26-27,29,31-32,35,37-41,43-44,46-58H2,1-3H3/b19-16-,24-21-,28-25-,33-30-,36-34-,45-42-
HMDB45881	TG(20:0/18:2(9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,33-34,36,59H,4-15,17-18,20,22-23,26-27,29,31-32,35,37-58H2,1-3H3/b19-16-,24-21-,28-25-,33-30-,36-34-
HMDB45880	TG(20:0/18:2(9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,30,33,58H,4-13,15-16,18-20,22,25,27-29,31-32,34-57H2,1-3H3/b17-14-,24-21-,26-23-,33-30-
HMDB32409	Methyl 3-mercaptobutanoate	COC(=O)CC(C)S	InChI=1S/C5H10O2S/c1-4(8)3-5(6)7-2/h4,8H,3H2,1-2H3
HMDB32408	Methyl isopentyl disulfide	CSSCCC(C)C	InChI=1S/C6H14S2/c1-6(2)4-5-8-7-3/h6H,4-5H2,1-3H3
HMDB39459	Di-2-propenyl pentasulfide	C=CCSSSSSCC=C	InChI=1S/C6H10S5/c1-3-5-7-9-11-10-8-6-4-2/h3-4H,1-2,5-6H2
HMDB39458	Di-2-propenyl heptasulfide	C=CCSSSSSSSCC=C	InChI=1S/C6H10S7/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-6H2
HMDB39453	Muricin H	CCCCCCCC(O)C(O)CCCCC(O)C1CCC(CCCCCCCCCCCCC2=CC(C)OC2=O)O1	InChI=1S/C35H64O6/c1-3-4-5-12-17-22-31(36)32(37)23-18-19-24-33(38)34-26-25-30(41-34)21-16-14-11-9-7-6-8-10-13-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3
HMDB39452	Curcumin dimer 3	COC1=CC(\C=C\C(\O)=C\C(=O)C2C(O\C(=C/C(=O)/C=C/C3=CC(OC)=C(O)C=C3)\C\2=C\C2=CC(OC)=C(O)C=C2)C2=CC=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C42H38O12/c1-50-37-18-24(7-13-31(37)45)5-11-28(43)22-35(49)41-30(17-26-9-15-33(47)39(20-26)52-3)36(54-42(41)27-10-16-34(48)40(21-27)53-4)23-29(44)12-6-25-8-14-32(46)38(19-25)51-2/h5-23,41-43,45-48H,1-4H3/b11-5+,12-6+,28-22-,30-17-,36-23-
HMDB39451	Curcumin dimer 2	COC1=C2OC(C(C(=O)\C=C(/O)\C=C\C3=CC=C(O)C(OC)=C3)C2=CC(\C=C\C(=O)\C=C(/O)\C=C\C2=CC=C(O)C(OC)=C2)=C1)C1=CC=C(O)C(OC)=C1	InChI=1S/C42H38O12/c1-50-36-18-24(8-14-32(36)46)5-11-28(43)22-29(44)13-7-26-17-31-40(35(49)23-30(45)12-6-25-9-15-33(47)37(19-25)51-2)41(54-42(31)39(20-26)53-4)27-10-16-34(48)38(21-27)52-3/h5-23,40-41,43,45-48H,1-4H3/b11-5+,12-6+,13-7+,28-22-,30-23-
HMDB39450	Curcumin dimer 1	COC1=CC(\C=C\C(\O)=C\C(=O)C2C(OC(\C=C\C3=CC=C(O)C(OC)=C3)=C2C(=O)\C=C\C2=CC=C(O)C(OC)=C2)C2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C42H38O12/c1-50-36-19-24(6-13-29(36)44)5-12-28(43)23-34(49)41-40(33(48)16-9-25-7-14-30(45)37(20-25)51-2)35(18-10-26-8-15-31(46)38(21-26)52-3)54-42(41)27-11-17-32(47)39(22-27)53-4/h5-23,41-47H,1-4H3/b12-5+,16-9+,18-10+,28-23-
HMDB39457	Dipiperamide C	O=C(C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(\C=C\C2=CC3=C(OCO3)C=C2)C1C(=O)N1CCCCC1)N1CCCC1	InChI=1S/C33H36N2O6/c36-32(34-14-2-1-3-15-34)30-24(10-6-22-8-12-26-28(18-22)40-20-38-26)25(31(30)33(37)35-16-4-5-17-35)11-7-23-9-13-27-29(19-23)41-21-39-27/h6-13,18-19,24-25,30-31H,1-5,14-17,20-21H2/b10-6+,11-7+
HMDB32404	6-Methyl-5-hepten-2-one propyleneglycol acetal	CC1COC(C)(CCC=C(C)C)O1	InChI=1S/C11H20O2/c1-9(2)6-5-7-11(4)12-8-10(3)13-11/h6,10H,5,7-8H2,1-4H3
HMDB32407	Methyl hexyl ether	CCCCCCOC	InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3
HMDB39454	Argenteane	COC1=C(O)C(=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1)C1=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=CC(OC)=C1O	InChI=1S/C40H46O8/c1-23(11-27-7-9-33-35(17-27)47-21-45-33)25(3)13-29-15-31(39(41)37(19-29)43-5)32-16-30(20-38(44-6)40(32)42)14-26(4)24(2)12-28-8-10-34-36(18-28)48-22-46-34/h7-10,15-20,23-26,41-42H,11-14,21-22H2,1-6H3
HMDB38328	Bitalin A; (S)-form, 12-O-b-D-Glucopyranoside	CC(=O)C1=CC2=C(OC(C2)C(=C)COC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C19H24O8/c1-9(8-25-19-18(24)17(23)16(22)15(7-20)27-19)14-6-12-5-11(10(2)21)3-4-13(12)26-14/h3-5,14-20,22-24H,1,6-8H2,2H3
HMDB38329	Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin	OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)\C(=C\C#N)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H31NO14/c21-2-1-6-7(32-19-17(30)15(28)13(26)9(4-22)34-19)3-8(12(25)11(6)24)33-20-18(31)16(29)14(27)10(5-23)35-20/h1,7-20,22-31H,3-5H2/b6-1-
HMDB38322	4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one	OC1=CC2=C(C=CC3=C2C(=CC=C3)C1=O)C1=CC(O)=C(O)C=C1	InChI=1S/C19H12O4/c20-15-7-5-11(8-16(15)21)12-6-4-10-2-1-3-13-18(10)14(12)9-17(22)19(13)23/h1-9,20-22H
HMDB38323	Verimol B	COC1=CC=C(C=C1)C(OC(=O)C1=CC=C(OC)C=C1)C(C)O	InChI=1S/C18H20O5/c1-12(19)17(13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3
HMDB38321	Homoarecoline	CCOC(=O)C1=CCCN(C)C1	InChI=1S/C9H15NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h5H,3-4,6-7H2,1-2H3
HMDB38326	Annuolide E	CC1C2CC(O)C(=C)C3CCC(=C)C3C2OC1=O	InChI=1S/C15H20O3/c1-7-4-5-10-8(2)12(16)6-11-9(3)15(17)18-14(11)13(7)10/h9-14,16H,1-2,4-6H2,3H3
HMDB38327	5-Megastigmene-3,9-diol; (3b,9R)-form, 9-O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(CCC1=C(C)CC(O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C24H42O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h13-14,16-22,25-31H,5-11H2,1-4H3
HMDB38324	Verimol A	COC1=CC=C(C=C1)C(O)C(C)OC(=O)C1=CC=C(OC)C=C1	InChI=1S/C18H20O5/c1-12(17(19)13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3
HMDB38325	Verimol C	COC1=CC=C(C=C1)C1OC(C)C(O1)C1=CC=C(OC)C=C1	InChI=1S/C18H20O4/c1-12-17(13-4-8-15(19-2)9-5-13)22-18(21-12)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3
HMDB30139	22,23-Dihydroergosterol	CC(C)CC(C)CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7-8,18-20,22,24-26,29H,9-17H2,1-6H3
HMDB30138	Adhumulone	CCC(C)C(=O)C1=C(O)C(CC=C(C)C)C(=O)C(O)(CC=C(C)C)C1=O	InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14-15,23,26H,7,9,11H2,1-6H3
HMDB30137	Adhumulinic acid	CCC(C)C(=O)C1C(=O)C(O)C(CC=C(C)C)C1=O	InChI=1S/C15H22O4/c1-5-9(4)12(16)11-13(17)10(7-6-8(2)3)14(18)15(11)19/h6,9-11,14,18H,5,7H2,1-4H3
HMDB30136	Adhulupone	CCC(C)C(=O)C1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	InChI=1S/C20H28O4/c1-7-14(6)16(21)15-17(22)19(24)20(18(15)23,10-8-12(2)3)11-9-13(4)5/h8-9,14-15H,7,10-11H2,1-6H3
HMDB30135	Asticolorin C	CC1=CC2C3C(C)(C1)C1=C(OC4=C1C(O)=CC(CO)=C4)C(=O)C3(O)OC1=C2C(C)=C2C(OC3=C2C(O)=CC(CO)=C3)=C1	InChI=1S/C33H28O9/c1-13-4-17-24-14(2)25-22(40-20-7-15(11-34)5-18(36)26(20)25)9-23(24)42-33(39)30(17)32(3,10-13)28-27-19(37)6-16(12-35)8-21(27)41-29(28)31(33)38/h4-9,17,30,34-37,39H,10-12H2,1-3H3
HMDB30134	Asticolorin B	CC1=CC2C3C(C)(C1)C1=C(OC4=C1C(O)=CC(C)=C4)C(=O)C3(O)OC1=C2C(C)=C2C(OC3=C2C(O)=CC(C)=C3)=C1	InChI=1S/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3
HMDB30133	Asticolorin A	CC1=CC2C3C(C)(C1)C1=C(OC4=C1C(O)=CC(C)=C4)C(O)C3(O)OC1=C2C(C)=C2C(OC3=C2C(O)=CC(C)=C3)=C1	InChI=1S/C33H30O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30-31,34-37H,12H2,1-5H3
HMDB30132	Spirost-5-ene-3,25-diol; (3b,25S)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)(O)CO1	InChI=1S/C39H62O13/c1-18-27-25(52-39(18)13-12-36(3,46)17-47-39)15-24-22-7-6-20-14-21(8-10-37(20,4)23(22)9-11-38(24,27)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)19(2)48-34/h6,18-19,21-35,40-46H,7-17H2,1-5H3
HMDB30131	gamma-Pyrufuran	COC1=C2OC3=CC(O)=CC=C3C2=C(OC)C(O)=C1OC	InChI=1S/C15H14O6/c1-18-12-10-8-5-4-7(16)6-9(8)21-13(10)15(20-3)14(19-2)11(12)17/h4-6,16-17H,1-3H3
HMDB30130	Plastoquinone 9	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O	InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37-
HMDB41407	Clausarinol	CC(C)(C=C)C1=CC2=C(O)C3=C(OC(C)(C)C(O)C3O)C(=C2OC1=O)C(C)(C)C=C	InChI=1S/C24H30O6/c1-9-22(3,4)13-11-12-16(25)14-17(26)20(27)24(7,8)30-19(14)15(23(5,6)10-2)18(12)29-21(13)28/h9-11,17,20,25-27H,1-2H2,3-8H3
HMDB41406	Bancroftinone	COC1=C(C)C(OC)=C(C(C)=O)C(O)=C1	InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3
HMDB41435	Citbismine C	COC1=CC2=C(C(O)=C1C1C(OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(OC)=C(O)C=C3)C(C)(C)O)C(=O)C1=C(N2C)C(OC)=C(OC)C=C1	InChI=1S/C37H36N2O11/c1-37(2,45)36-27(25-22(50-36)14-19(41)24-30(25)39(4)28-15(32(24)43)9-11-18(40)34(28)48-7)26-21(47-6)13-17-23(33(26)44)31(42)16-10-12-20(46-5)35(49-8)29(16)38(17)3/h9-14,27,36,40-41,44-45H,1-8H3
HMDB43524	TG(15:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,38,44,47,59H,4-16,18-19,21-24,29-35,37,39-43,45-46,48-58H2,1-3H3/b20-17-,27-25-,28-26-,38-36-,47-44-
HMDB41405	4-Methoxybenzyl glucoside	COC1=CC=C(COC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C14H20O7/c1-19-9-4-2-8(3-5-9)7-20-14-13(18)12(17)11(16)10(6-15)21-14/h2-5,10-18H,6-7H2,1H3
HMDB41404	2-Methylcyclododecanone	CC1CCCCCCCCCCC1=O	InChI=1S/C13H24O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h12H,2-11H2,1H3
HMDB41402	Butylcyclohexane	CCCCC1CCCCC1	InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3
HMDB41401	1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol; 6-Me ether	COC1=CC2=C(C=C1OC)C(C(O)\C=C/C1=CC=C(O)C=C1)C(O)CC2	InChI=1S/C21H24O5/c1-25-19-11-14-6-10-18(24)21(16(14)12-20(19)26-2)17(23)9-5-13-3-7-15(22)8-4-13/h3-5,7-9,11-12,17-18,21-24H,6,10H2,1-2H3/b9-5-
HMDB41400	1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol	COC1=CC2=C(CCC(O)C2C(O)\C=C/C2=CC=C(O)C=C2)C=C1O	InChI=1S/C20H22O5/c1-25-19-11-15-13(10-18(19)24)5-9-17(23)20(15)16(22)8-4-12-2-6-14(21)7-3-12/h2-4,6-8,10-11,16-17,20-24H,5,9H2,1H3/b8-4-
HMDB08268	PC(20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1
HMDB08269	PC(20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h21,24,44H,6-20,22-23,25-43H2,1-5H3/b24-21-/t44-/m1/s1
HMDB08264	PC(20:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C43H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1
HMDB08265	PC(20:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
HMDB08266	PC(20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h17,19,42H,6-16,18,20-41H2,1-5H3/b19-17-/t42-/m1/s1
HMDB08267	PC(20:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
HMDB08260	PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,27,29,36,39,43H,6-8,10,12-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,29-27-,39-36-
HMDB08261	PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,36,39,43H,6-8,10,12-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,39-36-
HMDB08262	PC(20:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
HMDB08263	PC(20:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13,15,40H,6-12,14,16-39H2,1-5H3/b15-13-/t40-/m1/s1
HMDB44355	TG(16:0/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,35,38,54H,4-7,9-10,12-15,18,21-24,28,31-32,34,36-37,39-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-
HMDB59043	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,41-46,53-54,57-58,79-81,86H,5-20,23-24,27-32,39-40,47-52,55-56,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,42-36-,45-43-,46-44-,57-53-,58-54-/t80-,81-/m1/s1
HMDB36470	1,4-Dimethyl-7-ethylazulene	CCC1=CC=C(C)C2=CC=C(C)C2=C1	InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
HMDB36471	7-Ethyl-3,6-dihydro-1,4-dimethylazulene	CCC1=CCC(C)=C2CC=C(C)C2=C1	InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6-7,9H,4-5,8H2,1-3H3
HMDB36472	Verimol D	COC1=CC=C(C=C1)C(O)C(C(C)O)C1=CC=C(OC)C=C1	InChI=1S/C18H22O4/c1-12(19)17(13-4-8-15(21-2)9-5-13)18(20)14-6-10-16(22-3)11-7-14/h4-12,17-20H,1-3H3
HMDB36473	8-Epixanthatin	CC1CC2OC(=O)C(=C)C2CC=C1\C=C/C(C)=O	InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4-
HMDB36474	Verimol G	COC1=CC=C(C=C1)C(O)C(C)OC(C(C)O)C1=CC=C(OC)C=C1	InChI=1S/C20H26O5/c1-13(21)20(16-7-11-18(24-4)12-8-16)25-14(2)19(22)15-5-9-17(23-3)10-6-15/h5-14,19-22H,1-4H3
HMDB36476	Araliasaponin I	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H76O18/c1-42(2)14-15-47(41(59)65-40-35(57)33(55)31(53)25(19-49)62-40)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-38-36(58)37(23(50)20-60-38)64-39-34(56)32(54)30(52)24(18-48)61-39/h8,22-40,48-58H,9-20H2,1-7H3
HMDB36477	Araliasaponin III	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H86O23/c1-48(2)14-15-53(47(68)76-45-38(65)36(63)33(60)26(19-55)71-45)23(16-48)22-8-9-29-50(5)12-11-31(49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)58)73-43-39(66)41(24(57)21-69-43)74-46-40(67)42(34(61)27(20-56)72-46)75-44-37(64)35(62)32(59)25(18-54)70-44/h8,23-46,54-67H,9-21H2,1-7H3
HMDB13897	4-ene-Valproic acid	CCCC(CC=C)C(O)=O	InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
HMDB36479	Cyclolinopeptide F	CC(C)C[C@@H]1NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(C)=O)NC1=O)C(C)C	InChI=1S/C55H73N9O10S2/c1-33(2)28-42-49(66)58-41(24-27-76(6)74)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(48(65)59-42)23-26-75(5)73/h7-14,16-21,32-34,40-47,56H,15,22-31H2,1-6H3,(H,57,71)(H,58,66)(H,59,65)(H,60,68)(H,61,67)(H,62,70)(H,63,69)/t40-,41-,42-,43-,44-,45-,46-,47-,75?,76?/m0/s1
HMDB13895	3',4'-Dihydrodiol	OC1C=CC(=CC1O)[C@]1(NC(=O)NC1=O)C1=CC=CC=C1	InChI=1S/C15H14N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8,11-12,18-19H,(H2,16,17,20,21)/t11?,12?,15-/m1/s1
HMDB13894	S-4-Hydroxymephenytoin	CCC1(NC(=O)N(C)C1=O)C1=CC=C(O)C=C1	InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)
HMDB13892	N-Desmethylvenlafaxine	CNCC(C1=CC=C(OC)C=C1)C1(O)CCCCC1	InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3
HMDB38146	Calacone	CC(C)C1=C(CCC(C)=C)C(=O)C(C)CC1	InChI=1S/C15H24O/c1-10(2)6-8-14-13(11(3)4)9-7-12(5)15(14)16/h11-12H,1,6-9H2,2-5H3
HMDB38147	Isogermafurene	CC(=C)C1CC2=C(CC1(C)C=C)OC=C2C	InChI=1S/C15H20O/c1-6-15(5)8-14-12(11(4)9-16-14)7-13(15)10(2)3/h6,9,13H,1-2,7-8H2,3-5H3
HMDB38144	Petasitolone	CC1CCCC2CC(=O)C(=CC12C)C(C)(C)O	InChI=1S/C15H24O2/c1-10-6-5-7-11-8-13(16)12(14(2,3)17)9-15(10,11)4/h9-11,17H,5-8H2,1-4H3
HMDB35317	alpha-Bixin	COC(=O)\C=C/C(/C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C\C=C(\C)/C=C\C(O)=O	InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8-,13-9+,18-16-,19-17-,20-10+,21-11-,22-14-,23-15-
HMDB35310	Ganoderic acid I	CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O	InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37)
HMDB35311	Galanal A	CC1(C)CCCC2(C)C1CCC1(C=O)C2CC=C(CC1O)C=O	InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3
HMDB35312	Hebevinoside I	COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(O)C(O)C1O	InChI=1S/C44H72O13/c1-22(2)12-11-13-23(3)32-29(55-40-37(51)35(49)34(48)30(56-40)21-53-24(4)45)19-44(9)38-28(52-10)18-26-25(42(38,7)16-17-43(32,44)8)14-15-31(41(26,5)6)57-39-36(50)33(47)27(46)20-54-39/h12,18,23,25,27-40,46-51H,11,13-17,19-21H2,1-10H3
HMDB38141	Passifloric acid; b-D-Glucopyranosyl ester	CC(C)C1(O)CC(OC1O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3
HMDB58575	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-39,41,44-47,50-52,56,58-59,62-64,68,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB58574	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-39,41,44-47,50-52,56,58-59,62-63,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,48-49,53-55,57,60-61,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,50-46-,51-47-,56-52-,62-58-,63-59-/t83?,84-,85-/m1/s1
HMDB34939	alpha-Santalene	CC(C)=CCCC1(C)C2CC3C(C2)C13C	InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3
HMDB34938	Cappariloside B	OCC1OC(OCC2OC(OC3=CC=CC4=C3C(CC#N)=CN4)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C22H28N2O11/c23-5-4-9-6-24-10-2-1-3-11(14(9)10)33-22-20(31)18(29)16(27)13(35-22)8-32-21-19(30)17(28)15(26)12(7-25)34-21/h1-3,6,12-13,15-22,24-31H,4,7-8H2
HMDB58571	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-39,42-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35,40-41,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB58570	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,41-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,39-40,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB58573	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-39,41,44-47,50-52,56,58-59,62-64,68,83-85,90H,5-20,24,28-32,40,42-43,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB58572	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,43-46,48-50,56-58,60-62,81-83,88H,5-20,24,28-32,40-42,47,51-55,59,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,43-36-,48-44-,49-45-,50-46-,60-56-,61-57-,62-58-/t81?,82-,83-/m1/s1
HMDB34933	(Z)-11-Eicosen-1-ol	CCCCCCCC\C=C\CCCCCCCCCCO	InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h9-10,21H,2-8,11-20H2,1H3/b10-9+
HMDB34932	Fenchol	CC1(C)C2CCC(C)(C2)C1O	InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
HMDB34931	Ganoderic acid A	CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)
HMDB34930	(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate	CC1C(O)CCC2CC3=C(C(OC(C)=O)C12C)C(C)=CO3	InChI=1S/C17H24O4/c1-9-8-20-14-7-12-5-6-13(19)10(2)17(12,4)16(15(9)14)21-11(3)18/h8,10,12-13,16,19H,5-7H2,1-4H3
HMDB34937	Cappariloside A	OCC1OC(OC2=CC=CC3=C2C(CC#N)=CN3)C(O)C(O)C1O	InChI=1S/C16H18N2O6/c17-5-4-8-6-18-9-2-1-3-10(12(8)9)23-16-15(22)14(21)13(20)11(7-19)24-16/h1-3,6,11,13-16,18-22H,4,7H2
HMDB34936	Dulxanthone H	COC1=C(OC)C2=C(C(O)=C1)C(=O)C1=C(O2)C(OC)=C2OC(C)(C)C=CC2=C1OC	InChI=1S/C22H22O8/c1-22(2)8-7-10-16(26-4)14-15(24)13-11(23)9-12(25-3)18(27-5)19(13)29-20(14)21(28-6)17(10)30-22/h7-9,23H,1-6H3
HMDB34935	Dulxanthone G	COC1=CC(OC)=C(OC)C2=C1C(=O)C1=C(O2)C(OC)=C2OC(C)(C)C=CC2=C1O	InChI=1S/C22H22O8/c1-22(2)8-7-10-15(23)14-16(24)13-11(25-3)9-12(26-4)18(27-5)19(13)29-20(14)21(28-6)17(10)30-22/h7-9,23H,1-6H3
HMDB34934	Prunasin	OC[C@H]1O[C@@H](O[C@@H](C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
HMDB15396	Paliperidone	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1	InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
HMDB15397	Sunitinib	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C	InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
HMDB15394	Telbivudine	CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O	InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1
HMDB15392	Posaconazole	CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OCC2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1	InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27?,35-,37-/m0/s1
HMDB15393	Darunavir	[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1	InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
HMDB15390	Sitagliptin	N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F	InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
HMDB15391	Decitabine	NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1	InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
HMDB15398	Varenicline	[H][C@]12C[C@]([H])(CNC1)C1=CC3=NC=CN=C3C=C21	InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+
HMDB15399	Arformoterol	COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1	InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
HMDB44356	TG(16:0/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-
HMDB53978	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-37,39-41,44-45,48,62H,4-6,8-9,11-15,22-24,31,33-34,38,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-
HMDB29690	Octacosanal	CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O	InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3
HMDB29691	Wine lactone	CC1C2CCC(C)=CC2OC1=O	InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3
HMDB29694	S-Methyl benzenecarbothioate	CSC(=O)C1=CC=CC=C1	InChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
HMDB29695	Hexacosanal	CCCCCCCCCCCCCCCCCCCCCCCCCC=O	InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h26H,2-25H2,1H3
HMDB29696	Mequinol	COC1=CC=C(O)C=C1	InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
HMDB29697	Cinnamyl alcohol	OCC=CC1=CC=CC=C1	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4-
HMDB29698	trans-Cinnamyl alcohol	OC\C=C\C1=CC=CC=C1	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
HMDB29699	Cinnamyl acetate	CC(=O)OC\C=C/C1=CC=CC=C1	InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5-
HMDB59040	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,47-48,52,55,59-60,64,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB15648	Fesoterodine	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C	InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1
HMDB15649	Gadobutrol	[Gd+3].OCC(O)C(CO)N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1	InChI=1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3
HMDB15644	Betahistine	CNCCC1=CC=CC=N1	InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3
HMDB15645	Degarelix	[H]OC([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])C1=C([H])N=C([H])C([H])=C1[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(N([H])C(=O)N([H])[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(N([H])C(=O)[C@]2([H])N([H])C(=O)N([H])C(=O)C2([H])[H])C([H])=C1[H]	InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66-,67+,68?/m1/s1
HMDB15646	Desvenlafaxine	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
HMDB15647	Dexmethylphenidate	COC(=O)[C@@H]([C@H]1CCCCN1)C1=CC=CC=C1	InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1
HMDB15640	Xylometazoline	CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C	InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
HMDB15641	Dabigatran etexilate	CCCCCCOC(=O)N=C(N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N2C)C=C1	InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)
HMDB15642	Arbekacin	NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O	InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1
HMDB15643	Artemether	[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC)[C@@H]2C)O4	InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
HMDB32043	Benzyl 3-methylbutanoate	CC(C)CC(=O)OCC1=CC=CC=C1	InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
HMDB12385	PS(18:1(9Z)/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,34-35H,3-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b17-16-/t34-,35+/m1/s1
HMDB12386	PS(18:1(9Z)/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,16-17,34-35H,3-9,11,13-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b12-10-,17-16-/t34-,35+/m1/s1
HMDB12387	PS(18:1(9Z)/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b18-17-/t36-,37+/m1/s1
HMDB12380	PS(18:0/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,38-39H,3-11,13,15-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b14-12-,20-18-/t38-,39+/m1/s1
HMDB12381	PS(18:0/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,38-39H,3-5,7,9-11,13,15-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b8-6-,14-12-,20-18-/t38-,39+/m1/s1
HMDB12382	PS(18:0/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,40-41H,3-10,12,14-16,18,20-21,23,25-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,24-22-/t40-,41+/m1/s1
HMDB12383	PS(18:0/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,40-41H,3-10,12,14-16,18,20-21,23,25-27,29,31-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,24-22-,30-28-/t40-,41+/m1/s1
HMDB57326	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,51-52,55-56,63,67,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-50,53-54,57-62,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-/t83?,84-,85-/m1/s1
HMDB12388	PS(18:1(9Z)/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,36-37H,3-13,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-,18-17-/t36-,37+/m1/s1
HMDB12389	PS(18:1(9Z)/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C42H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,38-39H,3-16,18,20-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-/t38-,39+/m1/s1
HMDB29346	3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, O-b-D-Glucopyranoside	CC(C)=CCC\C(C)=C/COC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,7,12-20H,4,6,8-9H2,1-3H3/b11-7-
HMDB29347	Acuminoside	CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7-
HMDB29344	Blepharin	OCC1OC(OC2OC3=CC=CC=C3NC2=O)C(O)C(O)C1O	InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)
HMDB29345	Murrayenol	CC1(C)OC1C1CC(C(O)O1)C1CCC2(C)C3=CCC4C(C)(C)C(O)C=CC4(C)C3CCC12C	InChI=1S/C30H46O4/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(33-25(17)32)24-27(3,4)34-24/h8,12-13,17-19,21-25,31-32H,9-11,14-16H2,1-7H3
HMDB29342	Ceanothine E	CC(C)CC1NC(=O)C(NC(=O)C(CC2=CC=CC=C2)N(C)C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C1=CC=CC=C1	InChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-
HMDB29343	beta1-Tomatidine	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1	InChI=1S/C45H75NO17/c1-19-7-12-45(46-15-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3
HMDB29340	Ceanothine C	CCC(C)C1NC(=O)C(NC(=O)C2CCCN2C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C(C)C.CC(C)CC1NC(=O)C(NC(=O)C2CCCN2C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C(C)C	InChI=1S/2C26H38N4O4/c1-16(2)15-20-24(31)27-13-12-18-8-10-19(11-9-18)34-23(17(3)4)22(26(33)28-20)29-25(32)21-7-6-14-30(21)5;1-6-17(4)21-25(32)27-14-13-18-9-11-19(12-10-18)34-23(16(2)3)22(26(33)28-21)29-24(31)20-8-7-15-30(20)5/h8-13,16-17,20-23H,6-7,14-15H2,1-5H3,(H,27,31)(H,28,33)(H,29,32);9-14,16-17,20-23H,6-8,15H2,1-5H3,(H,27,32)(H,28,33)(H,29,31)/b13-12-;14-13-
HMDB29341	Ceanothine D	CCC(C)C1OC2=CC=C(C=C2)\C=C/NC(=O)C(CC(C)C)NC(=O)C1NC(=O)C1CCCN1C	InChI=1S/C27H40N4O4/c1-6-18(4)24-23(30-26(33)22-8-7-15-31(22)5)27(34)29-21(16-17(2)3)25(32)28-14-13-19-9-11-20(35-24)12-10-19/h9-14,17-18,21-24H,6-8,15-16H2,1-5H3,(H,28,32)(H,29,34)(H,30,33)/b14-13-
HMDB53668	TG(20:3n6/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,57H,4-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-
HMDB53669	TG(20:3n6/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,44,47,57H,4-15,18,21-24,29,31,34,37-38,40-43,45-46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,47-44-
HMDB29348	3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, O-[a-L-Arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(C)=CCC\C(C)=C/COC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-20-19(27)17(25)16(24)14(31-20)10-29-21-18(26)15(23)13(9-22)30-21/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-
HMDB29349	3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, O-[a-L-Rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OCC2OC(OC\C=C(\C)CCC=C(C)C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C22H38O10/c1-11(2)6-5-7-12(3)8-9-29-21-20(28)18(26)16(24)14(32-21)10-30-22-19(27)17(25)15(23)13(4)31-22/h6,8,13-28H,5,7,9-10H2,1-4H3/b12-8-
HMDB50498	TG(20:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-33,35,41,44,58H,4-15,17-18,20-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,35-33-,44-41-
HMDB50499	TG(20:1(11Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34,60H,4-15,17-18,20-24,30-33,35-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-
HMDB00808	N-Butyrylglycine	CCCC(=O)NCC(O)=O	InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
HMDB00809	N-Glycoloylganglioside GM1	CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H](O)\C=C\CCCCCCCCCCCCCCC	InChI=1S/C77H139N3O30/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-56(90)80-49(50(87)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2)45-101-73-65(97)63(95)68(55(44-84)105-73)107-75-66(98)71(110-77(76(99)100)40-51(88)57(78-47(4)85)70(109-77)59(91)52(89)41-81)67(46(3)102-75)106-72-58(79-48(5)86)69(61(93)54(43-83)103-72)108-74-64(96)62(94)60(92)53(42-82)104-74/h36,38,46,49-55,57-75,81-84,87-89,91-98H,6-35,37,39-45H2,1-5H3,(H,78,85)(H,79,86)(H,80,90)(H,99,100)/b38-36+/t46-,49-,50+,51+,52-,53-,54-,55-,57-,58-,59-,60+,61+,62+,63-,64-,65-,66-,67+,68-,69-,70?,71-,72+,73-,74+,75+,77+/m1/s1
HMDB00801	Phytanic acid	CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O	InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
HMDB00802	Pterin	NC1=NC2=NC=CN=C2C(=O)N1	InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
HMDB00803	Beta-N-Acetylglucosamine	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
HMDB00805	Pyrrolidonecarboxylic acid	OC(=O)C1CCC(=O)N1	InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
HMDB00806	Myristic acid	CCCCCCCCCCCCCC(O)=O	InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
HMDB00807	3-Phosphoglyceric acid	OC(COP(O)(O)=O)C(O)=O	InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
HMDB50496	TG(20:1(11Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,31,57H,4-13,15-16,18-22,24,29-30,32-56H2,1-3H3/b17-14-,26-23-,28-25-,31-27-
HMDB41378	Camelliatannin C	OC(C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OCC1O)C1=C(O)C2=C(OC(C(O)C2)C2=CC(O)=C(O)C=C2)C=C1O	InChI=1S/C49H38O28/c50-17-2-1-11(3-18(17)51)42-24(57)4-12-26(74-42)9-19(52)31(32(12)59)41(68)44-45(77-49(72)16-8-23(56)36(63)40(67)30(16)29-15(48(71)76-44)7-22(55)35(62)39(29)66)43-25(58)10-73-46(69)13-5-20(53)33(60)37(64)27(13)28-14(47(70)75-43)6-21(54)34(61)38(28)65/h1-3,5-9,24-25,41-45,50-68H,4,10H2
HMDB59041	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,46,48-50,52,54,57,60-62,64,66,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB14519	Colestipol	ClCC1CO1.NCCNCCNCCNCCN	InChI=1S/C8H23N5.C3H5ClO/c9-1-3-11-5-7-13-8-6-12-4-2-10;4-1-3-2-5-3/h11-13H,1-10H2;3H,1-2H2
HMDB14518	Treprostinil	[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1	InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1
HMDB14517	Timolol	CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1	InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3
HMDB14516	Thiethylperazine	CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1	InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3
HMDB14515	Meprobamate	CCCC(C)(COC(N)=O)COC(N)=O	InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
HMDB14514	Mirtazapine	CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1	InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
HMDB14513	Cidofovir	NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1	InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
HMDB14511	Levonorgestrel	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
HMDB06323	Tetracosapentaenoic acid (24:5n-3)	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-
HMDB06322	Tetracosapentaenoic acid (24:5n-6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O	InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-23H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-,19-18-
HMDB06321	Docosa-4,7,10,13,16-pentaenoyl carnitine	CCCCC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,15-16,18-19,21-22,27H,5-8,11,14,17,20,23-26H2,1-4H3/b10-9+,13-12+,16-15+,19-18+,22-21+
HMDB06320	2,6 dimethylheptanoyl carnitine	CC(C)CCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3
HMDB06327	Alpha-Tocotrienol	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
HMDB06328	D-Tagatose 1-phosphate	OC[C@@H](O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O	InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6-/m1/s1
HMDB52137	TG(24:1(15Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB52136	TG(24:1(15Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,66H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB52135	TG(24:1(15Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,44,47,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-,47-44-
HMDB52134	TG(24:1(15Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-
HMDB52133	TG(24:1(15Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,39,45,48,54,57,68H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB52132	TG(24:1(15Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,39,45,48,68H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB52131	TG(24:1(15Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,68H,4-16,18-19,21-24,31-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-
HMDB52130	TG(24:1(15Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,49,52,66H,4-17,19-20,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB52139	TG(24:1(15Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB52138	TG(24:1(15Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB11950	Ganglioside GQ1c (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C107H183N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h34,36,57-71,73-99,113-120,126-132,134-143H,8-33,35,37-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b36-34+/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1
HMDB59046	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,41,44-47,49-50,52,56-58,61-62,64,68,83-85,90H,5-20,24,28-32,40,42-43,48,51,53-55,59-60,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,50-47-,56-52-,61-57-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB10526	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m1/s1
HMDB10527	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]	[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,40,43,56H,4-7,9-10,12-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1
HMDB10524	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,41-42,44-45,58H,4-6,8-9,11-15,18,21-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m0/s1
HMDB10525	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m1/s1
HMDB10522	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-36,41-42,44-45,58H,4-15,18,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB10523	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-32,34,40,43,56H,4-7,9-10,12-15,18,21-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1
HMDB10520	TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m1/s1
HMDB10521	TG(20:4(5Z,8Z,11Z,14Z)/18:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,32,34,40,43,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1
HMDB54470	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,36,39,45,48,61H,4-15,17-18,20-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b19-16-,28-25-,29-26-,39-36-,48-45-
HMDB54471	TG(22:2(13Z,16Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,66H,4-15,18,21-24,31-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-
HMDB07058	DG(14:1(9Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,16-17,37,40H,3-9,11,13-15,18-36H2,1-2H3/b12-10-,17-16-/t37-/m0/s1
HMDB07059	DG(14:1(9Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,37,40H,3-9,14-15,18-36H2,1-2H3/b12-10-,13-11-,17-16-/t37-/m0/s1
HMDB54474	TG(22:2(13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,36,62H,4-8,10-11,13-15,17,20,22-24,30-35,37-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,36-27-
HMDB54475	TG(22:2(13Z,16Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,36,42,45,62H,4-8,10-11,13-15,17,20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB10528	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,41-42,44-45,58H,4-6,8-9,11-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m0/s1
HMDB10529	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m1/s1
HMDB48602	TG(16:1(9Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,28-29,33,35,54H,4-15,17-18,22,27,30-32,34,36-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,29-28-,35-33-
HMDB48603	TG(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,28-29,33,35,41,44,54H,4-15,17-18,22,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,29-28-,35-33-,44-41-
HMDB56234	DG(20:3n9/0:0/20:3n9)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,29-32,41,44H,3-16,21-22,27-28,33-40H2,1-2H3/b19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB58968	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-44-41-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,42-44,46-48,53-54,56-58,60,79-81,86H,5-20,24,28-32,39-41,45,49-52,55,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,46-42-,47-43-,48-44-,57-53-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB48601	TG(16:1(9Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,54H,4-15,17-18,22,27-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-
HMDB56908	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB53603	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,34-35,37-38,44,47,59H,4-7,9-10,12-14,21-23,30-33,36,39-43,45-46,48-58H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB56906	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-38,42-47,52-54,56-58,64-65,68-69,85-87,92H,5-9,12-13,16-20,24,28-32,39-41,48-51,55,59-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-/t85?,86-,87-/m1/s1
HMDB48606	TG(16:1(9Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,28,31,52H,4-6,8-9,11-15,17-18,22,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,31-28-
HMDB56904	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-9,11-13,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56905	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-9,11-13,15-20,24,28-32,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB56902	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43-45,48-50,54,56-57,60-62,66,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,46-47,51-53,55,58-59,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB56236	DG(20:3n9/0:0/24:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,27,29,33,35,45,48H,3-16,21-26,28,30-32,34,36-44H2,1-2H3/b19-17-,20-18-,29-27-,35-33-
HMDB56900	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,50-51,54-55,62-63,66-67,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-49,52-53,56-61,64-65,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,66-62-,67-63-/t82?,83-,84-/m1/s1
HMDB48607	TG(16:1(9Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,28,31,36,39,52H,4-6,8-9,11-15,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,31-28-,39-36-
HMDB07588	DG(22:0/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
HMDB07589	DG(22:0/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h10,12,37,40H,3-9,11,13-36H2,1-2H3/b12-10-/t37-/m0/s1
HMDB56237	DG(20:3n9/0:0/18:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C42H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,22-23,25,29,31,40,43H,3-13,15,18,21,24,26-28,30,32-39H2,1-2H3/b16-14-,19-17-,22-20-,25-23-,31-29-
HMDB48604	TG(16:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,50H,4-6,8-9,11-15,17-18,22,27-49H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-
HMDB07580	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,43,46H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1
HMDB07581	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,31,33,43,46H,3-5,7,9-10,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1
HMDB07582	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-5,7,9-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1
HMDB07583	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-5,7,9-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m0/s1
HMDB07584	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,9-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1
HMDB07585	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H66O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-4,9-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m0/s1
HMDB07586	DG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,33,35,45,48H,3-5,7,9-11,13,15-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b8-6-,14-12-,20-18-,29-27-,35-33-/t45-/m0/s1
HMDB07587	DG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,33,35,45,48H,3-5,7,9-11,13,15-16,21-26,28,30-32,34,36-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,29-27-,35-33-/t45-/m0/s1
HMDB12601	17-hydroxy-E4-neuroprostane	CC\C=C/CC(O)\C=C\C1C(O)CC(=O)C1C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H32O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-19,21,23,25H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-3-,9-6-,15-14+
HMDB12605	18(R)-Hydroxy-20-oxo-20-CoA-LTE4	O[C@H](CC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C44H69N8O23P3S2/c1-44(2,24-72-78(69,70)75-77(67,68)71-22-30-37(74-76(64,65)66)36(59)42(73-30)52-26-51-35-39(46)49-25-50-40(35)52)38(60)41(61)48-18-17-32(55)47-19-20-79-34(58)21-27(53)13-10-8-6-4-3-5-7-9-11-15-31(80-23-28(45)43(62)63)29(54)14-12-16-33(56)57/h3,5-9,11,15,25-31,36-38,42,53-54,59-60H,4,10,12-14,16-24,45H2,1-2H3,(H,47,55)(H,48,61)(H,56,57)(H,62,63)(H,67,68)(H,69,70)(H2,46,49,50)(H2,64,65,66)/p-4/b5-3-,8-6-,9-7+,15-11+/t27-,28-,29+,30-,31-,36+,37+,38?,42-/m1/s1
HMDB56232	DG(20:1n9/0:0/22:5n3)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-
HMDB12607	18-Carboxy-dinor-LTE4	N[C@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O	InChI=1S/C21H31NO7S/c22-16(21(28)29)15-30-18(17(23)11-10-14-20(26)27)12-8-6-4-2-1-3-5-7-9-13-19(24)25/h1-2,4-8,12,16-18,23H,3,9-11,13-15,22H2,(H,24,25)(H,26,27)(H,28,29)/b2-1-,6-4+,7-5-,12-8+/t16-,17+,18-/m1/s1
HMDB12606	18,20-Dioxo-20-CoA-leukotriene B4	O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C41H62N7O22P3S/c1-41(2,23-67-73(64,65)70-72(62,63)66-22-29-35(69-71(59,60)61)34(56)40(68-29)48-25-47-33-37(42)45-24-46-38(33)48)36(57)39(58)44-18-17-30(52)43-19-20-74-32(55)21-28(51)14-9-5-8-13-26(49)11-6-3-4-7-12-27(50)15-10-16-31(53)54/h3-8,11-12,24-27,29,34-36,40,49-50,56-57H,9-10,13-23H2,1-2H3,(H,43,52)(H,44,58)(H,53,54)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-4/b4-3+,8-5-,11-6+,12-7-/t26-,27+,29-,34+,35+,36?,40-/m1/s1
HMDB12609	18E-20-oxo-20-CoA-LTB4	O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C41H62N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-11,14-15,18,25-29,34-36,40,49-50,55-56H,3,5,12-13,16-17,19-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/p-4/b7-6+,8-4-,14-9+,15-10-,18-11+/t27-,28-,29+,34-,35-,36?,40+/m0/s1
HMDB12608	18-CoA-18-oxo-dinorleukotriene B4	O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H60N7O21P3S/c1-39(2,22-64-70(61,62)67-69(59,60)63-21-27-33(66-68(56,57)58)32(53)38(65-27)46-24-45-31-35(40)43-23-44-36(31)46)34(54)37(55)42-18-17-28(49)41-19-20-71-30(52)16-9-5-8-13-25(47)11-6-3-4-7-12-26(48)14-10-15-29(50)51/h3-8,11-12,23-27,32-34,38,47-48,53-54H,9-10,13-22H2,1-2H3,(H,41,49)(H,42,55)(H,50,51)(H,59,60)(H,61,62)(H2,40,43,44)(H2,56,57,58)/p-4/b4-3+,8-5-,11-6+,12-7-/t25-,26+,27-,32+,33+,34?,38-/m1/s1
HMDB53605	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,37,40,46,49,61H,4-7,9-10,12-14,21-23,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,40-37-,49-46-
HMDB58933	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,44-50,55-57,59-61,69,73,88-90,95H,5-8,11-12,15-20,24,29-31,36,41-43,51-54,58,62-68,70-72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,73-69-/t88?,89-,90-/m1/s1
HMDB00585	Glucosylgalactosyl hydroxylysine	NCC(CC[C@H](N)C(O)=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O	InChI=1S/C18H34N2O13/c19-3-6(1-2-7(20)16(28)29)30-18-15(13(26)11(24)9(5-22)32-18)33-17-14(27)12(25)10(23)8(4-21)31-17/h6-15,17-18,21-27H,1-5,19-20H2,(H,28,29)/t6?,7-,8+,9+,10+,11-,12?,13-,14+,15+,17+,18+/m0/s1
HMDB48759	TG(16:1(9Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26-29,34,37,53H,4-7,9-10,12-16,18,23,25,30-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-,29-27-,37-34-
HMDB00580	Chondroitin sulfate	CC(=O)N[C@H]1[C@H](O)O[C@H](OS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1
HMDB00583	Docosanamide	CCCCCCCCCCCCCCCCCCCCCC(N)=O	InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
HMDB00582	3,5-Diiodothyronine	NC(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(O)=O	InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)
HMDB48751	TG(16:1(9Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-22,24,26-29,34,37,53H,4-16,18,23,25,30-33,35-36,38-52H2,1-3H3/b20-17-,22-19-,24-21-,28-26-,29-27-,37-34-
HMDB48752	TG(16:1(9Z)/18:2(9Z,12Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,20-25,28,30,54H,4-12,14-15,17-19,26-27,29,31-53H2,1-3H3/b16-13-,23-20-,24-21-,25-22-,30-28-
HMDB48753	TG(16:1(9Z)/18:2(9Z,12Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-31,33,55H,4-15,17-18,22,26,29,32,34-54H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-28-,33-31-
HMDB00588	Sodium	[Na+]	InChI=1S/Na/q+1
HMDB48756	TG(16:1(9Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-32,35,38,57H,4-15,17-18,22,26,29,33-34,36-37,39-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,38-35-
HMDB48757	TG(16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-32,35,38,44,47,57H,4-15,17-18,22,26,29,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,38-35-,47-44-
HMDB49089	TG(18:1(11Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,36,39,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,31-29-,39-36-
HMDB49088	TG(18:1(11Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,31-29-
HMDB55045	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33-36,40-41,43-44,49-50,52-53,63H,4-14,21-23,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB49083	TG(18:1(11Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,54H,4-15,17-18,21-22,25,27-53H2,1-3H3/b19-16-,23-20-,26-24-
HMDB49082	TG(18:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,36,39,52H,4-15,17-18,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-,39-36-
HMDB49081	TG(18:1(11Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,52H,4-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-
HMDB49080	TG(18:1(11Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h13,16,20,22-24,51H,4-12,14-15,17-19,21,25-50H2,1-3H3/b16-13-,23-20-,24-22-
HMDB49087	TG(18:1(11Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,31,33,50H,4-6,8-9,11-15,17-18,21-22,25,27-30,32,34-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,33-31-
HMDB49086	TG(18:1(11Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,50H,4-6,8-9,11-15,17-18,21-22,25,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-
HMDB49085	TG(18:1(11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,33,36,41,44,54H,4-15,17-18,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,36-33-,44-41-
HMDB49084	TG(18:1(11Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,33,36,54H,4-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,36-33-
HMDB00058	Cyclic AMP	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O	InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
HMDB00053	Androstenedione	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
HMDB00052	Argininosuccinic acid	N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1
HMDB00051	Ammonia	N	InChI=1S/H3N/h1H3
HMDB00050	Adenosine	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
HMDB00056	Beta-Alanine	NCCC(O)=O	InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
HMDB00055	Cellobiose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
HMDB00054	Bilirubin	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
HMDB50885	TG(20:3(5Z,8Z,11Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,8-9,11-15,17-18,20-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB50884	TG(20:3(5Z,8Z,11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31-32,34-35,38-39,42,56H,4-6,8-9,11-15,17-18,20-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB50887	TG(20:3(5Z,8Z,11Z)/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-34,38-39,41-42,55H,4-24,29-30,35-37,40,43-54H2,1-3H3/b27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB50886	TG(20:3(5Z,8Z,11Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,29,31,36,39,53H,4-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b26-24-,31-29-,39-36-
HMDB50881	TG(20:3(5Z,8Z,11Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-29,31,33,35-36,39,52H,4-7,9-10,12-16,18-19,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB50880	TG(20:3(5Z,8Z,11Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-29,31,36,39,52H,4-7,9-10,12-16,18-19,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,31-29-,39-36-
HMDB50883	TG(20:3(5Z,8Z,11Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30-33,37-38,40-41,54H,4-6,8-9,11-15,17-18,20-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB50882	TG(20:3(5Z,8Z,11Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30-33,38,41,54H,4-6,8-9,11-15,17-18,20-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB03598	Retinyl ester	CC1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O	InChI=1S/C20H30O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14,17-18H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
HMDB50889	TG(20:3(5Z,8Z,11Z)/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,35,37,42,45,59H,4-24,29-34,36,38-41,43-44,46-58H2,1-3H3/b27-25-,28-26-,37-35-,45-42-
HMDB50888	TG(20:3(5Z,8Z,11Z)/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,33,35,40,43,57H,4-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b27-25-,28-26-,35-33-,43-40-
HMDB52955	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,35-37,41,44,54H,4-6,8-9,11-14,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-
HMDB52954	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,35-37,54H,4-6,8-9,11-14,21-23,27,31-32,34,38-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-
HMDB52957	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32-33,35-36,52H,4-15,18,22-23,29-31,34,37-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,35-32-,36-33-
HMDB52956	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,51H,4-14,16,19,21-24,26,28-31,33,35-50H2,1-3H3/b18-15-,20-17-,27-25-,34-32-
HMDB52951	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,31-34,50H,4-6,8-9,11-14,21-23,28-30,35-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-
HMDB52950	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,32,34,50H,4-6,8-9,11-14,21-23,28-31,33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-
HMDB52953	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,33,35-36,39,52H,4-6,8-9,11-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB52952	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,33,35,52H,4-6,8-9,11-14,21-23,27,30,32,34,36-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-
HMDB57350	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB57351	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57352	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB57353	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB52959	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33-34,37,54H,4-15,18,22-23,28,31-32,35-36,38-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-
HMDB52958	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h13,16-17,20-22,24-26,28,33,36,53H,4-12,14-15,18-19,23,27,29-32,34-35,37-52H2,1-3H3/b16-13-,20-17-,24-21-,25-22-,28-26-,36-33-
HMDB57356	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-9,11-13,15-20,24,28-32,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB57357	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,70,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-53,57,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB59044	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(103-86(91)73-69-65-61-57-53-49-43-39-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-39,42-47,54-55,58-59,80-82,87H,5-20,23-24,28-30,32,35,40-41,48-53,56-57,60-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,43-39-,46-44-,47-45-,58-54-,59-55-/t80?,81-,82-/m1/s1
HMDB39703	3-beta-Gentiobiosylglucose	OCC1OC(O)C(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O	InChI=1S/C18H32O16/c19-1-4-7(21)10(24)12(26)17(32-4)30-3-6-8(22)11(25)13(27)18(33-6)34-15-9(23)5(2-20)31-16(29)14(15)28/h4-29H,1-3H2
HMDB02659	Silver	[Ag+]	InChI=1S/Ag/q+1
HMDB31468	Cyanidin 3-glucogalactoside	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32)/p+1/t17-,18-,19-,20+,21+,22+,23-,24-,26-,27-/m1/s1
HMDB31469	trans-Isoasarone	COC1=CC(OC)=C(\C=C\C)C=C1OC	InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+
HMDB31466	Selenomethyl selenocysteine	C[Se]CC(N)C(O)=O	InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
HMDB31467	Arabinoside	O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C10H13N5O4.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H2/t4-,6-,7+,10-;/m1./s1
HMDB31464	cis-[8]-Shogaol	CCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3/b10-9+
HMDB31465	Methyl-[10]-shogaol	CCCCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(OC)C=C1	InChI=1S/C22H34O3/c1-4-5-6-7-8-9-10-11-12-13-20(23)16-14-19-15-17-21(24-2)22(18-19)25-3/h12-13,15,17-18H,4-11,14,16H2,1-3H3/b13-12+
HMDB31462	[10]-Shogaol	CCCCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+
HMDB31463	[8]-Shogaol	CCCCCC=CC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
HMDB31460	Anthocyanidins	C1=CC=C(C=C1)C1=[O+]C2=CC=CC=C2C=C1	InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1
HMDB31461	Xylene	CC1=CC=C(C)C=C1.CC1=CC(C)=CC=C1.CC1=CC=CC=C1C	InChI=1S/3C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3*3-6H,1-2H3
HMDB07870	PC(14:0/16:1(9Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h16,18,36H,6-15,17,19-35H2,1-5H3/b18-16-/t36-/m1/s1
HMDB07871	PC(14:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
HMDB07872	PC(14:0/18:1(11Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h16,18,38H,6-15,17,19-37H2,1-5H3/b18-16-/t38-/m1/s1
HMDB07873	PC(14:0/18:1(9Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h19-20,38H,6-18,21-37H2,1-5H3/b20-19-/t38-/m1/s1
HMDB07874	PC(14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h14,16,19-20,38H,6-13,15,17-18,21-37H2,1-5H3/b16-14-,20-19-/t38-/m1/s1
HMDB07875	PC(14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h14,16,19-20,23,25,38H,6-13,15,17-18,21-22,24,26-37H2,1-5H3/b16-14-,20-19-,25-23-/t38-/m1/s1
HMDB35518	1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone	CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCC	InChI=1S/C36H65NO2/c1-4-7-10-13-16-17-20-23-26-29-36(39)34-31-37-30-33(32(34)27-24-21-18-14-11-8-5-2)35(38)28-25-22-19-15-12-9-6-3/h30-32,37H,4-29H2,1-3H3
HMDB35519	1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-dodecanone]	CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCCCC	InChI=1S/C38H69NO2/c1-4-7-10-13-16-18-21-24-27-30-37(40)35-32-39-33-36(34(35)29-26-23-20-15-12-9-6-3)38(41)31-28-25-22-19-17-14-11-8-5-2/h32-34,39H,4-31H2,1-3H3
HMDB07878	PC(14:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
HMDB07879	PC(14:0/20:1(11Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h19-20,40H,6-18,21-39H2,1-5H3/b20-19-/t40-/m1/s1
HMDB35514	xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid	OC(=O)CC1C(O)=NC2=C1C=CC=C2.OC(=O)CC1C(=O)NC2=C1C=CC=C2	InChI=1S/2C10H9NO3/c2*12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h2*1-4,7H,5H2,(H,11,14)(H,12,13)
HMDB35515	3,5-Didecanoylpyridine	CCCCCCCCCC(=O)C1=CC(=CN=C1)C(=O)CCCCCCCCC	InChI=1S/C25H41NO2/c1-3-5-7-9-11-13-15-17-24(27)22-19-23(21-26-20-22)25(28)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3
HMDB35512	Schleicherastatin 3	COC1C=C2CC(O)CCC2(C)C2CCC3(C)C(CCC3C12)C(C)C(O)CC(C)C(C)C	InChI=1S/C29H50O3/c1-17(2)18(3)14-25(31)19(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32-7/h16-19,21-27,30-31H,8-15H2,1-7H3
HMDB35513	Schleicherastatin 6	CC(C)C(C)CC(O)C(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O	InChI=1S/C28H46O3/c1-16(2)17(3)13-24(30)18(4)21-7-8-22-26-23(10-12-28(21,22)6)27(5)11-9-20(29)14-19(27)15-25(26)31/h15-18,20-24,26,29-30H,7-14H2,1-6H3
HMDB35510	Tsugaric acid C	CC(=C)C(O)CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O	InChI=1S/C32H50O5/c1-19(2)25(34)11-9-21(28(35)36)22-13-17-32(8)24-10-12-26-29(4,5)27(37-20(3)33)15-16-30(26,6)23(24)14-18-31(22,32)7/h21-22,25-27,34H,1,9-18H2,2-8H3,(H,35,36)
HMDB35511	Trametenolic acid B	[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@@H](CCC=C(C)C)C(O)=O	InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
HMDB57828	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43-45,48-50,54,56-57,60-62,66,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,46-47,51-53,55,58-59,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB57829	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,41-42,44-46,50-52,55-56,58,62-64,67-68,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,47-49,53-54,57,59-61,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB57822	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57823	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB57820	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57821	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57826	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,50-51,54-55,62-63,66-67,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-49,52-53,56-61,64-65,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,66-62-,67-63-/t82?,83-,84-/m1/s1
HMDB57827	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1
HMDB57824	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C82H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB57825	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)101-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB02349	trans-trans-Muconic acid	OC(=O)\C=C\C=C\C(O)=O	InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
HMDB02348	Octacosanoic acid	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
HMDB02345	Heneicosanoic acid	CCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
HMDB02346	Lactyl-CoA	CC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18+,22-/m1/s1
HMDB02341	8-iso-15-keto-PGE2	CCCCCC(=O)\C=C\[C@H]1C(O)CC(=O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19?/m0/s1
HMDB02343	5,6-DHET	CCCCC\C=C/C\C=C/C\C=C/CC(O)C(O)CCCC(O)=O	InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-
HMDB31396	Reticulatamone	CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H64O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-34(36)30-27-24-21-18-15-14-16-19-22-25-28-33-31-32(2)38-35(33)37/h31-32H,3-30H2,1-2H3
HMDB55289	TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,32-33,38,41,58H,4-7,10,13-15,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-
HMDB30331	xi-2-Ethylheptanoic acid	CCCCCC(CC)C(O)=O	InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
HMDB30330	1-Methoxy-3-methylene-2-pentanone	CCC(=C)C(=O)COC	InChI=1S/C7H12O2/c1-4-6(2)7(8)5-9-3/h2,4-5H2,1,3H3
HMDB30333	Fragransol C	COC1=CC(\C=C\CO)=CC2=C1OC(C2C)C1=CC=C(OC)C(OC)=C1	InChI=1S/C21H24O5/c1-13-16-10-14(6-5-9-22)11-19(25-4)21(16)26-20(13)15-7-8-17(23-2)18(12-15)24-3/h5-8,10-13,20,22H,9H2,1-4H3/b6-5+
HMDB30332	2-Methyl-4-pentenal	CC(CC=C)C=O	InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3
HMDB30335	1,2-Disinapoylgentiobiose	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)OC2([H])OC([H])(C([H])([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])OC(=O)C(\[H])=C(/[H])C2=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C2[H])C([H])=C1OC([H])([H])[H]	InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)28(41)22(14-49-33-31(44)29(42)27(40)21(13-35)50-33)51-34(32)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+
HMDB30334	2-Feruloyl-1-sinapoylgentiobiose	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)OC2([H])C([H])(OC(=O)C(\[H])=C(/[H])C3=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H])OC([H])(C([H])([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])(O[H])C2([H])O[H])C([H])=C1[H]	InChI=1S/C33H40O18/c1-44-18-10-15(4-7-17(18)35)5-8-23(36)50-31-29(42)27(40)22(14-47-32-30(43)28(41)26(39)21(13-34)48-32)49-33(31)51-24(37)9-6-16-11-19(45-2)25(38)20(12-16)46-3/h4-12,21-22,26-35,38-43H,13-14H2,1-3H3/b8-5+,9-6+
HMDB30337	Torvoside G	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C2C1C	InChI=1S/C34H56O9/c1-18(17-41-31-30(39)29(38)28(37)26(16-35)42-31)8-13-34(40-5)19(2)27-25(43-34)15-24-22-7-6-20-14-21(36)9-11-32(20,3)23(22)10-12-33(24,27)4/h18-20,22-31,35,37-39H,6-17H2,1-5H3
HMDB30336	2-Feruloyl-1,2'-disinapoylgentiobiose	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)OC2([H])C([H])(OC(=O)C(\[H])=C(/[H])C3=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H])OC([H])(C([H])([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H])C([H])(O[H])C2([H])O[H])C([H])=C1[H]	InChI=1S/C44H50O22/c1-56-25-14-21(6-10-24(25)46)7-11-32(47)65-42-40(55)38(53)31(63-44(42)66-34(49)13-9-23-17-28(59-4)36(51)29(18-23)60-5)20-61-43-41(39(54)37(52)30(19-45)62-43)64-33(48)12-8-22-15-26(57-2)35(50)27(16-22)58-3/h6-18,30-31,37-46,50-55H,19-20H2,1-5H3/b11-7+,12-8+,13-9+
HMDB30339	Pipernonaline	O=C(\C=C\CCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1	InChI=1S/C21H27NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6-7,10-13,16H,1-5,8-9,14-15,17H2/b10-6+,11-7+
HMDB30338	Physoperuvine	CNC1CCCC(=O)CC1.CN1C2CCC1(O)CCC2	InChI=1S/2C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7;1-9-7-3-2-4-8(10)6-5-7/h7,10H,2-6H2,1H3;7,9H,2-6H2,1H3
HMDB32650	Litcubinine	COC1=CC2=C(C=C1O)C1CC3=C(C=C(O)C(O)=C3)[N+]1(C)CC2	InChI=1S/C18H19NO4/c1-19-4-3-10-7-18(23-2)17(22)8-12(10)14(19)5-11-6-15(20)16(21)9-13(11)19/h6-9,14H,3-5H2,1-2H3,(H2-,20,21,22)/p+1
HMDB39603	3,4-Dimethyl-5-pentyl-2-furanheptanoic acid	CCCCCC1=C(C)C(C)=C(CCCCCCC(O)=O)O1	InChI=1S/C18H30O3/c1-4-5-8-11-16-14(2)15(3)17(21-16)12-9-6-7-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)
HMDB32652	Meconine	COC1=C(OC)C2=C(COC2=O)C=C1	InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3
HMDB33824	Isoorientin 7-glucoside	OCC1OC(OC2=CC3=C(C(=O)C=C(O3)C3=CC=C(O)C(O)=C3)C(O)=C2C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-6-15-19(33)22(36)24(38)26(41-15)18-14(42-27-25(39)23(37)20(34)16(7-29)43-27)5-13-17(21(18)35)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2
HMDB33825	Corbisterol	CCC(\C=C/C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3/b9-8-
HMDB33826	2,6-Di-tert-butyl-4-methylphenol	CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C	InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
HMDB32653	(Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide	CS(=O)C\C=C\SSCC=C	InChI=1S/C7H12OS3/c1-3-5-9-10-6-4-7-11(2)8/h3-4,6H,1,5,7H2,2H3/b6-4+
HMDB33820	Irilone	OC1=CC=C(C=C1)C1=COC2=CC3=C(OCO3)C(O)=C2C1=O	InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2
HMDB33821	2-O-Methyl-D-xylose	COC(C=O)C(O)C(O)CO.COC1C(O)OC(CO)C1O.COC1C(O)OCC(O)C1O	InChI=1S/3C6H12O5/c1-10-5-4(8)3(7)2-11-6(5)9;1-10-5-4(8)3(2-7)11-6(5)9;1-11-5(3-8)6(10)4(9)2-7/h2*3-9H,2H2,1H3;3-7,9-10H,2H2,1H3
HMDB33822	3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid	COC1=C(Cl)C(O)=C(Cl)C(C)=C1C(O)=O	InChI=1S/C9H8Cl2O4/c1-3-4(9(13)14)8(15-2)6(11)7(12)5(3)10/h12H,1-2H3,(H,13,14)
HMDB33823	Coffeasterene	C\C=C(/CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)\C(=C/C)C1CC3)C(C)C	InChI=1S/C31H50O/c1-8-22(20(3)4)11-10-21(5)25-14-15-27-24-12-13-26-23(9-2)29(32)17-19-31(26,7)28(24)16-18-30(25,27)6/h8-9,20-21,25-27,29,32H,10-19H2,1-7H3/b22-8+,23-9-
HMDB39606	Repandiol	OCC1OC1C#CC#CC1OC1CO	InChI=1S/C10H10O4/c11-5-9-7(13-9)3-1-2-4-8-10(6-12)14-8/h7-12H,5-6H2
HMDB33828	Desglucocheirotoxol	CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O	InChI=1S/C29H44O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,15,17-20,22-25,30,32-36H,3-10,12-14H2,1-2H3
HMDB33829	24-Ethyllophenol	CCC(CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,19-22,24-28,31H,8-10,12-18H2,1-7H3
HMDB39607	Sorgolactone	CC1CCCC2=C1C1OC(=O)\C(=C/OC3OC(=O)C(C)=C3)C1C2	InChI=1S/C18H20O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h6,8-9,12,14,16H,3-5,7H2,1-2H3/b13-8-
HMDB44003	TG(16:0/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB32656	(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one	CO\C=C/C1=C(C)C=C2OC(=O)C=CC2=C1	InChI=1S/C13H12O3/c1-9-7-12-11(3-4-13(14)16-12)8-10(9)5-6-15-2/h3-8H,1-2H3/b6-5-
HMDB02961	Dihydrotestosterone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
HMDB39605	Annoreticuin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB51370	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,64H,4-6,9,12-15,18,21-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB51371	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-6,9,12-15,18,21-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB51372	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB51373	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB51374	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-16,18-19,21-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB51375	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB08068	PC(18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h16-19,40H,6-15,20-39H2,1-5H3/b18-16-,19-17-/t40-/m1/s1
HMDB08069	PC(18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,42H,6-15,17,19-41H2,1-5H3/b18-16-/t42-/m1/s1
HMDB08066	PC(18:1(11Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h16,18,39H,6-15,17,19-38H2,1-5H3/b18-16-/t39-/m1/s1
HMDB08067	PC(18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h16,18,40H,6-15,17,19-39H2,1-5H3/b18-16-/t40-/m1/s1
HMDB08064	PC(18:1(11Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h16,18,38H,6-15,17,19-37H2,1-5H3/b18-16-/t38-/m1/s1
HMDB08065	PC(18:1(11Z)/14:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13,15-16,18,38H,6-12,14,17,19-37H2,1-5H3/b15-13-,18-16-/t38-/m1/s1
HMDB08062	PC(18:0/P-18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,36,39,43H,6-15,17,19-35,37-38,40-42H2,1-5H3/b18-16-,39-36-
HMDB08063	PC(18:0/P-18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-
HMDB08060	PC(18:0/P-16:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-
HMDB08061	PC(18:0/P-18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-
HMDB55460	TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,35,37,40,57H,4-6,8,11,13,15,20,22,24,29-30,32,34,36,38-39,41-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-
HMDB55461	TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,35,37,40-41,44,57H,4-6,8,11,13,15,20,22,24,29-30,32,34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-,44-41-
HMDB55462	TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,37,39-40,42,59H,4-6,8,11,13,15,20,22,24,29-30,34-36,38,41,43-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB55463	TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,37,39-40,42,46,49,59H,4-6,8,11,13,15,20,22,24,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB55464	TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h9,12-13,16,18,21-22,25,27,30,36,39,56H,4-8,10-11,14-15,17,19-20,23-24,26,28-29,31-35,37-38,40-55H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,30-27-,39-36-
HMDB55465	TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-32,35-37,39-40,56H,4-7,10,13-15,22-24,29,33-34,38,41-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-
HMDB55466	TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-34,36-38,41,58H,4-6,8,11,13-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-
HMDB55467	TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-34,36-38,41-42,45,58H,4-6,8,11,13-15,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB55468	TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-41,43,60H,4-6,8,11,13-15,22-24,30,32,35,37,42,44-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-
HMDB55469	TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-41,43,47,50,60H,4-6,8,11,13-15,22-24,30,32,35,37,42,44-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,50-47-
HMDB30825	2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol	COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C=C1	InChI=1S/C22H28O6/c1-7-8-15-11-19(26-5)22(20(12-15)27-6)28-14(2)21(23)16-9-10-17(24-3)18(13-16)25-4/h7,9-14,21,23H,1,8H2,2-6H3
HMDB37836	4-[(2-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid	OC1=C(\N=N/C2=CC=C(C=C2)S(O)(=O)=O)C2=C(C=CC=C2)C=C1	InChI=1S/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17-
HMDB52388	TG(24:1(15Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,42,45,65H,4-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,45-42-
HMDB30827	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; (R*,S*)-form, 3,4-Methylene, 3',5'-di-Me ether, Ac	COC1=CC(CC=C)=CC(OC)=C1OC(C)C(OC(C)=O)C1=CC2=C(OCO2)C=C1	InChI=1S/C23H26O7/c1-6-7-16-10-20(25-4)23(21(11-16)26-5)29-14(2)22(30-15(3)24)17-8-9-18-19(12-17)28-13-27-18/h6,8-12,14,22H,1,7,13H2,2-5H3
HMDB48564	TG(16:1(9Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,35,40,43,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34,36-39,41-42,44-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,35-33-,43-40-
HMDB30826	2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-methylenedioxyphenyl)-1-propanol	COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC2=C(OCO2)C=C1	InChI=1S/C21H24O6/c1-5-6-14-9-18(23-3)21(19(10-14)24-4)27-13(2)20(22)15-7-8-16-17(11-15)26-12-25-16/h5,7-11,13,20,22H,1,6,12H2,2-4H3
HMDB30821	Cichoriin	OCC1OC(OC2=C(O)C=C3C=CC(=O)OC3=C2)C(O)C(O)C1O	InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2
HMDB30820	Aesculin	OCC1OC(OC2=C(O)C=C3OC(=O)C=CC3=C2)C(O)C(O)C1O	InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2
HMDB30823	Afzelechin	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C=C1	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2
HMDB52389	TG(24:1(15Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,42,45,51,54,65H,4-16,18-19,21-24,27,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,45-42-,54-51-
HMDB30822	(-)-Epiafzelechin	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C=C1)C=C(O)C=C2O	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1
HMDB45403	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,30-31,37,40,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,40-37-
HMDB45402	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,35,38,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,38-35-
HMDB45401	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,33,36,54H,4-6,8-9,11-14,17,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,36-33-
HMDB33176	2,3-Dimethylbenzofuran	CC1=C(C)C2=C(O1)C=CC=C2	InChI=1S/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3
HMDB33177	Sapiol	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C34H70O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h35H,2-34H2,1H3
HMDB33174	Calendulaglycoside E	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)28(46)31(32(56-35)33(49)50)55-34-29(47)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)
HMDB33175	Calendulaglycoside B	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-34(57)35(65-39-32(55)30(53)28(51)23(19-49)62-39)36(37(67-41)38(58)59)66-40-33(56)31(54)29(52)24(20-50)63-40/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)
HMDB33172	3-Methylpyrrolo[1,2-a]pyrazine	CC1=CN2C=CC=C2N=N1	InChI=1S/C7H7N3/c1-6-5-10-4-2-3-7(10)9-8-6/h2-5H,1H3
HMDB33173	4-Methylpyrrolo[1,2-a]pyrazine	CC1=CN=CC2=CC=CN12	InChI=1S/C8H8N2/c1-7-5-9-6-8-3-2-4-10(7)8/h2-6H,1H3
HMDB33170	Calenduloside A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-34-32(49)30(47)33(24(20-44)53-34)55-35-31(48)29(46)28(45)23(19-43)52-35/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)
HMDB33171	1-Methylpyrrolo[1,2-a]pyrazine	CC1=NC=CN2C=CC=C12	InChI=1S/C8H8N2/c1-7-8-3-2-5-10(8)6-4-9-7/h2-6H,1H3
HMDB30829	Aloeemodin	OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O	InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
HMDB40958	Capsicoside E1	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)39(67)46(33(17-60)78-50)81-53-48(47(37(65)31(15-58)77-53)82-49-41(69)35(63)27(62)19-73-49)83-52-44(72)40(68)45(32(16-59)79-52)80-51-42(70)38(66)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3
HMDB33178	5-Methylquinoxaline	CC1=CC=CC2=C1N=CC=N2	InChI=1S/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3
HMDB33179	4-Hydroxyphenylthiocarbamic acid; OH-form, Et ester	CCOC(=S)NC1=CC=C(O)C=C1	InChI=1S/C9H11NO2S/c1-2-12-9(13)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,13)
HMDB40959	Capsicoside C2	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(52)33(50)37(29(16-46)58-40)59-41-36(53)38(32(49)28(15-45)57-41)60-39-34(51)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3
HMDB32889	1-[(2,5-Dimethylphenyl)azo]-2-naphthalenol	CC1=CC(N=NC2=C(O)C=CC3=C2C=CC=C3)=C(C)C=C1	InChI=1S/C18H16N2O/c1-12-7-8-13(2)16(11-12)19-20-18-15-6-4-3-5-14(15)9-10-17(18)21/h3-11,21H,1-2H3
HMDB32888	Acetyl vitamin K5	CC(=O)NC1=CC(C)=C(O)C2=C1C=CC=C2	InChI=1S/C13H13NO2/c1-8-7-12(14-9(2)15)10-5-3-4-6-11(10)13(8)16/h3-7,16H,1-2H3,(H,14,15)
HMDB32885	Amaranth	OC1=C(\N=N\C2=CC=C(C3=C2C=CC=C3)S(O)(=O)=O)C2=C(C=C(C=C2)S(O)(=O)=O)C=C1S(O)(=O)=O	InChI=1S/C20H14N2O10S3/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b22-21+
HMDB32884	Allura red AC	COC1=C(C=C(C)C(=C1)S(O)(=O)=O)N=NC1=C(O)C=CC2=C1C=CC(=C2)S(O)(=O)=O	InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)
HMDB32887	4-Amino-2-methyl-1-naphthol	CC1=C(O)C2=C(C=CC=C2)C(N)=C1	InChI=1S/C11H11NO/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,13H,12H2,1H3
HMDB32886	Orange I	OC1=CC=C(\N=N/C2=CC=C(C=C2)S(O)(=O)=O)C2=C1C=CC=C2	InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17-
HMDB32881	Isofucosterol 3-O-[6-O-(9,12-Octadecadienoyl)-b-D-glucopyranoside]	CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O	InChI=1S/C53H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h9,13-14,16-17,27,37-38,41-46,48-51,55-57H,8,10-12,15,18-26,28-36H2,1-7H3/b14-13+,17-16+,39-9+
HMDB32880	trans-Zeatin-O-glucoside riboside	C\C(COC1OC(CO)C(O)C(O)C1O)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O	InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+
HMDB32883	1,4,5-Naphthalenetriol	OC1=CC=CC2=C(O)C=CC(O)=C12	InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H
HMDB32882	28-Norcyclomusalenone	CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4CC(=O)CCC44CC34CCC12C	InChI=1S/C29H46O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-22,24-25H,1,7-18H2,2-6H3
HMDB42138	TG(14:0/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h13,16,22,24,49H,4-12,14-15,17-21,23,25-48H2,1-3H3/b16-13-,24-22-
HMDB08930	PE(16:0/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37H,3-4,6,8-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-/t37-/m1/s1
HMDB08931	PE(16:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,22,24,37H,3-4,6,8-10,12,14-16,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-,24-22-/t37-/m1/s1
HMDB08932	PE(16:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
HMDB08933	PE(16:0/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,39H,3-16,19-38,42H2,1-2H3,(H,45,46)/b18-17-/t39-/m1/s1
HMDB08934	PE(16:0/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,39H,3-10,12,14-16,19-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-/t39-/m1/s1
HMDB08935	PE(16:0/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,39H,3-16,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b18-17-,22-20-,28-26-/t39-/m1/s1
HMDB08936	PE(16:0/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,39H,3-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-/t39-/m1/s1
HMDB08937	PE(16:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,39H,3-10,12,14-16,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-,28-26-/t39-/m1/s1
HMDB08938	PE(16:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,39H,3-4,6,8-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-/t39-/m1/s1
HMDB08939	PE(16:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,39H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-,28-26-/t39-/m1/s1
HMDB43941	TG(16:0/20:0/16:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h52H,4-51H2,1-3H3
HMDB42079	TG(14:0/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h16,19,23-24,26-27,48H,4-15,17-18,20-22,25,28-47H2,1-3H3/b19-16-,24-23-,27-26-
HMDB42078	TG(14:0/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2/h13,16,22-23,47H,4-12,14-15,17-21,24-46H2,1-3H3/b16-13-,23-22-
HMDB46947	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB46946	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,36,39,45,48,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,39-36-,48-45-
HMDB46945	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB46944	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37-38,41,43,46,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB42139	TG(14:0/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,50H,4-15,17-18,20-23,26,28,30-49H2,1-3H3/b19-16-,25-24-,29-27-
HMDB46942	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,33,35-36,41-42,44-45,62H,4-7,9-10,12-16,19,22-25,28,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB46941	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,34,36-37,42,45,63H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-33,35,38-41,43-44,46-62H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,37-30-,45-42-
HMDB46940	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-37-,50-47-
HMDB46949	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41,44,62H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-
HMDB46948	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,55,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB09087	PE(18:2(9Z,12Z)/15:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,36H,3-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-/t36-/m1/s1
HMDB09086	PE(18:2(9Z,12Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13,16-17,35H,3-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-/t35-/m1/s1
HMDB09085	PE(18:2(9Z,12Z)/14:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,35H,3-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-/t35-/m1/s1
HMDB09084	PE(18:1(9Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33,36,40H,3-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,20-18-,36-33-/t40-/m1/s1
HMDB09083	PE(18:1(9Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,33,36,40H,3-12,14,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,20-18-,36-33-/t40-/m1/s1
HMDB09082	PE(18:1(9Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,36,40H,3-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b20-18-,36-33-/t40-/m1/s1
HMDB09081	PE(18:1(9Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,31,34,38H,3-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b19-17-,34-31-/t38-/m1/s1
HMDB09080	PE(18:1(9Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17-19,25,45H,3-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b19-17-,25-18-/t45-/m1/s1
HMDB40955	4,9-Dihydroxy-10(14)-oplopen-3-one; (4S,9a)-form, 9-Angeloyl, 4-Ac	C\C=C(\C)C(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)OC(C)=O)C1=C	InChI=1S/C22H32O5/c1-8-12(4)22(25)27-19-10-16(11(2)3)21-17(13(19)5)9-18(24)20(21)14(6)26-15(7)23/h8,11,14,16-17,19-21H,5,9-10H2,1-4,6-7H3/b12-8-
HMDB09089	PE(18:2(9Z,12Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37H,3-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-/t37-/m1/s1
HMDB09088	PE(18:2(9Z,12Z)/16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1
HMDB29108	Tyrosyl-Isoleucine	CCC(C)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)
HMDB29109	Tyrosyl-Leucine	CC(C)CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)
HMDB45764	TG(20:0/20:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h27,30,62H,4-26,28-29,31-61H2,1-3H3/b30-27-
HMDB45765	TG(20:0/20:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h27,30,64H,4-26,28-29,31-63H2,1-3H3/b30-27-
HMDB42389	TG(14:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,32,35,41,44,54H,4-6,8-9,11-15,17-18,20-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,35-32-,44-41-
HMDB42388	TG(14:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,32,35,54H,4-6,8-9,11-15,17-18,20-23,27,31,33-34,36-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,35-32-
HMDB45760	TG(20:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,41-38-
HMDB45761	TG(20:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,41-38-,50-47-
HMDB29100	Tyrosyl-Asparagine	NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C13H17N3O5/c14-9(6-11(15)18)12(19)16-10(13(20)21)5-7-1-3-8(17)4-2-7/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)
HMDB29101	Tyrosyl-Aspartate	NC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C13H16N2O6/c14-9(6-11(17)18)12(19)15-10(13(20)21)5-7-1-3-8(16)4-2-7/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)
HMDB29102	Tyrosyl-Cysteine	NC(CS)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C12H16N2O4S/c13-9(6-19)11(16)14-10(12(17)18)5-7-1-3-8(15)4-2-7/h1-4,9-10,15,19H,5-6,13H2,(H,14,16)(H,17,18)
HMDB29103	Tyrosyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C14H19N3O5/c15-10(5-6-12(16)19)13(20)17-11(14(21)22)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)
HMDB29104	Tyrosyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C14H18N2O6/c15-10(5-6-12(18)19)13(20)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/p-1
HMDB29105	Tyrosyl-Glycine	NCC(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)
HMDB29106	Tyrosyl-Hydroxyproline	OC1CNC(C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C14H18N2O5/c17-9-3-1-8(2-4-9)5-12(14(20)21)16-13(19)11-6-10(18)7-15-11/h1-4,10-12,15,17-18H,5-7H2,(H,16,19)(H,20,21)
HMDB29107	Tyrosyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C15H18N4O4/c16-12(6-10-7-17-8-18-10)14(21)19-13(15(22)23)5-9-1-3-11(20)4-2-9/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)
HMDB13404	PC(o-16:0/16:1(9Z))	CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,39H,6-16,18,20-38H2,1-5H3/b19-17-/t39-/m1/s1
HMDB13405	PC(o-16:0/18:0)	[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1
HMDB13406	PC(o-16:0/20:0)	[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C44H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1
HMDB13407	PC(o-16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,43H,6-7,9,11-13,15,17-19,21,23,26-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-/t43-/m1/s1
HMDB46499	TG(22:0/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,32,58H,4-7,9-10,12-16,18-19,22-23,25,27-31,33-57H2,1-3H3/b11-8-,20-17-,24-21-,32-26-
HMDB46498	TG(22:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,39,42,48,51,62H,4-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,42-39-,51-48-
HMDB13402	PC(o-14:0/16:1(9Z))	CCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-38(40)46-37(36-45-47(41,42)44-34-32-39(3,4)5)35-43-33-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,37H,6-15,17,19-36H2,1-5H3/b18-16-/t37-/m1/s1
HMDB13403	PC(o-16:0/14:1(9Z))	CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15,37H,6-12,14,16-36H2,1-5H3/b15-13-/t37-/m1/s1
HMDB46495	TG(22:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,37,43,46,60H,4-16,18-19,22-23,25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b20-17-,24-21-,29-26-,37-35-,46-43-
HMDB11631	L-3-Hydroxykynurenine	N[C@@H](CC(=O)C1=CC=CC(O)=C1N)C(O)=O	InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1
HMDB46497	TG(22:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,39,42,62H,4-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,42-39-
HMDB46496	TG(22:0/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,62H,4-15,17-18,20,22-23,26-27,29-61H2,1-3H3/b19-16-,24-21-,28-25-
HMDB13408	PC(o-16:0/22:0)	[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C46H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1
HMDB13409	PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-/t45-/m1/s1
HMDB46493	TG(22:0/18:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,59H,4-13,15-16,18-20,22,25,27-58H2,1-3H3/b17-14-,24-21-,26-23-
HMDB46492	TG(22:0/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,32,38,41,58H,4-16,18-19,22-23,25,27-31,33-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,32-26-,41-38-
HMDB32229	Dimethyl dialkyl ammonium chloride	CCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC	InChI=1S/C35H74N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-35H2,1-4H3/q+1
HMDB32228	Dimethylbenzyl carbinyl hexanoate	CCCCCC(=O)OC(C)(C)CC1=CC=CC=C1	InChI=1S/C16H24O2/c1-4-5-7-12-15(17)18-16(2,3)13-14-10-8-6-9-11-14/h6,8-11H,4-5,7,12-13H2,1-3H3
HMDB44866	TG(18:0/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,36,39,52H,4-14,16-17,19-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,31-29-,39-36-
HMDB32221	Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine	CC(C)CC1NC(CC(C)C)SC(CC(C)C)S1	InChI=1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3
HMDB32220	Dihydronootkatone	CC(=C)C1CCC2(C)CCC(=O)CC2(C)C1	InChI=1S/C15H24O/c1-11(2)12-5-7-14(3)8-6-13(16)10-15(14,4)9-12/h12H,1,5-10H2,2-4H3
HMDB32223	Diisopentyl thiomalate	CC(C)CCOC(=O)CC(S)C(=O)OCCC(C)C	InChI=1S/C14H26O4S/c1-10(2)5-7-17-13(15)9-12(19)14(16)18-8-6-11(3)4/h10-12,19H,5-9H2,1-4H3
HMDB32222	Dihydroxyacetone (dimer)	OCC1(O)COC(O)(CO)CO1	InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
HMDB32225	1,1-Dimethoxy-trans-2-hexene	CCC\C=C\C(OC)OC	InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+
HMDB32224	N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide	COC1=CC=C(CNC(=O)C(=O)NCCC2=NC=CC=C2)C(OC)=C1	InChI=1S/C18H21N3O4/c1-24-15-7-6-13(16(11-15)25-2)12-21-18(23)17(22)20-10-8-14-5-3-4-9-19-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)
HMDB32227	Dimethylbenzyl carbinyl crotonate	CC=CC(=O)OC(C)(C)CC1=CC=CC=C1	InChI=1S/C14H18O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h4-10H,11H2,1-3H3/b8-4+
HMDB32226	N-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4-dimethoxycinnamic acid amide	COC1=CC=C(\C=C\C(=O)NCCC2=CC(OC)=C(OC)C=C2)C=C1OC	InChI=1S/C21H25NO5/c1-24-17-8-5-15(13-19(17)26-3)7-10-21(23)22-12-11-16-6-9-18(25-2)20(14-16)27-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-7+
HMDB43944	TG(16:0/20:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB44867	TG(18:0/14:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,24,26,54H,4-14,16-17,19-23,25,27-53H2,1-3H3/b18-15-,26-24-
HMDB49070	TG(16:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,38,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,38-35-
HMDB49071	TG(16:1(9Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,38,44,47,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,38-35-,47-44-
HMDB43945	TG(16:0/20:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB49076	TG(18:1(11Z)/14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h20,23-24,26,54H,4-19,21-22,25,27-53H2,1-3H3/b23-20-,26-24-
HMDB49077	TG(18:1(11Z)/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h20,23-24,26,56H,4-19,21-22,25,27-55H2,1-3H3/b23-20-,26-24-
HMDB43386	TG(15:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,39,42,61H,4-16,18-19,21-24,29-32,34,36-38,40-41,43-60H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-39-
HMDB43387	TG(15:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,39,42,48,51,61H,4-16,18-19,21-24,29-32,34,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-39-,51-48-
HMDB43384	TG(15:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,43,46,59H,4-16,18-19,21-24,29-34,36,38-42,44-45,47-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-,46-43-
HMDB43385	TG(15:0/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,61H,4-16,18-19,21-24,29-60H2,1-3H3/b20-17-,27-25-,28-26-
HMDB43382	TG(15:0/24:1(15Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,58H,4-13,15-16,18-22,24,28-57H2,1-3H3/b17-14-,26-23-,27-25-
HMDB43383	TG(15:0/24:1(15Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,59H,4-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-
HMDB43380	TG(15:0/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,34,58H,4-19,21-22,24,26,29-33,35-57H2,1-3H3/b23-20-,27-25-,34-28-
HMDB43381	TG(15:0/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,38,41,57H,4-16,18-19,21-24,28-32,34-37,39-40,42-56H2,1-3H3/b20-17-,27-25-,33-26-,41-38-
HMDB49075	TG(18:1(11Z)/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,29,31,36,39,52H,4-19,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b23-20-,26-24-,31-29-,39-36-
HMDB43388	TG(15:0/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-
HMDB43389	TG(15:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,38,41,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-37,39-40,42-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,41-38-
HMDB45818	TG(20:0/22:1(13Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,56H,4-14,16-17,19-23,25,27-55H2,1-3H3/b18-15-,26-24-
HMDB55762	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,9,12-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB44865	TG(18:0/14:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,52H,4-14,16-17,19-23,25,27-51H2,1-3H3/b18-15-,26-24-
HMDB46238	TG(20:0/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-
HMDB49079	TG(18:1(11Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,31,33,50H,4-15,17-18,21-22,25,27-30,32,34-49H2,1-3H3/b19-16-,23-20-,26-24-,33-31-
HMDB46231	TG(20:0/o-18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB46230	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-,51-48-
HMDB46233	TG(20:0/o-18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
HMDB46232	TG(20:0/o-18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3
HMDB46235	TG(20:0/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,55H,4-20,22-23,25-54H2,1-3H3/b24-21-
HMDB46234	TG(20:0/o-18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-
HMDB46237	TG(20:0/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h27,31,57H,4-26,28-30,32-56H2,1-3H3/b31-27-
HMDB46236	TG(20:0/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-
HMDB43947	TG(16:0/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB43038	TG(15:0/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,53H,4-15,17-18,20-24,27,30-31,33,35-52H2,1-3H3/b19-16-,26-25-,29-28-,34-32-
HMDB43039	TG(15:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,40,43,53H,4-15,17-18,20-24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b19-16-,26-25-,29-28-,34-32-,43-40-
HMDB45819	TG(20:0/22:1(13Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-
HMDB43034	TG(15:0/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h13,16,22,25,50H,4-12,14-15,17-21,23-24,26-49H2,1-3H3/b16-13-,25-22-
HMDB43035	TG(15:0/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,51H,4-15,17-18,20-24,27,29,31-50H2,1-3H3/b19-16-,26-25-,30-28-
HMDB43037	TG(15:0/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19,25-26,53H,4-15,17-18,20-24,27-52H2,1-3H3/b19-16-,26-25-
HMDB43030	TG(15:0/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h25-26,53H,4-24,27-52H2,1-3H3/b26-25-
HMDB43031	TG(15:0/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-23-20-17-14-11-8-5-2/h25-26,55H,4-24,27-54H2,1-3H3/b26-25-
HMDB43032	TG(15:0/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h19,22,26-27,50H,4-18,20-21,23-25,28-49H2,1-3H3/b22-19-,27-26-
HMDB43033	TG(15:0/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19,25-26,30,33,49H,4-15,17-18,20-24,27-29,31-32,34-48H2,1-3H3/b19-16-,26-25-,33-30-
HMDB47728	TG(14:1(9Z)/14:0/20:1(11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,17,23-24,48H,4-13,15-16,18-22,25-47H2,1-3H3/b17-14-,24-23-
HMDB47729	TG(14:1(9Z)/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,17,23-24,26-27,32,35,48H,4-13,15-16,18-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,24-23-,27-26-,35-32-
HMDB47724	TG(14:1(9Z)/14:0/14:1(9Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C45H82O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,42H,4-12,15,18-41H2,1-3H3/b16-13-,17-14-
HMDB47725	TG(14:1(9Z)/14:0/16:1(9Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14,17,19,22,44H,4-13,15-16,18,20-21,23-43H2,1-3H3/b17-14-,22-19-
HMDB47726	TG(14:1(9Z)/14:0/18:1(11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,17,19,22,46H,4-13,15-16,18,20-21,23-45H2,1-3H3/b17-14-,22-19-
HMDB47727	TG(14:1(9Z)/14:0/18:1(9Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,17,23-24,46H,4-13,15-16,18-22,25-45H2,1-3H3/b17-14-,24-23-
HMDB47720	TG(24:0/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-
HMDB47721	TG(24:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,46,49,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-,49-46-
HMDB47722	TG(24:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,45-42-
HMDB47723	TG(24:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,42,45,51,54,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,45-42-,54-51-
HMDB52384	TG(24:1(15Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-40-43-46-49-52-55-58-64(66)69-61-62(67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)60-68-63(65)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,62H,4-13,15-16,18-22,24,27,29-61H2,1-3H3/b17-14-,26-23-,28-25-
HMDB57619	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB44860	TG(18:0/14:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-
HMDB57618	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-20,22-24,27,29,31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB54491	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,37,63H,4-15,18,22-23,27,31-36,38-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,37-30-
HMDB52385	TG(24:1(15Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,63H,4-16,18-19,21-24,27,30-36,38-39,41-62H2,1-3H3/b20-17-,28-25-,29-26-,40-37-
HMDB57614	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,37,73-75,80H,5-24,26,30,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,31-27-,32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB31149	Phaeophorbide b	CCC1=C(C=O)C2=N\C\1=C/C1=C(C)C3=C(N1)\C(C(C(=O)OC)C3=O)=C1/N=C(/C=C3\N/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O	InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36,39H,1,8-10H2,2-6H3,(H,41,42)/b22-11-,23-11-,24-12-,25-13-,26-12-,27-13-,32-30-
HMDB31148	Protochlorophyllide	COC(=O)C1C(=O)C2=C3N4C(C=C5C(C=C)=C(C)C6=[N]5[Mg]44N5C(=CC7=[N]4C(C(CCC(O)=O)=C7C)=C13)C(C)=C(C=C)C5=C6)=C2C	InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;
HMDB34319	Furofoline	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC=C1)C=C2O	InChI=1S/C16H11NO3/c1-17-11-5-3-2-4-9(11)16(19)14-12(18)8-13-10(15(14)17)6-7-20-13/h2-8,18H,1H3
HMDB34318	Sennidin C	OCC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=CC=C1C2C1C2=CC=CC(O)=C2C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C30H20O9/c31-11-12-7-16-22(14-3-1-5-18(32)24(14)28(36)26(16)20(34)8-12)23-15-4-2-6-19(33)25(15)29(37)27-17(23)9-13(30(38)39)10-21(27)35/h1-10,22-23,31-35H,11H2,(H,38,39)
HMDB57613	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,36,71-73,78H,5-24,26,30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB34313	Glucocaffeic acid	OCC1OC(OC2=C(O)C=C(\C=C\C(O)=O)C=C2)C(O)C(O)C1O	InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+
HMDB31140	Austalide D	COC1=C2CC3C(C)(CC(O)C45OC(CC(OC(C)=O)C34C)(OC)OC5(C)C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)10-18(30)28-24(3,4)37-27(33-8,38-28)11-19(26(17,28)6)35-14(2)29/h17-19,30H,9-12H2,1-8H3
HMDB34311	Sennoside F	[H][C@]1(C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C(O)=O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C44H38O23/c45-11-23-31(49)35(53)37(55)43(65-23)63-21-5-1-3-15-25(17-7-13(39(56)57)9-19(47)27(17)33(51)29(15)21)26-16-4-2-6-22(30(16)34(52)28-18(26)8-14(40(58)59)10-20(28)48)64-44-38(67-42(62)41(60)61)36(54)32(50)24(12-46)66-44/h1-10,23-26,31-32,35-38,43-50,53-55H,11-12H2,(H,56,57)(H,58,59)(H,60,61)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,43-,44-/m1/s1
HMDB31142	Glycerol 1,3-di-(9Z-octadecenoate) 2-octadecanoate	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,54H,4-24,27,30-53H2,1-3H3/b28-25+,29-26+
HMDB31145	5-Dodecyldihydro-2(3H)-furanone	CCCCCCCCCCCCC1CCC(=O)O1	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h15H,2-14H2,1H3
HMDB31144	Glycerol 1,2-di-(9Z-octadecenoate) 3-octadecanoate	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25+,30-27+
HMDB34315	3-(3,4-Dimethoxyphenyl)-2-propenoic acid	COC1=C(OC)C=C(\C=C\C(O)=O)C=C1	InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
HMDB34314	Fusaroskyrin	COC1=CC(O)=C2C(=O)C3=C(C(O)=C(C)C=C3O)C(=O)C2=C1C1=C(OC)C=C(O)C2=C1C(=O)C1=C(C(O)=CC(C)=C1O)C2=O	InChI=1S/C32H22O12/c1-9-5-11(33)19-25(27(9)37)31(41)23-17(29(19)39)13(35)7-15(43-3)21(23)22-16(44-4)8-14(36)18-24(22)32(42)26-20(30(18)40)12(34)6-10(2)28(26)38/h5-8,33-38H,1-4H3
HMDB44569	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-24,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,39-36-,48-45-
HMDB44568	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-34-,46-43-
HMDB44567	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-16,18-19,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB44566	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,35,41,44,56H,4-7,9-10,12-16,18-19,21-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-32-,44-41-
HMDB44565	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,39,42,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-,42-39-
HMDB44564	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,33,39,42,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,33-30-,42-39-
HMDB44563	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,28,31,37,40,52H,4-6,8-9,11-15,17-18,21-22,24,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,31-28-,40-37-
HMDB44562	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,35,38,50H,4-6,8-9,11-14,17,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-,38-35-
HMDB44561	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-26-,39-36-,48-45-
HMDB44560	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,28-26-,37-34-,46-43-
HMDB15028	Sulfapyridine	NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1	InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
HMDB15029	Oxybuprocaine	CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC	InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
HMDB15024	Bumetanide	CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O	InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
HMDB15025	Mechlorethamine	CN(CCCl)CCCl	InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
HMDB15026	Granisetron	CN1N=C(C(=O)NC2CC3CCCC(C2)N3C)C2=CC=CC=C12	InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
HMDB15027	Dienestrol	CC=C(C(=CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
HMDB15020	Clomifene	CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+
HMDB15021	Isosorbide Dinitrate	[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O	InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
HMDB15022	Risedronate	OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O	InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
HMDB15023	Pemirolast	CC1=CC=CN2C(=O)C(=CN=C12)C1=NNN=N1	InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)
HMDB42806	TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,34,37,52H,4-6,9,12-15,18,21-23,27,31-33,35-36,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-
HMDB14992	Levorphanol	[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2	InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
HMDB14991	Temozolomide	CN1N=NC2=C(N=CN2C1=O)C(N)=O	InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)
HMDB42805	TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,31-32,34-35,50H,4-6,9,12-15,18,21-23,28-30,33,36-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-
HMDB14997	Penicillamine	CC(C)(S)C(N)C(O)=O	InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
HMDB14996	Drostanolone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C	InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1
HMDB14995	Terbinafine	CN(CC=CC#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12	InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
HMDB14994	Chlorphenesin	OCC(O)COC1=CC=C(Cl)C=C1	InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
HMDB14999	Diflunisal	OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1	InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
HMDB14998	Prednisolone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
HMDB42808	TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,32,35-36,39,54H,4-6,9,12-15,18,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-
HMDB42809	TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,32,35-36,39,41,44,54H,4-6,9,12-15,18,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-
HMDB52269	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,43,49,52,58,61,70H,4-17,19-20,22-24,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-38-,52-49-,61-58-
HMDB52268	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,43,46,65H,4-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,46-43-
HMDB37668	Cinnamtannin B2	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@](OC5=CC(O)=C34)(OC3=C([C@@H]4[C@@H](O)[C@H](OC5=CC(O)=CC(O)=C45)C4=CC=C(O)C(O)=C4)C(O)=CC(O)=C63)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1
HMDB37669	Cinnamtannin D2	O[C@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@](OC5=CC(O)=C34)(OC3=C([C@@H]4[C@@H](O)[C@H](OC5=CC(O)=CC(O)=C45)C4=CC=C(O)C(O)=C4)C(O)=CC(O)=C63)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48+,49-,50+,51+,52+,53+,54+,55+,59+,60+/m0/s1
HMDB37662	3,3',4',5,7-Pentahydroxyflavan(4-&gt;8)-3,4',5,7-tetrahydroxyflavan	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC=C(O)C=C1	InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2
HMDB37663	Epicatechin 3-O-gallate-(4beta-&gt;6)-epicatechin 3-O-gallate-(4beta-&gt;6)-epicatechin 3-O-gallate	OC1C(OC2=CC(O)=CC(O)=C2C1C1=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C2OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=C(O)C=C4OC(C(CC4=C3O)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C=C3)C2=C1O)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C66H50O30/c67-27-16-35(74)48-44(17-27)92-61(22-2-5-30(69)33(72)8-22)59(87)52(48)50-46(94-64(88)24-10-37(76)55(83)38(77)11-24)20-45-51(58(50)86)53(63(62(93-45)23-3-6-31(70)34(73)9-23)96-66(90)26-14-41(80)57(85)42(81)15-26)49-36(75)19-43-28(54(49)82)18-47(60(91-43)21-1-4-29(68)32(71)7-21)95-65(89)25-12-39(78)56(84)40(79)13-25/h1-17,19-20,47,52-53,59-63,67-87H,18H2
HMDB37660	Arecatannin A3	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C(C5C(O)C(OC6=C(C7C(O)C(OC8=C(C9C(O)C(OC%10=CC(O)=CC(O)=C9%10)C9=CC(O)=C(O)C=C9)C(O)=CC(O)=C78)C7=CC(O)=C(O)C=C7)C(O)=CC(O)=C56)C5=CC(O)=C(O)C=C5)C(O)=CC(O)=C34)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2
HMDB37661	Cinnamtannin A2	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=CC(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1
HMDB37666	3,3',4',5,7-Pentahydroxyflavan(4-&gt;8)-3,3',4',5,7-pentahydroxyflavan(4-&gt;6)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,2''R,3R,3'R,3''S,4R,4'R)-form, 3,3'-Bis(3,4,5-trihydroxybenzoyl)	OC1CC2=C(O)C(C3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC4=C(C5C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(OC6=CC(O)=CC(O)=C56)C5=CC(O)=C(O)C=C5)C(O)=CC(O)=C34)C3=CC(O)=C(O)C=C3)=C(O)C=C2OC1C1=CC=C(O)C(O)=C1	InChI=1S/C59H46O26/c60-24-14-32(67)43-42(15-24)82-53(20-2-5-27(62)30(65)8-20)56(84-58(79)22-10-36(71)50(77)37(72)11-22)47(43)45-33(68)17-34(69)46-48(44-35(70)18-41-25(49(44)76)16-40(75)52(81-41)19-1-4-26(61)29(64)7-19)57(85-59(80)23-12-38(73)51(78)39(74)13-23)54(83-55(45)46)21-3-6-28(63)31(66)9-21/h1-15,17-18,40,47-48,52-54,56-57,60-78H,16H2
HMDB37667	o-Tolyl salicylate	CC1=C(OC(=O)C2=C(O)C=CC=C2)C=CC=C1	InChI=1S/C14H12O3/c1-10-6-2-5-9-13(10)17-14(16)11-7-3-4-8-12(11)15/h2-9,15H,1H3
HMDB37664	Epicatechin 3-O-gallate-(4beta-&gt;6)-epicatechin 3-O-gallate-(4beta-&gt;8)-epicatechin 3-O-gallate	OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1)C1=C(O)C=C2OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=C4OC(C(CC4=C(O)C=C3O)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C=C3)C2=C1O)C1=CC(O)=C(O)C=C1	InChI=1S/C66H50O30/c67-27-16-36(75)48-45(17-27)91-59(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-41(80)55(85)42(81)13-25)52(48)49-38(77)20-46-51(57(49)87)53(63(60(92-46)23-3-6-31(70)35(74)9-23)96-66(90)26-14-43(82)56(86)44(83)15-26)50-37(76)19-32(71)28-18-47(93-64(88)24-10-39(78)54(84)40(79)11-24)58(94-61(28)50)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,58-60,62-63,67-87H,18H2
HMDB37665	Epicatechin 3-O-gallate-(4beta-&gt;6)-epicatechin 3-O-gallate-(4beta-&gt;8)-catechin	OC1CC2=C(O)C=C(O)C(C3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC4=CC(O)=C(C5C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(OC6=CC(O)=CC(O)=C56)C5=CC(O)=C(O)C=C5)C(O)=C34)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C59H46O26/c60-24-14-33(68)43-41(15-24)81-53(20-2-5-27(62)31(66)8-20)56(84-58(79)22-10-36(71)49(76)37(72)11-22)47(43)44-35(70)18-42-46(51(44)78)48(45-34(69)17-29(64)25-16-40(75)52(83-55(25)45)19-1-4-26(61)30(65)7-19)57(54(82-42)21-3-6-28(63)32(67)9-21)85-59(80)23-12-38(73)50(77)39(74)13-23/h1-15,17-18,40,47-48,52-54,56-57,60-78H,16H2
HMDB45813	TG(20:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,17-18,20-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB52265	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,39-40,43,45,48-49,52,66H,4-8,10-11,13-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB43428	TG(15:0/18:3(6Z,9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,37,40,55H,4-16,18-19,21-25,27-30,32-36,38-39,41-54H2,1-3H3/b20-17-,31-26-,40-37-
HMDB59284	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-37,40-44,48-49,51-52,60,64,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,38-39,45-47,50,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,64-60-/t81?,82-,83-/m1/s1
HMDB45814	TG(20:0/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,34,37,43,46,59H,4-25,27-28,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b29-26-,37-34-,46-43-
HMDB14379	Reboxetine	[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1	InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
HMDB14378	Aminosalicylic Acid	NC1=CC(O)=C(C=C1)C(O)=O	InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
HMDB14377	Methyclothiazide	CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O	InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)
HMDB14376	Temazepam	CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1	InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
HMDB14375	Pregabalin	CC(C)C[C@H](CN)CC(O)=O	InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
HMDB14374	Cefotiam	[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O	InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1
HMDB14373	Enflurane	FC(F)OC(F)(F)C(F)Cl	InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
HMDB14372	Lovastatin	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC	InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
HMDB14371	Guanadrel Sulfate	NC(N)=NCC1COC2(CCCCC2)O1	InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)
HMDB14370	Gadodiamide	O.[Gd+3].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O	InChI=1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3
HMDB08549	PC(22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,33,35,39,41,50H,6-14,16,18-20,22,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b17-15-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1
HMDB08548	PC(22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,33,35,50H,6-14,16,18-20,22,24-26,28,30-32,34,36-49H2,1-5H3/b17-15-,23-21-,29-27-,35-33-/t50-/m1/s1
HMDB08541	PC(22:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,29,31,48H,6-14,16,18-20,22,24-28,30,32-47H2,1-5H3/b17-15-,23-21-,31-29-/t48-/m1/s1
HMDB08540	PC(22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h21,23,29,31,35,37,48H,6-20,22,24-28,30,32-34,36,38-47H2,1-5H3/b23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08543	PC(22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,29,31,48H,6-8,10,12-14,16,18-20,22,24-28,30,32-47H2,1-5H3/b11-9-,17-15-,23-21-,31-29-/t48-/m1/s1
HMDB08542	PC(22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,29,31,35,37,48H,6-14,16,18-20,22,24-28,30,32-34,36,38-47H2,1-5H3/b17-15-,23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08545	PC(22:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1
HMDB08544	PC(22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,29,31,35,37,48H,6-8,10,12-14,16,18-20,22,24-28,30,32-34,36,38-47H2,1-5H3/b11-9-,17-15-,23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08547	PC(22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,50H,6-14,16,18-20,22,24-49H2,1-5H3/b17-15-,23-21-/t50-/m1/s1
HMDB08546	PC(22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,50H,6-20,22,24-49H2,1-5H3/b23-21-/t50-/m1/s1
HMDB55458	TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35-36,38-39,55H,4-7,9-10,12-16,19,22-25,28,31-34,37,40-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,39-36-
HMDB11828	Ganglioside GD1b (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C87H153N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-62(104)90-52(53(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)47-118-81-72(112)70(110)75(60(45-95)121-81)124-83-73(113)79(76(61(46-96)122-83)125-80-51(38-48(3)97)74(67(107)58(43-93)119-80)123-82-71(111)69(109)66(106)57(42-92)120-82)129-87(85(116)117)40-55(102)64(89-50(5)99)78(128-87)68(108)59(44-94)126-86(84(114)115)39-54(101)63(88-49(4)98)77(127-86)65(105)56(103)41-91/h34,36,51-61,63-83,91-96,100-103,105-113H,6-33,35,37-47H2,1-5H3,(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t51-,52+,53-,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74-,75-,76+,77?,78?,79-,80+,81-,82+,83+,86-,87+/m1/s1
HMDB11829	Ganglioside GD1b (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C89H157N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(106)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-74(114)72(112)77(62(47-97)123-83)126-85-75(115)81(78(63(48-98)124-85)127-82-53(40-50(3)99)76(69(109)60(45-95)121-82)125-84-73(113)71(111)68(108)59(44-94)122-84)131-89(87(118)119)42-57(104)66(91-52(5)101)80(130-89)70(110)61(46-96)128-88(86(116)117)41-56(103)65(90-51(4)100)79(129-88)67(107)58(105)43-93/h36,38,53-63,65-85,93-98,102-105,107-115H,6-35,37,39-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/b38-36+/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68+,69+,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81-,82+,83-,84+,85+,88-,89+/m1/s1
HMDB43865	TG(16:0/15:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h25-26,49H,4-24,27-48H2,1-3H3/b26-25-
HMDB11820	Ganglioside GD1b (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C93H167N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(110)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-78(118)76(116)81(66(51-101)127-87)130-89-79(119)85(82(67(52-102)128-89)131-86-57(44-54(3)103)80(73(113)64(49-99)125-86)129-88-77(117)75(115)72(112)63(48-98)126-88)135-93(91(122)123)46-61(108)70(95-56(5)105)84(134-93)74(114)65(50-100)132-92(90(120)121)45-60(107)69(94-55(4)104)83(133-92)71(111)62(109)47-97/h57-67,69-89,97-102,106-109,111-119H,6-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85-,86+,87-,88+,89+,92-,93+/m1/s1
HMDB11821	Ganglioside GD1b (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C93H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(110)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-78(118)76(116)81(66(51-101)127-87)130-89-79(119)85(82(67(52-102)128-89)131-86-57(44-54(3)103)80(73(113)64(49-99)125-86)129-88-77(117)75(115)72(112)63(48-98)126-88)135-93(91(122)123)46-61(108)70(95-56(5)105)84(134-93)74(114)65(50-100)132-92(90(120)121)45-60(107)69(94-55(4)104)83(133-92)71(111)62(109)47-97/h20-21,57-67,69-89,97-102,106-109,111-119H,6-19,22-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/b21-20-/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85-,86+,87-,88+,89+,92-,93+/m1/s1
HMDB11822	Ganglioside GD1b (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C79H137N3O39/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-45(92)44(82-54(96)29-27-25-23-20-15-13-11-9-7-2)39-110-73-64(104)62(102)67(52(37-87)113-73)116-75-65(105)71(68(53(38-88)114-75)117-72-43(30-40(3)89)66(59(99)50(35-85)111-72)115-74-63(103)61(101)58(98)49(34-84)112-74)121-79(77(108)109)32-47(94)56(81-42(5)91)70(120-79)60(100)51(36-86)118-78(76(106)107)31-46(93)55(80-41(4)90)69(119-78)57(97)48(95)33-83/h26,28,43-53,55-75,83-88,92-95,97-105H,6-25,27,29-39H2,1-5H3,(H,80,90)(H,81,91)(H,82,96)(H,106,107)(H,108,109)/b28-26+/t43-,44+,45-,46+,47+,48-,49-,50-,51-,52-,53-,55-,56-,57-,58+,59+,60-,61+,62-,63-,64-,65-,66-,67-,68+,69?,70?,71-,72+,73-,74+,75+,78-,79+/m1/s1
HMDB11823	Ganglioside GD1b (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C81H141N3O39/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-47(94)46(84-56(98)31-29-27-25-23-20-17-15-13-11-9-7-2)41-112-75-66(106)64(104)69(54(39-89)115-75)118-77-67(107)73(70(55(40-90)116-77)119-74-45(32-42(3)91)68(61(101)52(37-87)113-74)117-76-65(105)63(103)60(100)51(36-86)114-76)123-81(79(110)111)34-49(96)58(83-44(5)93)72(122-81)62(102)53(38-88)120-80(78(108)109)33-48(95)57(82-43(4)92)71(121-80)59(99)50(97)35-85/h28,30,45-55,57-77,85-90,94-97,99-107H,6-27,29,31-41H2,1-5H3,(H,82,92)(H,83,93)(H,84,98)(H,108,109)(H,110,111)/b30-28+/t45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,55-,57-,58-,59-,60+,61+,62-,63+,64-,65-,66-,67-,68-,69-,70+,71?,72?,73-,74+,75-,76+,77+,80-,81+/m1/s1
HMDB11824	Ganglioside GD1b (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C83H145N3O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-49(96)48(86-58(100)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-114-77-68(108)66(106)71(56(41-91)117-77)120-79-69(109)75(72(57(42-92)118-79)121-76-47(34-44(3)93)70(63(103)54(39-89)115-76)119-78-67(107)65(105)62(102)53(38-88)116-78)125-83(81(112)113)36-51(98)60(85-46(5)95)74(124-83)64(104)55(40-90)122-82(80(110)111)35-50(97)59(84-45(4)94)73(123-82)61(101)52(99)37-87/h30,32,47-57,59-79,87-92,96-99,101-109H,6-29,31,33-43H2,1-5H3,(H,84,94)(H,85,95)(H,86,100)(H,110,111)(H,112,113)/b32-30+/t47-,48+,49-,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62+,63+,64-,65+,66-,67-,68-,69-,70-,71-,72+,73?,74?,75-,76+,77-,78+,79+,82-,83+/m1/s1
HMDB11825	Ganglioside GD1b (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h32,34,49-59,61-81,89-94,98-101,103-111H,6-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b34-32+/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1
HMDB11826	Ganglioside GD1b (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H147N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h16,18,32,34,49-59,61-81,89-94,98-101,103-111H,6-15,17,19-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b18-16-,34-32+/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1
HMDB11827	Ganglioside GD1b (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H147N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h20-21,32,34,49-59,61-81,89-94,98-101,103-111H,6-19,22-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b21-20-,34-32+/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1
HMDB42336	TG(14:0/18:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB59287	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-39,42-47,50-51,54-55,62,66,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35,40-41,48-49,52-53,56-61,63-65,67-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,54-50-,55-51-,66-62-/t84?,85-,86-/m1/s1
HMDB28770	Cysteinyl-Asparagine	NC(CC(N)=O)C(=O)NC(CS)C(O)=O	InChI=1S/C7H13N3O4S/c8-3(1-5(9)11)6(12)10-4(2-15)7(13)14/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)
HMDB28771	Cysteinyl-Aspartate	NC(CC(O)=O)C(=O)NC(CS)C(O)=O	InChI=1S/C7H12N2O5S/c8-3(1-5(10)11)6(12)9-4(2-15)7(13)14/h3-4,15H,1-2,8H2,(H,9,12)(H,10,11)(H,13,14)
HMDB28772	Cysteinyl-Cysteine	NC(CS)C(=O)NC(CS)C(O)=O	InChI=1S/C6H12N2O3S2/c7-3(1-12)5(9)8-4(2-13)6(10)11/h3-4,12-13H,1-2,7H2,(H,8,9)(H,10,11)
HMDB28773	Cysteinyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CS)C(O)=O	InChI=1S/C8H15N3O4S/c9-4(1-2-6(10)12)7(13)11-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)
HMDB28774	Cysteinyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CS)C(O)=O	InChI=1S/C8H14N2O5S/c9-4(1-2-6(11)12)7(13)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/p-1
HMDB28775	Cysteinyl-Glycine	NCC(=O)NC(CS)C(O)=O	InChI=1S/C5H10N2O3S/c6-1-4(8)7-3(2-11)5(9)10/h3,11H,1-2,6H2,(H,7,8)(H,9,10)
HMDB28776	Cysteinyl-Hydroxyproline	OC1CNC(C1)C(=O)NC(CS)C(O)=O	InChI=1S/C8H14N2O4S/c11-4-1-5(9-2-4)7(12)10-6(3-15)8(13)14/h4-6,9,11,15H,1-3H2,(H,10,12)(H,13,14)
HMDB28777	Cysteinyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CS)C(O)=O	InChI=1S/C9H14N4O3S/c10-6(1-5-2-11-4-12-5)8(14)13-7(3-17)9(15)16/h2,4,6-7,17H,1,3,10H2,(H,11,12)(H,13,14)(H,15,16)
HMDB28778	Cysteinyl-Isoleucine	CCC(C)C(N)C(=O)NC(CS)C(O)=O	InChI=1S/C9H18N2O3S/c1-3-5(2)7(10)8(12)11-6(4-15)9(13)14/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)
HMDB28779	Cysteinyl-Leucine	CC(C)CC(N)C(=O)NC(CS)C(O)=O	InChI=1S/C9H18N2O3S/c1-5(2)3-6(10)8(12)11-7(4-15)9(13)14/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)
HMDB59281	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-10,12-14,16-20,24,28-32,40-42,50-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB43861	TG(16:0/15:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB15569	Terlipressin	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O	InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
HMDB15568	Vorinostat	ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1	InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
HMDB15561	Zuclopenthixol	OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1	InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-
HMDB15560	Thiothixene	CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1	InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
HMDB15563	Pargyline	CN(CC#C)CC1=CC=CC=C1	InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
HMDB15562	Isopropamide	CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C	InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1
HMDB15565	Etoricoxib	CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O	InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
HMDB15564	Lincomycin	[H][C@@]1(O[C@]([H])([C@H](NC(=O)C2C[C@@H](CCC)CN2C)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O)SC	InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11?,12-,13+,14-,15-,16-,18-/m1/s1
HMDB15567	Calcipotriol	O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1	InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
HMDB15566	Dalfopristin	CCN(CC)CCS(=O)(=O)[C@]1([H])CCN2C(=O)C3=COC(=N3)CC(=O)C[C@H](O)\C=C(\C)/C=C\CNC(=O)\C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)C12	InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9-,12-11-,23-18-/t24-,25-,28-,31?,32-/m1/s1
HMDB12021	Ganglioside GT1c (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C104H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h21-22,41,43,61-73,75-98,109-115,120-124,126-135H,7-20,23-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b22-21-,43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89-,90+,91?,92?,93?,94-,95+,96-,97+,98+,102-,103-,104+/m1/s1
HMDB12020	Ganglioside GT1c (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C104H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h41,43,61-73,75-98,109-115,120-124,126-135H,7-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89-,90+,91?,92?,93?,94-,95+,96-,97+,98+,102-,103-,104+/m1/s1
HMDB12023	Ganglioside GT2 (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C86H150N4O42/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-50(101)49(90-60(106)32-30-28-26-24-21-18-16-14-12-10-8-2)43-121-79-70(113)69(112)72(58(41-95)123-79)125-80-71(114)77(73(59(42-96)124-80)126-78-48(33-44(3)97)64(107)66(109)55(38-92)122-78)132-86(83(119)120)36-53(104)63(89-47(6)100)76(131-86)68(111)57(40-94)128-85(82(117)118)35-52(103)62(88-46(5)99)75(130-85)67(110)56(39-93)127-84(81(115)116)34-51(102)61(87-45(4)98)74(129-84)65(108)54(105)37-91/h48-59,61-80,91-96,101-105,107-114H,7-43H2,1-6H3,(H,87,98)(H,88,99)(H,89,100)(H,90,106)(H,115,116)(H,117,118)(H,119,120)/t48-,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76?,77-,78+,79-,80+,84-,85-,86+/m1/s1
HMDB12022	Ganglioside GT2 (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C84H146N4O42/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-48(99)47(88-58(104)30-28-26-24-21-16-14-12-10-8-2)41-119-77-68(111)67(110)70(56(39-93)121-77)123-78-69(112)75(71(57(40-94)122-78)124-76-46(31-42(3)95)62(105)64(107)53(36-90)120-76)130-84(81(117)118)34-51(102)61(87-45(6)98)74(129-84)66(109)55(38-92)126-83(80(115)116)33-50(101)60(86-44(5)97)73(128-83)65(108)54(37-91)125-82(79(113)114)32-49(100)59(85-43(4)96)72(127-82)63(106)52(103)35-89/h46-57,59-78,89-94,99-103,105-112H,7-41H2,1-6H3,(H,85,96)(H,86,97)(H,87,98)(H,88,104)(H,113,114)(H,115,116)(H,117,118)/t46-,47+,48-,49+,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-,71+,72?,73?,74?,75-,76+,77-,78+,82-,83-,84+/m1/s1
HMDB12025	Ganglioside GT2 (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C90H158N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h52-63,65-84,95-100,105-109,111-118H,7-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1
HMDB12024	Ganglioside GT2 (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C88H154N4O42/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(103)51(92-62(108)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-123-81-72(115)71(114)74(60(43-97)125-81)127-82-73(116)79(75(61(44-98)126-82)128-80-50(35-46(3)99)66(109)68(111)57(40-94)124-80)134-88(85(121)122)38-55(106)65(91-49(6)102)78(133-88)70(113)59(42-96)130-87(84(119)120)37-54(105)64(90-48(5)101)77(132-87)69(112)58(41-95)129-86(83(117)118)36-53(104)63(89-47(4)100)76(131-86)67(110)56(107)39-93/h50-61,63-82,93-98,103-107,109-116H,7-45H2,1-6H3,(H,89,100)(H,90,101)(H,91,102)(H,92,108)(H,117,118)(H,119,120)(H,121,122)/t50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75+,76?,77?,78?,79-,80+,81-,82+,86-,87-,88+/m1/s1
HMDB12027	Ganglioside GT2 (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C90H156N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h21-22,52-63,65-84,95-100,105-109,111-118H,7-20,23-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b22-21-/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1
HMDB12026	Ganglioside GT2 (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C90H156N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h17,19,52-63,65-84,95-100,105-109,111-118H,7-16,18,20-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b19-17-/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1
HMDB12029	Ganglioside GT2 (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C94H166N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(114)98-57(58(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-129-87-78(121)77(120)80(66(49-103)131-87)133-88-79(122)85(81(67(50-104)132-88)134-86-56(41-52(3)105)72(115)74(117)63(46-100)130-86)140-94(91(127)128)44-61(112)71(97-55(6)108)84(139-94)76(119)65(48-102)136-93(90(125)126)43-60(111)70(96-54(5)107)83(138-93)75(118)64(47-101)135-92(89(123)124)42-59(110)69(95-53(4)106)82(137-92)73(116)62(113)45-99/h56-67,69-88,99-104,109-113,115-122H,7-51H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/t56-,57+,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85-,86+,87-,88+,92-,93-,94+/m1/s1
HMDB12028	Ganglioside GT2 (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C92H162N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(112)96-55(56(107)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)49-127-85-76(119)75(118)78(64(47-101)129-85)131-86-77(120)83(79(65(48-102)130-86)132-84-54(39-50(3)103)70(113)72(115)61(44-98)128-84)138-92(89(125)126)42-59(110)69(95-53(6)106)82(137-92)74(117)63(46-100)134-91(88(123)124)41-58(109)68(94-52(5)105)81(136-91)73(116)62(45-99)133-90(87(121)122)40-57(108)67(93-51(4)104)80(135-90)71(114)60(111)43-97/h54-65,67-86,97-102,107-111,113-120H,7-49H2,1-6H3,(H,93,104)(H,94,105)(H,95,106)(H,96,112)(H,121,122)(H,123,124)(H,125,126)/t54-,55+,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82?,83-,84+,85-,86+,90-,91-,92+/m1/s1
HMDB53141	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,38-40,42-43,60H,4-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-
HMDB53140	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31-33,38-39,41-42,59H,4-13,15,20,22,24,29-30,34-37,40,43-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,42-39-
HMDB53143	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,33,35-36,41-42,44-45,62H,4-15,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB53142	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,38-40,42-44,47,60H,4-15,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB53145	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-45,49,52,62H,4-15,22-24,30-31,37-39,46-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-
HMDB53144	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-45,62H,4-15,22-24,30-31,37-39,46-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-
HMDB53147	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-33,37-42,58H,4-7,9-10,12-15,22-24,29,34-36,43-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-
HMDB53146	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-33,37,39-40,42,58H,4-7,9-10,12-15,22-24,29,34-36,38,41,43-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,42-39-
HMDB53149	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,38-40,42-44,47,60H,4-7,9-10,12-15,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB53148	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,38-40,42-43,60H,4-7,9-10,12-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-
HMDB56319	DG(20:2n6/0:0/22:5n3)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,22-23,27,29,42,45H,3-4,6,8-9,14-15,20-21,24-26,28,30-41H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-,23-22-,29-27-
HMDB56318	DG(20:2n6/0:0/20:5n3)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,23,25,29,31,40,43H,3-4,6,8-9,14-15,20-22,24,26-28,30,32-39H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-,25-23-,31-29-
HMDB05886	19-Noretiocholanolone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12[H]	InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1
HMDB31615	Dioctyltin isooctylthioglycolate	CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC	InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
HMDB53497	TG(20:2n6/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-26,57H,4-12,15,18-21,24,27-56H2,1-3H3/b16-13-,17-14-,25-22-,26-23-
HMDB53496	TG(20:2n6/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14-19,23-28,32-33,38,41,47,50,60H,4-6,8-9,11-13,20-22,29-31,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,33-32-,41-38-,50-47-
HMDB53495	TG(20:2n6/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14-19,23-28,32-33,38,41,60H,4-6,8-9,11-13,20-22,29-31,34-37,39-40,42-59H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,33-32-,41-38-
HMDB53494	TG(20:2n6/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14-19,23-28,34,36,42,45,58H,4-6,8-9,11-13,20-22,29-33,35,37-41,43-44,46-57H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,36-34-,45-42-
HMDB53493	TG(20:2n6/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14-19,23-28,34,36,58H,4-6,8-9,11-13,20-22,29-33,35,37-57H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,36-34-
HMDB53492	TG(20:2n6/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-14,16-18,21-23,25-27,30,36,39,56H,4-8,10-11,15,19-20,24,28-29,31-35,37-38,40-55H2,1-3H3/b12-9-,16-13-,17-14-,21-18-,25-22-,26-23-,30-27-,39-36-
HMDB53491	TG(20:2n6/20:2n6/18:3(9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-14,16-18,21-23,25-27,30,56H,4-8,10-11,15,19-20,24,28-29,31-55H2,1-3H3/b12-9-,16-13-,17-14-,21-18-,25-22-,26-23-,30-27-
HMDB53490	TG(20:2n6/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14-19,23-28,32-33,38,41,47,50,60H,4-13,20-22,29-31,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,33-32-,41-38-,50-47-
HMDB53499	TG(20:2n6/20:3n6/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34-35,37-38,59H,4-14,21-23,30-33,36,39-58H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-
HMDB53498	TG(20:2n6/20:3n6/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14-19,23-28,34,37,58H,4-13,20-22,29-33,35-36,38-57H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,37-34-
HMDB00639	Galactaric acid	O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O	InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
HMDB00638	Dodecanoic acid	CCCCCCCCCCCC(O)=O	InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
HMDB00633	D-Biopterin	C[C@@H](O)[C@@H](O)C1=NC2=C(NC(N)=NC2=O)N=C1	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1
HMDB00632	Dermatan	<smiles/>	InChI=1S/C18H31NO14S/c1-4-8-12(22)13(23)10(31-14(8)17(24)25)6-30-16-11(19-7(2)21)18(29-3)32-9(5-20)15(16)33-34(26,27)28/h8-16,18,20,22-23H,4-6H2,1-3H3,(H,19,21)(H,24,25)(H,26,27,28)/p-1/t8-,9+,10+,11+,12-,13-,14+,15-,16+,18+/m0/s1
HMDB00631	Deoxycholic acid glycine conjugate	[H][C@]12CCC3C4CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]4(C)[C@@H](O)CC3[C@@]1(C)CC[C@@H](O)C2	InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18?,19-,20?,21?,22+,25+,26-/m1/s1
HMDB00630	Cytosine	NC1=CC=NC(=O)N1	InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
HMDB00637	Chenodeoxycholic acid glycine conjugate	[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19?,20?,21-,24?,25+,26-/m1/s1
HMDB00635	Succinylacetone	CC(=O)CC(=O)CCC(O)=O	InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
HMDB00634	Citraconic acid	C\C(=C\C(O)=O)C(O)=O	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
HMDB11590	MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,28-29H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m0/s1
HMDB11591	Lactosylceramide (d18:1/18:0)	[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C48H91NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h29,31,36-39,41-48,50-52,54-58H,3-28,30,32-35H2,1-2H3,(H,49,53)/b31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1
HMDB11592	Lactosyceramide (d18:1/18:1(9Z))	[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCC\C=C/CCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1
HMDB11593	Lactosylcermide (d18:1/20:0)	[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C50H95NO13/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(55)51-38(39(54)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)37-61-49-47(60)45(58)48(41(36-53)63-49)64-50-46(59)44(57)43(56)40(35-52)62-50/h31,33,38-41,43-50,52-54,56-60H,3-30,32,34-37H2,1-2H3,(H,51,55)/b33-31+/t38-,39+,40+,41+,43-,44-,45+,46+,47+,48+,49+,50-/m0/s1
HMDB11594	Lactosylceramide (d18:1/22:0)	[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1
HMDB11595	Lactosylceramide (d18:1/24:0)	[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C54H103NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h35,37,42-45,47-54,56-58,60-64H,3-34,36,38-41H2,1-2H3,(H,55,59)/b37-35+/t42-,43+,44+,45+,47-,48-,49+,50+,51+,52+,53+,54-/m0/s1
HMDB11596	Queuosine	NC1=NC(=O)C2=C(N1)N(C=C2CN[C@H]1C=C[C@H](O)[C@@H]1O)C1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16?/m0/s1
HMDB06284	L-2,4-diaminobutyric acid	NCC[C@H](N)C(O)=O	InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
HMDB11599	1-Methyladenine	CN1C=NC2=NC=NC2=C1N	InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3
HMDB06280	7-a,25-Dihydroxycholesterol	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
HMDB06281	7-a,27-dihydroxycholesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO	InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
HMDB06283	20alpha-Hydroxycholesterol	[H][C@@]12CC[C@H]([C@](C)(O)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1
HMDB55662	TG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43,46,60H,4-6,13-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-
HMDB55663	TG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,32,35-36,38-41,43,62H,4-6,13-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-
HMDB55660	TG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,38,41,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-37,39-40,42-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-
HMDB55661	TG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,60H,4-6,13-15,22-24,31-33,40-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB55666	TG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,45,48,60H,4-6,13-15,22-24,31-33,40-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB55667	TG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43,45-46,48,60H,4-6,13-15,22-24,31-33,40-42,44,47,49-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB55664	TG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-6,13-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-
HMDB55665	TG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,59H,4-6,9,12-15,18,21-24,27,30-32,35,38-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB55668	TG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-6,13-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB55669	TG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-6,13-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB07211	DG(18:1(9Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,33,36H,3-15,18-32H2,1-2H3/b17-16-/t33-/m0/s1
HMDB55457	TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-33,36,38-41,43,45,48,58H,4-6,9,12-15,22-24,29,34-35,37,42,44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-,48-45-
HMDB55456	TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-33,36,38-41,43,58H,4-6,9,12-15,22-24,29,34-35,37,42,44-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-
HMDB52366	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35,38-39,44,47,53,56,65H,4-7,9-10,12-16,18-19,22-23,27,31-34,36-37,40-43,45-46,48-52,54-55,57-64H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,38-35-,39-30-,47-44-,56-53-
HMDB07218	DG(18:1(9Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-/t37-/m0/s1
HMDB52364	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,43,46,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,46-43-
HMDB52365	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C73H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,43,49,52,58,61,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-38-,52-49-,61-58-
HMDB52362	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-
HMDB52363	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,57,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-
HMDB52360	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39-40,43,45,48,66H,4-7,10,13-16,19,22-24,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-
HMDB07219	DG(18:1(9Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,37,40H,3-11,13,15-16,21-36H2,1-2H3/b14-12-,19-17-,20-18-/t37-/m0/s1
HMDB52368	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,35,38,44,47,53,56,65H,4-7,9-10,12-14,16,19,21-23,30-34,36-37,39-43,45-46,48-52,54-55,57-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,38-35-,47-44-,56-53-
HMDB52369	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39-40,43,45,48,54,57,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-
HMDB53698	TG(20:3n6/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,37-38,41,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-
HMDB54328	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB42235	TG(14:0/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,35,38,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,30-25-,38-35-
HMDB42234	TG(14:0/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-53H2,1-3H3/b11-8-,20-17-,30-25-
HMDB42237	TG(14:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,40,43,56H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,43-40-
HMDB42236	TG(14:0/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,56H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-55H2,1-3H3/b11-8-,20-17-,27-25-,34-32-
HMDB42231	TG(14:0/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,58H,4-15,17-18,20-23,25,27-57H2,1-3H3/b19-16-,26-24-
HMDB42230	TG(14:0/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,40,43,56H,4-16,18-19,21-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b20-17-,27-25-,34-32-,43-40-
HMDB10319	Inodxyl glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O	InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
HMDB10318	Pregnanediol-3-glucuronide	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)O	InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1
HMDB53692	TG(20:3n6/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,37-38,41,60H,4-15,18,21-24,27,30,32,34,36,39-40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-
HMDB42233	TG(14:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,36,39,45,48,58H,4-15,17-18,20-23,25,27-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,26-24-,32-30-,39-36-,48-45-
HMDB10311	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9-11,13-15,21-28,33-38,40,42-44,46,48,50,52,60,64,81-83,88H,5-8,12,16-20,29-32,39,41,45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB10310	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-38,40,42-44,46,48,50-52,55,60,64,81-83,88H,5-8,11-12,15-20,29-32,39,41,45,47,49,53-54,56-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,55-51-,64-60-/t81?,82-,83-/m1/s1
HMDB10313	1-Salicylate glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC=CC=C2C(O)=O)O[C@@H]([C@H]1O)C(O)=O	InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1
HMDB10312	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,29-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB10315	4-Hydroxyandrostenedione glucuronide	C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)CC[C@]34C)C1CCC2=O	InChI=1S/C25H34O9/c1-24-10-8-15(26)20(33-23-19(30)17(28)18(29)21(34-23)22(31)32)14(24)4-3-11-12-5-6-16(27)25(12,2)9-7-13(11)24/h11-13,17-19,21,23,28-30H,3-10H2,1-2H3,(H,31,32)/t11?,12?,13?,17-,18-,19+,21-,23+,24+,25-/m0/s1
HMDB10314	Beta-D-Glucopyranuronic acid	O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CC=CC=C2O)O[C@@H]([C@H]1O)C(O)=O	InChI=1S/C13H14O9/c14-6-4-2-1-3-5(6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13-17H,(H,18,19)/t7-,8-,9+,10-,13-/m0/s1
HMDB10317	17-beta-estradiol glucuronide	C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18-,19-,20+,21-,23+,24-/m0/s1
HMDB10316	Acetaminophen glucuronide	CC(=O)NC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1	InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
HMDB07625	DG(22:1(13Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,41,44H,3-11,13,15-16,20-22,24-40H2,1-2H3/b14-12-,19-17-,23-18-/t41-/m0/s1
HMDB07624	DG(22:1(13Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17-19,23,41,44H,3-16,20-22,24-40H2,1-2H3/b19-17-,23-18-/t41-/m0/s1
HMDB07627	DG(22:1(13Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,41,44H,3-5,7,9-11,13,15-16,20-22,24-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-/t41-/m0/s1
HMDB07626	DG(22:1(13Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,28,30,41,44H,3-11,13,15-16,20-22,24-27,29,31-40H2,1-2H3/b14-12-,19-17-,23-18-,30-28-/t41-/m0/s1
HMDB07621	DG(22:1(13Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h14,16-18,39,42H,3-13,15,19-38H2,1-2H3/b16-14-,18-17-/t39-/m0/s1
HMDB07620	DG(22:1(13Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h17-18,39,42H,3-16,19-38H2,1-2H3/b18-17-/t39-/m0/s1
HMDB07623	DG(22:1(13Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,41,44H,3-13,15,18,20-40H2,1-2H3/b16-14-,19-17-/t41-/m0/s1
HMDB07622	DG(22:1(13Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-/t41-/m0/s1
HMDB54203	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,35,41,44,57H,4-8,10-11,13,15,20,22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB54202	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,36,38-39,42,44,47-48,51,61H,4-14,21-23,30-31,33,35,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-,51-48-
HMDB54201	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,36,38-39,42,44,47,61H,4-14,21-23,30-31,33,35,37,40-41,43,45-46,48-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-
HMDB54200	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,36,38,44,47,61H,4-14,21-23,30-35,37,39-43,45-46,48-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,38-36-,47-44-
HMDB07629	DG(22:1(13Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-/t43-/m0/s1
HMDB07628	DG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,28,30,41,44H,3-5,7,9-11,13,15-16,20-22,24-27,29,31-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-,30-28-/t41-/m0/s1
HMDB54205	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,34-37,43,46,59H,4-6,8-9,11-14,21-23,30-33,38-42,44-45,47-58H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-,46-43-
HMDB54204	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,35,37,40-41,44,57H,4-8,10-11,13,15,20,22,24,29-30,32,34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-,44-41-
HMDB41609	4-Methylbenzyl alcohol	CC1=CC=C(CO)C=C1	InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
HMDB41608	Methional diethyl acetal	CCOC(CCSC)OCC	InChI=1S/C8H18O2S/c1-4-9-8(10-5-2)6-7-11-3/h8H,4-7H2,1-3H3
HMDB53969	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB53968	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB41605	Propyleneglycol diacetate	CC(COC(C)=O)OC(C)=O	InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
HMDB41604	3-Mercaptopropanoic acid	OC(=O)CCS	InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
HMDB41607	2-Phenoxyethanol	OCCOC1=CC=CC=C1	InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
HMDB41606	Dimethyl adipate	COC(=O)CCCCC(=O)OC	InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
HMDB41601	3-Nonen-1-ol; (E)-form	CCCCC\C=C\CCO	InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6+
HMDB41600	3-Hydroxyoctanoic acid, 9CI; ()-form, Et ester	CCCCCC(O)CC(=O)OCC	InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3
HMDB41603	Methyl 3-hydroxybutyrate	COC(=O)CC(C)O	InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3
HMDB41602	Methyl levulinate	COC(=O)CCC(C)=O	InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
HMDB54403	TG(22:2(13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB49478	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30,32,35-36,39,41,44,56H,4-15,18,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB49479	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,33,36,42,45,57H,4-13,15,18,20,22,27,29-32,34-35,37-41,43-44,46-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,36-33-,45-42-
HMDB49476	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,38,41,47,50,62H,4-16,18-19,22-23,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,41-38-,50-47-
HMDB49477	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,32-33,36,42,45,57H,4-15,17-18,22,26-27,30-31,34-35,37-41,43-44,46-56H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-29-,36-33-,45-42-
HMDB49474	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-16,18-19,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB49475	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,36,39,45,48,60H,4-16,18-19,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-36-,48-45-
HMDB49472	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,27-28,31-32,35,41,44,56H,4-15,17-18,21-22,24,26,29-30,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,35-32-,44-41-
HMDB49473	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,37,43,46,58H,4-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-34-,46-43-
HMDB49470	TG(18:1(11Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,35,57H,4-15,17-18,20,22-23,26-27,29-31,33-34,36-56H2,1-3H3/b19-16-,24-21-,28-25-,35-32-
HMDB49471	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,32,35,41,44,56H,4-15,17-18,22,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,35-32-,44-41-
HMDB12815	5-Aminopentanal	NCCCCC=O	InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2
HMDB12819	5-Hydroxykynurenine	NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O	InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)
HMDB54402	TG(22:2(13Z,16Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36,39,45,48,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-
HMDB50438	TG(20:1(11Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28,33,35,52H,4-14,16,19,21-23,27,29-32,34,36-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-,35-33-
HMDB50439	TG(20:1(11Z)/14:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,53H,4-13,16,19-22,27-52H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB50430	TG(20:1(11Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,47-44-
HMDB50431	TG(20:1(11Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,47-44-,56-53-
HMDB50432	TG(20:1(11Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h26,29,63H,4-25,27-28,30-62H2,1-3H3/b29-26-
HMDB50433	TG(20:1(11Z)/14:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,54H,4-14,16-17,19-23,28-53H2,1-3H3/b18-15-,26-24-,27-25-
HMDB50434	TG(20:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,30,32,37,40,54H,4-14,16-17,19-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b18-15-,26-24-,27-25-,32-30-,40-37-
HMDB50435	TG(20:1(11Z)/14:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,56H,4-14,16-17,19-23,28-55H2,1-3H3/b18-15-,26-24-,27-25-
HMDB50436	TG(20:1(11Z)/14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-
HMDB50437	TG(20:1(11Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,29,53H,4-14,16-17,19,21-22,25,28,30-52H2,1-3H3/b18-15-,23-20-,26-24-,29-27-
HMDB50354	TG(20:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,37,39,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-37-
HMDB32148	2,3-Dimethylphenol	CC1=C(C)C(O)=CC=C1	InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
HMDB32149	1-Methoxy-2,4-dimethylbenzene	COC1=CC=C(C)C=C1C	InChI=1S/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3
HMDB49298	TG(18:1(11Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,31-32,34,56H,4-6,8-9,11-15,17-18,21-22,24,26,29-30,33,35-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,34-32-
HMDB49299	TG(18:1(11Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,31-32,34,40,43,56H,4-6,8-9,11-15,17-18,21-22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,34-32-,43-40-
HMDB32140	2',4'-Dimethylacetophenone	CC(=O)C1=C(C)C=C(C)C=C1	InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
HMDB32141	4-(Dimethylamino)azobenzene	CN(C)C1=CC=C(C=C1)\N=N/C1=CC=CC=C1	InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15-
HMDB32142	2,4-Dimethylbenzaldehyde	CC1=CC=C(C=O)C(C)=C1	InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
HMDB32143	Palaudine	COC1=C(O)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1	InChI=1S/C19H19NO4/c1-22-17-5-4-12(9-16(17)21)8-15-14-11-19(24-3)18(23-2)10-13(14)6-7-20-15/h4-7,9-11,21H,8H2,1-3H3
HMDB32144	24-Methyl-28-norcycloart-25-en-3-ol	CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C	InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-26,31H,1,8-18H2,2-7H3
HMDB32145	31-Norcyclolaudenone	CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C	InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-24,26H,1,8-18H2,2-7H3
HMDB32146	(3beta,5alpha)-14-Methyl-9,19-cycloergost-25-en-3-ol	CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4CC(O)CCC44CC34CCC12C	InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-25,30H,1,7-18H2,2-6H3
HMDB32147	Geranylcitronellol	CC(CCO)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C20H36O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,20-21H,6-8,10,12,14-16H2,1-5H3/b18-11+,19-13+
HMDB47528	TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,39-40,43,45,48,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-
HMDB47529	TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB47526	TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,37-38,43,46,64H,4-8,10-11,13-16,19,22-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-
HMDB47527	TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,37-38,43-44,46-47,64H,4-8,10-11,13-16,19,22-25,28,30-33,35-36,39-42,45,48-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-
HMDB47524	TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,68H,4-16,19,22-25,28,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-
HMDB47525	TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,57,68H,4-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-
HMDB47522	TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB47523	TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,37,41,47,50,68H,4-16,19,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-37-,50-47-
HMDB47520	TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,35,38,44,47,65H,4-14,16,19,21-23,25,28,30-34,36-37,39-43,45-46,48-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,38-35-,47-44-
HMDB47521	TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39-40,43,45,48,66H,4-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-
HMDB54148	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-34,36-37,42-43,45-46,58H,4-8,10-11,13-15,17,20,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB54149	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-34,36-38,41-43,45-46,58H,4-8,10-11,13-15,17,20,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB54321	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB54144	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-39,43-48,60H,4-15,18,21-24,31-33,40-42,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB03381	4-Hydroxycrotonic acid	OC\C=C\C(O)=O	InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+
HMDB47294	TG(24:0/20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,35,37,43,46,58H,4-14,16-17,19-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b18-15-,27-25-,37-35-,46-43-
HMDB47295	TG(24:0/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,36,39,45,48,60H,4-20,22-23,25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b24-21-,28-26-,39-36-,48-45-
HMDB47296	TG(24:0/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,38,41,47,50,62H,4-20,22-23,25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b24-21-,29-26-,41-38-,50-47-
HMDB47297	TG(24:0/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,38,41,47,50,62H,4-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b29-26-,36-27-,41-38-,50-47-
HMDB01713	m-Coumaric acid	OC(=O)\C=C\C1=CC=CC(O)=C1	InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
HMDB47291	TG(24:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,43,46,52,55,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,46-43-,55-52-
HMDB47292	TG(24:0/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26,29,63H,4-25,27-28,30-62H2,1-3H3/b29-26-
HMDB47293	TG(24:0/20:3(5Z,8Z,11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,44,47,53,56,68H,4-26,28-29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b30-27-,47-44-,56-53-
HMDB54140	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB47298	TG(24:0/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,40,43,49,52,64H,4-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b29-26-,30-27-,43-40-,52-49-
HMDB47299	TG(24:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,40-41,43,47,49-50,52,64H,4-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB54142	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB54143	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,59H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-
HMDB54323	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB31789	(Acetyloxy)triphenylstannane	CC(=O)O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
HMDB31788	Hexakis(2-methyl-2-phenylpropyl)distannoxane	CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C1=CC=CC=C1)O[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C1=CC=CC=C1)CC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
HMDB31783	Etrimfos	CCOC1=CC(OP(=S)(OC)OC)=NC(CC)=N1	InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3
HMDB31782	Ethiofencarb	CCSCC1=C(OC(=O)NC)C=CC=C1	InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
HMDB31781	O-Ethyl S,S-diphenyl phosphorodithioate	CCOP(=O)(SC1=CC=CC=C1)SC1=CC=CC=C1	InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
HMDB31780	Dithianon	O=C1C2=C(SC(C#N)=C(S2)C#N)C(=O)C2=C1C=CC=C2	InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
HMDB31787	Fenamiphos	CCOP(=O)(NC(C)C)OC1=CC(C)=C(SC)C=C1	InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
HMDB31786	9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium(1+)	CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C3(OC(=O)C4=C3C=CC=C4)C2C=C1.CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=C(C=CC=C2)C(O)=O)=[N+](CC)CC)=C1	InChI=1S/C28H31N2O3.C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28;1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18,23H,5-8H2,1-4H3;9-18H,5-8H2,1-4H3/q+1;/p+1
HMDB31785	Robenidine	ClC1=CC=C(\C=N\NC(=N)N\N=C/C2=CC=C(Cl)C=C2)C=C1	InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9-,20-10+
HMDB31784	Halofuginone	OC1CCCNC1CC(=O)CN1C=NC2=CC(Br)=C(Cl)C=C2C1=O	InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2
HMDB35499	Isoxanthohumol B	COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C2C(O)CC(C)(C)OC2=C1	InChI=1S/C21H22O6/c1-21(2)11-15(24)19-17(27-21)10-16(26-3)18(20(19)25)14(23)9-6-12-4-7-13(22)8-5-12/h4-10,15,22,24-25H,11H2,1-3H3/b9-6+
HMDB35498	Fevicordin F; 23,24-Dihydro, 22-ketone, 25-Ac, 2-O-[a-L-rhamnopyranoyl-(1-&gt;4)-b-D-glucopyransoyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OC2C(CO)OC(OCC3OC(OC4=CC5=C(CCC6C7(C)CC(O)C(C(C)(O)C(=O)CCC(C)(C)OC(C)=O)C7(C)CC(=O)C56C)C(C)=C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C49H74O22/c1-19-22-10-11-28-46(6)15-24(52)41(49(9,64)29(53)12-13-45(4,5)71-21(3)51)47(46,7)16-30(54)48(28,8)23(22)14-25(31(19)55)67-44-38(62)35(59)33(57)27(69-44)18-65-42-39(63)36(60)40(26(17-50)68-42)70-43-37(61)34(58)32(56)20(2)66-43/h14,20,24,26-28,32-44,50,52,55-64H,10-13,15-18H2,1-9H3
HMDB35493	Dammar-24-ene-3,12,20-triol; (3b,12b,20S)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside], 20-O-b-D-glucopyranoside	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)36(56)33(53)26(20-50)63-43)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)37(57)34(54)27(64-42)21-61-41-38(58)35(55)32(52)25(19-49)62-41/h10,23-43,49-60H,9,11-21H2,1-8H3
HMDB35492	3,16-Dihydroxy-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-a-L-arabinopyranoside], 28-O-[a-L-rhamnopyranosyl-(1-&gt;4)-b-D-glucopyranosyl-(1-&gt;4)-b-D-glucopyranosyl] ester	CC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5O)OC3CO)OC2CO)C(O)C(O)C1O	InChI=1S/C59H96O27/c1-23-34(65)37(68)41(72)48(78-23)83-45-28(20-61)80-50(43(74)39(45)70)84-46-29(21-62)81-51(44(75)40(46)71)86-53(76)59-16-15-54(2,3)17-25(59)24-9-10-31-56(6)13-12-33(55(4,5)30(56)11-14-57(31,7)58(24,8)18-32(59)64)82-52-47(35(66)26(63)22-77-52)85-49-42(73)38(69)36(67)27(19-60)79-49/h9,23,25-52,60-75H,10-22H2,1-8H3
HMDB35491	beta-Chacotriosyllilagen	CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3
HMDB35490	Spirostane-3,6-diol, 9CI; (3b,5b,6a,25S)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H64O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-33(46)31(44)34(27(15-40)50-36)51-35-32(45)30(43)29(42)19(3)48-35/h17-36,40-46H,6-16H2,1-5H3
HMDB35497	Araloside S1	CCCCCCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C1O	InChI=1S/C61H100O23/c1-9-10-11-12-13-14-25-76-50(74)48-45(72)47(81-54-49(42(69)40(67)34(28-63)79-54)83-51-43(70)38(65)32(64)29-77-51)46(73)53(82-48)80-37-18-19-58(6)35(57(37,4)5)17-20-60(8)36(58)16-15-30-31-26-56(2,3)21-23-61(31,24-22-59(30,60)7)55(75)84-52-44(71)41(68)39(66)33(27-62)78-52/h15,31-49,51-54,62-73H,9-14,16-29H2,1-8H3
HMDB35496	Vitisifuran B	OC1=CC=C(C=C1)C1OC2=C(C1C1=CC(O)=CC(O)=C1)C(\C=C\C1=CC3=C(OC(=C3C3=C4C(C(OC4=CC(O)=C3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=CC=C(O)C=C3)C=C1)=CC(O)=C2	InChI=1S/C56H40O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-51,54-55,57-65H/b3-1+
HMDB35495	Triptohypol F	COC1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12	InChI=1S/C31H52O2/c1-26(2)14-15-28(5)16-17-30(7)20(21(28)19-26)18-22(33-9)25-29(6)12-11-24(32)27(3,4)23(29)10-13-31(25,30)8/h18,21-25,32H,10-17,19H2,1-9H3
HMDB35494	Dammar-24-ene-3,12,20-triol; (3b,12b,20S)-form, 3-O-b-D-Glucopyranoside, 20-O-[a-L-arabinopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(36(56)34(54)27(20-49)61-42)63-40-37(57)32(52)25(51)21-59-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-41-38(58)35(55)33(53)26(19-48)60-41/h10,23-42,48-58H,9,11-21H2,1-8H3
HMDB54325	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-6,8,11,13-15,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB53528	TG(20:2n6/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33,35,41,44,63H,4-14,21-23,30-32,34,36-40,42-43,45-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,44-41-
HMDB56549	CL(16:0/16:1(9Z)/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27-28,31-34,69-71,76H,5-26,29-30,35-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,32-28-,34-33-/t69?,70-,71-/m1/s1
HMDB54326	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-6,9,12-15,22-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-
HMDB38173	Halocins	OC(C#CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C21H23NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-9,16-18H2
HMDB38172	8,13-Abietadien-18-oic acid	CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C1CC2)C(O)=O	InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)
HMDB38171	Absintholide	CC1C2CCC(C)(O)C3=C(C2OC1=O)C1(C)C(C3O)C2(C)C(=O)C1C1=C2C2OC(=O)C(C)C2CCC1(C)O	InChI=1S/C30H38O8/c1-11-13-7-9-27(3,35)15-17(21(13)37-25(11)33)30(6)23-20(31)16-18(29(23,5)19(15)24(30)32)22-14(8-10-28(16,4)36)12(2)26(34)38-22/h11-14,19-23,31,35-36H,7-10H2,1-6H3
HMDB38170	Isolimonic acid	CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC(C)(C(O)C2=COC=C2)C11OC1C(O)=O	InChI=1S/C26H34O10/c1-22(2)15-9-16(27)24(4)14(25(15,12-35-22)17(28)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,28,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)
HMDB38177	3-Hydroxycycloart-24-en-21-oic acid	CC(C)=CCCC(C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C)C(O)=O	InChI=1S/C30H48O3/c1-19(2)8-7-9-20(25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33)
HMDB38176	alpha-Methyl-2-furanacrolein	C\C(C=O)=C/C1=CC=CO1	InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+
HMDB38175	2-Acetyloxazole	CC(=O)C1=NC=CO1	InChI=1S/C5H5NO2/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
HMDB38174	5-Acetyl-2,4-dimethyloxazole	CC(=O)C1=C(C)N=C(C)O1	InChI=1S/C7H9NO2/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
HMDB38179	3-(2-Hydroxy-4-methylphenyl)-2-butanone	CC(C(C)=O)C1=CC=C(C)C=C1O	InChI=1S/C11H14O2/c1-7-4-5-10(11(13)6-7)8(2)9(3)12/h4-6,8,13H,1-3H3
HMDB38178	Davanone	CC(C1CCC(C)(O1)C=C)C(=O)CC=C(C)C	InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3
HMDB53522	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,37,39-40,42,46,48-49,51,61H,4-6,8-9,11-14,21-23,30-31,33,35-36,38,41,43-45,47,50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-,51-48-
HMDB30784	Normammein	CCCC(=O)C1=C2OC(=O)C=C(CCC)C2=C(O)C(CC=C(C)C)=C1O	InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-17(13)19(24)14(10-9-12(3)4)20(25)18(21)15(22)8-6-2/h9,11,24-25H,5-8,10H2,1-4H3
HMDB30785	Mammeigin	CC(C)CC(=O)C1=C(O)C2=C(OC(=O)C=C2C2=CC=CC=C2)C2=C1OC(C)(C)C=C2	InChI=1S/C25H24O5/c1-14(2)12-18(26)21-22(28)20-17(15-8-6-5-7-9-15)13-19(27)29-23(20)16-10-11-25(3,4)30-24(16)21/h5-11,13-14,28H,12H2,1-4H3
HMDB30786	Marmesin	CC(C)(O)C1CC2=CC3=C(OC(=O)C=C3)C=C2O1	InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3
HMDB30787	(R)-Marmin	C\C(CCC(O)C(C)(C)O)=C/COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C19H24O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,17,20,22H,4,8,11H2,1-3H3/b13-10+
HMDB30780	Mammea A/BB	CCC(C)C(=O)C1=C2OC(=O)C=C(C3=CC=CC=C3)C2=C(O)C(CC=C(C)C)=C1O	InChI=1S/C25H26O5/c1-5-15(4)22(27)21-24(29)17(12-11-14(2)3)23(28)20-18(13-19(26)30-25(20)21)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3
HMDB30781	Isomammein	CCCC1=CC(=O)OC2=C(CC=C(C)C)C(O)=C(C(=O)CC(C)C)C(O)=C12	InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
HMDB30782	Mammea B/AB	CCCC1=CC(=O)OC2=C1C(O)=C(C(=O)C(C)CC)C(O)=C2CC=C(C)C	InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3
HMDB30783	Mammea B/BA	CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C(CC=C(C)C)C(O)=C12	InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
HMDB30788	Citrusal	COC1=C(CC(C)(C)C=O)C2=C(C=CC(=O)O2)C=C1	InChI=1S/C15H16O4/c1-15(2,9-16)8-11-12(18-3)6-4-10-5-7-13(17)19-14(10)11/h4-7,9H,8H2,1-3H3
HMDB30789	Dracunculin	COC1=CC2=C(OC(=O)C=C2)C2=C1OCO2	InChI=1S/C11H8O5/c1-13-7-4-6-2-3-8(12)16-9(6)11-10(7)14-5-15-11/h2-4H,5H2,1H3
HMDB55203	TG(18:3(9Z,12Z,15Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,51H,4-7,9-10,12-14,16,19,21-24,26,28-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-
HMDB58498	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-35,37,39-42,46,50,58,62,79-81,86H,5-20,22-24,26-27,29-31,36,38,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,41-34-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58499	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-37,39-43,46,50,58,62,79-81,86H,5-20,22-24,26-32,38,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB43550	TG(15:0/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,57H,4-15,17-18,20-24,29-56H2,1-3H3/b19-16-,27-25-,28-26-
HMDB55209	TG(18:3(9Z,12Z,15Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,37,43,46,56H,4-6,9,12-15,18,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-
HMDB41698	6-Hydroxydihydrodaidzein	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1([H])C(=O)C2=C([H])C(O[H])=C(O[H])C([H])=C2OC1([H])[H]	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-6,11,16-18H,7H2
HMDB50646	TG(20:1(11Z)/20:3n6/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,33,35,38,59H,4-16,18-19,22-23,27,31-32,34,36-37,39-58H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,33-30-,38-35-
HMDB50645	TG(20:1(11Z)/20:3n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,64H,4-17,19-20,22-24,31-39,41-42,44-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-
HMDB44174	TG(16:0/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,32,35,41,44,56H,4-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b27-25-,28-26-,35-32-,44-41-
HMDB44175	TG(16:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-32,34-35,40-41,43-44,56H,4-24,29-30,33,36-39,42,45-55H2,1-3H3/b27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB44176	TG(16:0/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,34,37,43,46,58H,4-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b27-25-,28-26-,37-34-,46-43-
HMDB44177	TG(16:0/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,36,39,45,48,60H,4-24,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b27-25-,28-26-,39-36-,48-45-
HMDB44170	TG(16:0/20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,27,29,35,38,50H,4-14,16-17,19-23,26,28,30-34,36-37,39-49H2,1-3H3/b18-15-,25-24-,29-27-,38-35-
HMDB44171	TG(16:0/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20,23,25-26,28,31,37,40,52H,4-19,21-22,24,27,29-30,32-36,38-39,41-51H2,1-3H3/b23-20-,26-25-,31-28-,40-37-
HMDB44172	TG(16:0/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,33,39,42,54H,4-19,21-22,24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b23-20-,27-25-,33-30-,42-39-
HMDB44173	TG(16:0/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,33,39,42,54H,4-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b27-25-,29-26-,33-30-,42-39-
HMDB50643	TG(20:1(11Z)/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,34,36-37,39,43,46,60H,4-17,19-20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-
HMDB44178	TG(16:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30-31,34,40,43,55H,4-19,21-22,24,26,29,32-33,35-39,41-42,44-54H2,1-3H3/b23-20-,27-25-,30-28-,34-31-,43-40-
HMDB44179	TG(16:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,33,35,38-39,42,54H,4-16,18-19,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b20-17-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB50642	TG(20:1(11Z)/20:3n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,39,60H,4-17,19-20,22-24,31-35,37-38,40-59H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-
HMDB50641	TG(20:1(11Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,58H,4-13,15-16,18-22,24,27,29-57H2,1-3H3/b17-14-,26-23-,28-25-
HMDB50640	TG(20:1(11Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,39,42,48,51,61H,4-6,8-9,11-14,17,20-23,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB08389	PC(20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,30,32,36,38,50H,6-19,24-29,31,33-35,37,39-49H2,1-5H3/b22-20-,23-21-,32-30-,38-36-/t50-/m1/s1
HMDB08388	PC(20:3(5Z,8Z,11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,30,32,36,38,50H,6-20,22,24-29,31,33-35,37,39-49H2,1-5H3/b23-21-,32-30-,38-36-/t50-/m1/s1
HMDB08383	PC(20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,28,30,34,36,48H,6-13,15,17-19,24-27,29,31-33,35,37-47H2,1-5H3/b16-14-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08382	PC(20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,28,30,34,36,48H,6-19,24-27,29,31-33,35,37-47H2,1-5H3/b22-20-,23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08381	PC(20:3(5Z,8Z,11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,28,30,34,36,48H,6-20,22,24-27,29,31-33,35,37-47H2,1-5H3/b23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08380	PC(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,26-29,32-35,46H,6-8,10,12-14,16,18-19,24-25,30-31,36-45H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08387	PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,15,17-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
HMDB08386	PC(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27-28,30-31,33-34,36,48H,6-7,9,11-13,15,17-19,24,26,29,32,35,37-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1
HMDB08385	PC(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-13,15,17-19,24,26,29,32,35,38,40-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
HMDB08384	PC(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27-28,30-31,33-34,36,48H,6-13,15,17-19,24,26,29,32,35,37-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1
HMDB57843	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB32926	Polycartine B	C1CCC2=NC3=C(CCCC3)N=C2C1	InChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H2
HMDB32927	Quindoxin	O=N1=CC=N(=O)C2=C1C=CC=C2	InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
HMDB32924	3-Furanmethanol, 9CI; O-b-D-Glucopyranoside	OCC1OC(OCC2=COC=C2)C(O)C(O)C1O	InChI=1S/C11H16O7/c12-3-7-8(13)9(14)10(15)11(18-7)17-5-6-1-2-16-4-6/h1-2,4,7-15H,3,5H2
HMDB32925	1-Phenyl-1,3-eicosanedione	CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3
HMDB32922	Kahweofuran	CC1=C2SCCC2=CO1	InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3
HMDB32923	Kojic acid	OCC1=CC(=O)C(O)=CO1	InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
HMDB32920	alpha-Furyl methyl diketone	CC(=O)C(=O)C1=CC=CO1	InChI=1S/C7H6O3/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3
HMDB32921	2-Furanpropanoic acid, 9CI; Et ester	CCOC(=O)CCC1=CC=CO1	InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
HMDB32928	2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline	CN1C(N)=NC2=C1C(C)=CC1=C2N=C(C)C=N1	InChI=1S/C12H13N5/c1-6-4-8-9(15-7(2)5-14-8)10-11(6)17(3)12(13)16-10/h4-5H,1-3H3,(H2,13,16)
HMDB32929	Benzofuran	O1C=CC2=C1C=CC=C2	InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
HMDB09160	PE(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,39H,3-4,6,8-10,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1
HMDB09161	PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39H,3-4,9-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-/m1/s1
HMDB09162	PE(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,24,26,39H,3-4,9-10,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1
HMDB09163	PE(18:3(9Z,12Z,15Z)/20:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,41H,3-5,7,9-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-/t41-/m1/s1
HMDB09164	PE(18:3(9Z,12Z,15Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,41H,3-5,7,9-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-/t41-/m1/s1
HMDB09165	PE(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,41H,3-5,7,9-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-/t41-/m1/s1
HMDB09166	PE(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,41H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB09167	PE(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,41H,3-5,7,9-10,15-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-/m1/s1
HMDB09168	PE(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,41H,3-5,7,9-10,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB09169	PE(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,41H,3-4,9-10,15-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-/m1/s1
HMDB37253	5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone	COC1=CC(O)=C2C(=O)C(CC3=CC=C(O)C=C3)COC2=C1OC	InChI=1S/C18H18O6/c1-22-14-8-13(20)15-16(21)11(9-24-18(15)17(14)23-2)7-10-3-5-12(19)6-4-10/h3-6,8,11,19-20H,7,9H2,1-2H3
HMDB37252	5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 7-Me ether, 8-Ac	COC1=CC(O)=C2C(=O)C(CC3=CC=C(O)C=C3)COC2=C1OC(C)=O	InChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3
HMDB37251	5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone	COC1=CC(O)=C2C(=O)C(CC3=CC=C(O)C=C3)COC2=C1O	InChI=1S/C17H16O6/c1-22-13-7-12(19)14-15(20)10(8-23-17(14)16(13)21)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3
HMDB37250	Muscomin	COC1=C(OC)C(O)=C2C(=O)C(CC3=CC=C(O)C=C3)COC2=C1O	InChI=1S/C18H18O7/c1-23-17-14(21)12-13(20)10(7-9-3-5-11(19)6-4-9)8-25-16(12)15(22)18(17)24-2/h3-6,10,19,21-22H,7-8H2,1-2H3
HMDB37256	Chlorophyll d	CCC1=C(C)C2=[N]3C1=CC1=C(C)C4=C5N1[Mg]31N3C(=CC6=[N]1C(C(CCC(=O)OC\C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C6C)=C5C(C(=O)OC)C4=O)C(C)=C(C=O)C3=C2	InChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H-,55,56,57,58,59,61);/q-1;+2/p-1/b33-24-;
HMDB37255	5-Hydroxy-7-methoxy-6-methylflavone	COC1=C(C)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1	InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3
HMDB37254	(2R,3R)-3,4',7-Trihydroxyflavanone	OC1C(OC2=CC(O)=CC=C2C1=O)C1=CC=C(O)C=C1	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H
HMDB37259	3,16,23-Trihydroxy-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;3)-b-D-glucopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;2)]-b-D-glucopyranoside], 28-O-b-D-glucopyranosyl ester	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C60H98O30/c1-55(2)13-14-60(54(80)90-51-44(78)41(75)36(70)27(19-63)83-51)24(15-55)23-7-8-31-56(3)11-10-33(57(4,22-66)30(56)9-12-58(31,5)59(23,6)16-32(60)67)86-53-48(89-50-43(77)40(74)35(69)26(18-62)82-50)47(38(72)29(21-65)85-53)88-52-45(79)46(37(71)28(20-64)84-52)87-49-42(76)39(73)34(68)25(17-61)81-49/h7,24-53,61-79H,8-22H2,1-6H3
HMDB37258	Araliasaponin VI	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H88O24/c1-49(2)14-15-54(48(70)78-46-41(69)38(66)34(62)26(20-57)73-46)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-47-43(77-45-40(68)37(65)33(61)25(19-56)72-45)42(35(63)27(21-58)74-47)76-44-39(67)36(64)32(60)24(18-55)71-44/h8,23-47,55-69H,9-21H2,1-7H3
HMDB50168	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,21-22,25-27,29-30,55H,4-8,10-11,14-15,17,19-20,23-24,28,31-54H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,29-26-,30-27-
HMDB14764	Bacitracin	CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC	InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1
HMDB14766	Clorazepate	OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2	InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)
HMDB14767	Guanabenz	NC(N)=NN=CC1=C(Cl)C=CC=C1Cl	InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
HMDB14760	Nicardipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1	InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
HMDB14761	Fluphenazine	OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1	InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
HMDB06707	Coenzyme Q9	COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O	InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+
HMDB14769	Clofarabine	[H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12	InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
HMDB38991	2,3-Dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid, 9CI; Me ester	COC(=O)CC1(O)C(=O)NC2=CC=CC=C12	InChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)
HMDB38990	5-Hydroxy-2-oxo-1H-indole-3-acetic acid, 9CI; Me ester	COC(=O)CC1C(=O)NC2=CC=C(O)C=C12	InChI=1S/C11H11NO4/c1-16-10(14)5-8-7-4-6(13)2-3-9(7)12-11(8)15/h2-4,8,13H,5H2,1H3,(H,12,15)
HMDB38992	Cistocardin	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3
HMDB38995	(S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid	CC(O)C#CC#CC#CC#CCCCCCCCC(O)=O	InChI=1S/C18H20O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)
HMDB38994	Ginsenoyne C	OC(CCCCCC=C)C(O)CC#CC#CC(O)C=C	InChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2
HMDB38997	Lentialexin	OCCC#CC#CC=C	InChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2
HMDB38996	(Z)-6-Tetradecene-1,3-diyne-5,8-diol	CCCCCCC(O)\C=C/C(O)C#CC#C	InChI=1S/C14H20O2/c1-3-5-7-8-10-14(16)12-11-13(15)9-6-4-2/h2,11-16H,3,5,7-8,10H2,1H3/b12-11-
HMDB38999	6-Gingesulfonic acid	CCCCCC(CC(=O)CCC1=CC(OC)=C(O)C=C1)S(O)(=O)=O	InChI=1S/C17H26O6S/c1-3-4-5-6-15(24(20,21)22)12-14(18)9-7-13-8-10-16(19)17(11-13)23-2/h8,10-11,15,19H,3-7,9,12H2,1-2H3,(H,20,21,22)
HMDB38998	3,5,7-Octatriyn-1-ol	OCCC#CC#CC#C	InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,9H,7-8H2
HMDB36122	[6]-Gingerdiol 4'-O-beta-D-glucopyranoside	CCCCCC(O)CC(O)CCC1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C23H38O9/c1-3-4-5-6-15(25)12-16(26)9-7-14-8-10-17(18(11-14)30-2)31-23-22(29)21(28)20(27)19(13-24)32-23/h8,10-11,15-16,19-29H,3-7,9,12-13H2,1-2H3
HMDB36123	[6]-Gingerdiol 5-O-beta-D-glucopyranoside	CCCCCC(CC(O)CCC1=CC(OC)=C(O)C=C1)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C23H38O9/c1-3-4-5-6-16(31-23-22(29)21(28)20(27)19(13-24)32-23)12-15(25)9-7-14-8-10-17(26)18(11-14)30-2/h8,10-11,15-16,19-29H,3-7,9,12-13H2,1-2H3
HMDB36120	Alliumoside A	[H]OC1=C([H])C(O[H])=C2C(=O)C(O[H])=C(OC2=C1[H])C1=C([H])C([H])=C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C(OC([H])([H])[H])=C1[H]	InChI=1S/C22H22O12/c1-31-12-4-8(21-19(29)17(27)15-10(25)5-9(24)6-13(15)32-21)2-3-11(12)33-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3
HMDB36121	Demethyloleuropein	C\C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C1CC(=O)OCCC1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+
HMDB36126	(-)-Pinocampheol	C[C@@H]1[C@@H]2C[C@H](C[C@H]1O)C2(C)C	InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
HMDB36127	(-)-Pinocamphone	C[C@@H]1[C@@H]2C[C@H](CC1=O)C2(C)C	InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
HMDB36124	Ferrlecit	[Na+].[Fe+3].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O	InChI=1S/4C6H12O7.Fe.Na/c4*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h4*2-5,7-11H,1H2,(H,12,13);;/q;;;;+3;+1/p-4
HMDB36125	(1beta,8beta)-1,8-Dihydroxy-3,7(11)-eudesmadien-12,8-olide	CC1=C2CC3C(C)=CCC(O)C3(C)CC2(O)OC1=O	InChI=1S/C15H20O4/c1-8-4-5-12(16)14(3)7-15(18)11(6-10(8)14)9(2)13(17)19-15/h4,10,12,16,18H,5-7H2,1-3H3
HMDB36128	(-)-trans-Pinocarveol	CC1(C)[C@H]2C[C@@H]1C(=C)[C@H](O)C2	InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1
HMDB36129	Verbenol	CC1=CC(O)C2CC1C2(C)C	InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3
HMDB42228	TG(14:0/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,55H,4-13,15-16,18-22,24,26-54H2,1-3H3/b17-14-,25-23-
HMDB42229	TG(14:0/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,56H,4-16,18-19,21-24,26,28-31,33,35-55H2,1-3H3/b20-17-,27-25-,34-32-
HMDB13233	Gamma-delta-Dioxovaleric acid	OC(=O)CCC(=O)C=O	InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)
HMDB13232	Etiocholanolone sulfate	[H][C@]12CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O	InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14?,15?,16?,18+,19+/m1/s1
HMDB13231	Ethylamine	CCN	InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
HMDB13230	Epitestosterone sulfate	[H][C@@]12CCC3=CC(=O)CC[C@]3(C)C1CC[C@]1(C)[C@H](CCC21)OS(O)(=O)=O	InChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15?,16?,17-,18-,19-/m0/s1
HMDB13239	Heptanoylcholine	CCCCCCC(=O)OCC[N+](C)(C)C	InChI=1S/C12H26NO2/c1-5-6-7-8-9-12(14)15-11-10-13(2,3)4/h5-11H2,1-4H3/q+1
HMDB13238	Heptanoylcarnitine	CCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C14H27NO4/c1-5-6-7-8-9-14(18)19-12(10-13(16)17)11-15(2,3)4/h12H,5-11H2,1-4H3
HMDB43179	TG(15:0/14:1(9Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,48H,4-12,14,17,19-21,23,25-47H2,1-3H3/b16-13-,18-15-,24-22-
HMDB43178	TG(15:0/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,29,31,47H,4-14,17,20-23,26-28,30,32-46H2,1-3H3/b18-15-,19-16-,25-24-,31-29-
HMDB43171	TG(15:0/14:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h15,18-19,22,47H,4-14,16-17,20-21,23-46H2,1-3H3/b18-15-,22-19-
HMDB43170	TG(15:0/14:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C48H88O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-30-25-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h15,18-19,22,45H,4-14,16-17,20-21,23-44H2,1-3H3/b18-15-,22-19-
HMDB43173	TG(15:0/14:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15,18,24-25,49H,4-14,16-17,19-23,26-48H2,1-3H3/b18-15-,25-24-
HMDB43172	TG(15:0/14:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h15,18,24-25,47H,4-14,16-17,19-23,26-46H2,1-3H3/b18-15-,25-24-
HMDB43175	TG(15:0/14:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15,18,24-25,51H,4-14,16-17,19-23,26-50H2,1-3H3/b18-15-,25-24-
HMDB43174	TG(15:0/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,33,36,49H,4-14,16-17,19-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,25-24-,28-27-,36-33-
HMDB43177	TG(15:0/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-23-20-17-14-11-8-5-2/h15,18-19,22,25-26,48H,4-14,16-17,20-21,23-24,27-47H2,1-3H3/b18-15-,22-19-,26-25-
HMDB43176	TG(15:0/14:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-
HMDB47889	TG(14:1(9Z)/14:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-15,17-18,23-24,48H,4-13,16,19-22,25-47H2,1-3H3/b17-14-,18-15-,24-23-
HMDB47888	TG(14:1(9Z)/14:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14-15,17-18,23-24,46H,4-13,16,19-22,25-45H2,1-3H3/b17-14-,18-15-,24-23-
HMDB47881	TG(14:1(9Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,42,45,58H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-,45-42-
HMDB47880	TG(14:1(9Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,58H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-
HMDB47883	TG(14:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,47,50,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-,50-47-
HMDB47882	TG(14:1(9Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-
HMDB47885	TG(14:1(9Z)/14:1(9Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C45H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13-18,42H,4-12,19-41H2,1-3H3/b16-13-,17-14-,18-15-
HMDB47884	TG(14:1(9Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,57H,4-14,16-17,19-56H2,1-3H3/b18-15-
HMDB47887	TG(14:1(9Z)/14:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14-15,17-19,22,46H,4-13,16,20-21,23-45H2,1-3H3/b17-14-,18-15-,22-19-
HMDB47886	TG(14:1(9Z)/14:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C47H84O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-19,22,44H,4-13,16,20-21,23-43H2,1-3H3/b17-14-,18-15-,22-19-
HMDB39349	2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3-hydroxy-4,5-dimethoxyphenyl)-1-propanol	COC1=CC(=CC(OC)=C1O)C(O)C(C)OC1=C(OC)C=C(CC=C)C=C1OC	InChI=1S/C22H28O7/c1-7-8-14-9-18(27-5)22(19(10-14)28-6)29-13(2)20(23)15-11-16(25-3)21(24)17(12-15)26-4/h7,9-13,20,23-24H,1,8H2,2-6H3
HMDB39348	Myricanol; 11-Deoxy, 11E,12-didehydro, 5-O-[a-L-arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(C\C=C\CCCC2)=C1	InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h4,6,10-13,21-27,31-39H,3,5,7-9,14-15H2,1-2H3/b6-4+
HMDB39343	1,3,4,5-Tetra-O-galloylquinic acid	OC(=O)C1(CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)
HMDB39342	Capsianoside G	CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O	InChI=1S/C70H114O28/c1-13-69(11,97-66-58(84)53(79)50(76)45(32-71)92-66)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)61(49(75)43(10)90-64)96-65-57(83)55(81)52(78)47(94-65)35-89-68-62(56(82)48(74)42(9)91-68)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-67-59(85)54(80)51(77)46(33-72)93-67/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+
HMDB39341	Resveratrol 4'-(2-galloylglucoside)	OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-5-3-13(4-6-18)1-2-14-7-16(29)11-17(30)8-14/h1-11,21,23-25,27-35H,12H2/b2-1-
HMDB39340	Ichangin; 4-O-b-D-Glucopyranoside	CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(OC(=O)C4OC234)C2=COC=C2)C11COC(=O)CC1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3
HMDB39347	2',4',7-Trihydroxyisoflavone; 4',7-Di-O-b-D-glucopyranoside	OCC1OC(OC2=CC(O)=C(C=C2)C2=COC3=C(C=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C2=O)C(O)C(O)C1O	InChI=1S/C27H30O15/c28-7-17-20(32)22(34)24(36)26(41-17)39-10-1-3-12(15(30)5-10)14-9-38-16-6-11(2-4-13(16)19(14)31)40-27-25(37)23(35)21(33)18(8-29)42-27/h1-6,9,17-18,20-30,32-37H,7-8H2
HMDB39346	4-O-Digalloyl-3,5-di-O-galloylquinic acid	OC(=O)C1(O)C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C2)[C@@H](C1)OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(55-31(48)12-3-17(38)26(45)18(39)4-12)29(23)57-33(50)14-7-21(42)28(22(43)8-14)56-32(49)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29?,35?/m1/s1
HMDB39345	5-O-Digalloyl-3,4-di-O-galloylquinic acid	OC(=O)[C@@]1(O)C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C1)OC(=O)C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1	InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29+,35-/m1/s1
HMDB39344	3-Digalloyl-4,5-di-O-galloylquinic acid	OC(=O)[C@]1(O)C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C1)OC(=O)C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1	InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29-,35+/m1/s1
HMDB59032	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB57415	CL(16:1(9Z)/16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C77H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-27,30-31,33-34,36,40,48,52,71-73,78H,5-20,22-24,28-29,32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,31-27-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1
HMDB28925	Leucyl-Aspartate	CC(C)CC(NC(=O)C(N)CC(O)=O)C(O)=O	InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-9(15)6(11)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
HMDB28924	Leucyl-Asparagine	CC(C)CC(NC(=O)C(N)CC(N)=O)C(O)=O	InChI=1S/C10H19N3O4/c1-5(2)3-7(10(16)17)13-9(15)6(11)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB28927	Leucyl-Glutamine	CC(C)CC(NC(=O)C(N)CCC(N)=O)C(O)=O	InChI=1S/C11H21N3O4/c1-6(2)5-8(11(17)18)14-10(16)7(12)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)
HMDB28926	Leucyl-Cysteine	CC(C)CC(NC(=O)C(N)CS)C(O)=O	InChI=1S/C9H18N2O3S/c1-5(2)3-7(9(13)14)11-8(12)6(10)4-15/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)
HMDB28921	Isoleucyl-Gamma-glutamate	CCC(C)C(NC(=O)C(N)CCC(O)=N)C(O)=O	InChI=1S/C11H21N3O4/c1-3-6(2)9(11(17)18)14-10(16)7(12)4-5-8(13)15/h6-7,9H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)
HMDB28920	Isoleucyl-Valine	CCC(C)C(NC(=O)C(N)C(C)C)C(O)=O	InChI=1S/C11H22N2O3/c1-5-7(4)9(11(15)16)13-10(14)8(12)6(2)3/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
HMDB28923	Leucyl-Arginine	CC(C)CC(NC(=O)C(N)CCCNC(N)=N)C(O)=O	InChI=1S/C12H25N5O3/c1-7(2)6-9(11(19)20)17-10(18)8(13)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)
HMDB28922	Leucyl-Alanine	CC(C)CC(NC(=O)C(C)N)C(O)=O	InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
HMDB59260	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-10,12-14,16-20,24,29-31,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB28929	Leucyl-Glycine	CC(C)CC(NC(=O)CN)C(O)=O	InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
HMDB28928	Leucyl-Glutamate	CC(C)CC(NC(=O)C(N)CCC([O-])=O)C(O)=O	InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-10(16)7(12)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1
HMDB34508	6beta-Hydroxy-3-oxo-12-oleanen-28-oic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5C(O)CC34C)C2C1)C(O)=O	InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-21,23,31H,9-17H2,1-7H3,(H,33,34)
HMDB34509	Erythrodiol 3-palmitate	CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC32C)C1(C)C	InChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)49-39-26-27-43(6)37(42(39,4)5)25-28-45(8)38(43)24-23-35-36-33-41(2,3)29-31-46(36,34-47)32-30-44(35,45)7/h23,36-39,47H,9-22,24-34H2,1-8H3
HMDB34502	Arjunolic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)
HMDB34503	2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid; (2a,3b,19a)-form, 2,3,23-Tri-Ac	CC(=O)OCC1(C)C(OC(C)=O)C(CC2(C)C1CCC1(C)C2CC=C2C3C(O)C(C)(C)CCC3(CCC12C)C(O)=O)OC(C)=O	InChI=1S/C36H54O9/c1-20(37)43-19-33(7)25-12-13-35(9)26(32(25,6)18-24(44-21(2)38)29(33)45-22(3)39)11-10-23-27-28(40)31(4,5)14-16-36(27,30(41)42)17-15-34(23,35)8/h10,24-29,40H,11-19H2,1-9H3,(H,41,42)
HMDB34500	Protobassic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1)C(O)=O	InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)
HMDB34501	Tomentosic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1O)C(O)=O	InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)
HMDB34506	Soyasapogenol C	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C=C1	InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3
HMDB34507	Soyasapogenol D	COC1CC(C)(C)CC2=C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C	InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3
HMDB34504	Sericoside	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3
HMDB34505	Soyasapogenol A	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O	InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3
HMDB38438	8-(Methylthio)octanenitrile	CSCCCCCCCC#N	InChI=1S/C9H17NS/c1-11-9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
HMDB38439	(-)-5-(2-Propenyl)-2-oxazolidinethione	C=CCC1CNC(=S)O1	InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)
HMDB38432	1-Isothiocyanatohexane	CCCCCCN=C=S	InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
HMDB38433	1-Isothiocyanatopentane	CCCCCN=C=S	InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
HMDB38430	5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene	CC#CC1=CC=C(S1)C1=CC=C(S1)C=C	InChI=1S/C13H10S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h4,6-9H,2H2,1H3
HMDB38431	Licoricesaponin D3	CC1OC(OC2C(O)C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(CC(OC(C)=O)C6(C)CCC54C)C(O)=O)C3(C)C)C(O)=O)OC(C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C50H76O21/c1-20-28(52)29(53)32(56)41(65-20)68-35-33(57)37(40(61)62)69-42(34(35)58)71-38-31(55)30(54)36(39(59)60)70-43(38)67-26-13-14-48(7)24(45(26,3)4)12-15-50(9)25(48)11-10-22-23-18-46(5,44(63)64)19-27(66-21(2)51)47(23,6)16-17-49(22,50)8/h10,20,23-38,41-43,52-58H,11-19H2,1-9H3,(H,59,60)(H,61,62)(H,63,64)
HMDB38436	6-Isothiocyanato-1-hexene	C=CCCCCN=C=S	InChI=1S/C7H11NS/c1-2-3-4-5-6-8-7-9/h2H,1,3-6H2
HMDB38437	9-(Methylthio)nonanenitrile	CSCCCCCCCCC#N	InChI=1S/C10H19NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3
HMDB38434	7-Isothiocyanato-1-heptene	C=CCCCCCN=C=S	InChI=1S/C8H13NS/c1-2-3-4-5-6-7-9-8-10/h2H,1,3-7H2
HMDB38435	1-Isothiocyanato-4-methylpentane	CC(C)CCCN=C=S	InChI=1S/C7H13NS/c1-7(2)4-3-5-8-6-9/h7H,3-5H2,1-2H3
HMDB43492	TG(15:0/20:3n6/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,55H,4-16,18-19,21-24,29-31,33,35-54H2,1-3H3/b20-17-,27-25-,28-26-,34-32-
HMDB43493	TG(15:0/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31-34,39,42,55H,4-16,18-19,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b20-17-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB52128	TG(24:1(15Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,65H,4-14,16-17,19-23,30-64H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB43490	TG(15:0/20:3n6/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,53H,4-15,17-18,21-22,24,26,28-29,31,33-52H2,1-3H3/b19-16-,23-20-,27-25-,32-30-
HMDB43491	TG(15:0/20:3n6/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,53H,4-15,17-18,20-24,28,31,33-52H2,1-3H3/b19-16-,27-25-,29-26-,32-30-
HMDB43496	TG(15:0/20:3n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,54H,4-15,17-18,21-22,24,26,29,32,34-53H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,33-31-
HMDB43497	TG(15:0/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,34,37,53H,4-15,18,21-24,28,31,33,35-36,38-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,37-34-
HMDB43494	TG(15:0/20:3n6/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,36,57H,4-16,18-19,21-24,29-33,35,37-56H2,1-3H3/b20-17-,27-25-,28-26-,36-34-
HMDB43495	TG(15:0/20:3n6/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,38,59H,4-16,18-19,21-24,29-35,37,39-58H2,1-3H3/b20-17-,27-25-,28-26-,38-36-
HMDB10258	CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h22,24,26-28,31,33-34,36-37,39,41,77-79,84H,5-21,23,25,29-30,32,35,38,40,42-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22-,28-24-,31-27-,37-33-,39-34-,41-36-/t77?,78-,79-/m1/s1
HMDB10259	CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h22,24,26,28,33-37,39-41,77-79,84H,5-21,23,25,27,29-32,38,42-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22-,28-24-,37-33-,39-34-,40-35-,41-36-/t77?,78-,79-/m1/s1
HMDB49202	TG(18:1(11Z)/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,64H,4-20,22-23,25,27-28,30-63H2,1-3H3/b24-21-,29-26-
HMDB58266	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-9,12-13,16-20,24,29-31,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB58261	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58260	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58263	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,64-65,68,85-87,92H,5-9,11-13,15-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-63,66-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-/t85?,86-,87-/m1/s1
HMDB58262	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB10250	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,40,42-45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,29-32,39,41,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB10251	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-38,40,42-45,48,50,54,62,66,81-83,88H,5-8,11-12,15-20,29-32,39,41,46-47,49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB10252	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-28,33-39,43-46,48-50,56-58,60-62,81-83,88H,5-20,29-32,40-42,47,51-55,59,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,43-36-,48-44-,49-45-,50-46-,60-56-,61-57-,62-58-/t81?,82-,83-/m1/s1
HMDB10253	CL(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-39,43-46,48-50,81-83,88H,5-8,12,16-20,29-32,40-42,47,51-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,43-36-,48-44-,49-45-,50-46-/t81?,82-,83-/m1/s1
HMDB10254	CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h24,26-28,30-31,33,36-37,41,77-79,84H,5-23,25,29,32,34-35,38-40,42-76H2,1-4H3,(H,89,90)(H,91,92)/b28-24-,30-26-,31-27-,37-33-,41-36-/t77?,78-,79-/m1/s1
HMDB10255	CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h24,26,28,30,33,35-37,40-41,77-79,84H,5-23,25,27,29,31-32,34,38-39,42-76H2,1-4H3,(H,89,90)(H,91,92)/b28-24-,30-26-,37-33-,40-35-,41-36-/t77?,78-,79-/m1/s1
HMDB10256	CL(20:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h24,27-28,31,33-34,36-37,39,41,77-79,84H,5-23,25-26,29-30,32,35,38,40,42-76H2,1-4H3,(H,89,90)(H,91,92)/b28-24-,31-27-,37-33-,39-34-,41-36-/t77?,78-,79-/m1/s1
HMDB10257	CL(20:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h24,28,33-37,39-41,77-79,84H,5-23,25-27,29-32,38,42-76H2,1-4H3,(H,89,90)(H,91,92)/b28-24-,37-33-,39-34-,40-35-,41-36-/t77?,78-,79-/m1/s1
HMDB52853	TG(18:3(6Z,9Z,12Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,31-34,50H,4-6,8-9,11-15,18,21-23,28-30,35-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-
HMDB49900	TG(18:1(9Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,55H,4-20,22-23,25,27-28,30-54H2,1-3H3/b24-21-,29-26-
HMDB49905	TG(18:1(9Z)/18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h25-28,34-35,60H,4-24,29-33,36-59H2,1-3H3/b28-25-,34-26-,35-27-
HMDB49908	TG(18:1(9Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,22,25-27,29-30,55H,4-12,14-15,17-21,23-24,28,31-54H2,1-3H3/b16-13-,25-22-,29-26-,30-27-
HMDB49909	TG(18:1(9Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-32,34,56H,4-15,17-18,20-24,29,33,35-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-
HMDB52506	TG(18:2(9Z,12Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,31,55H,4-14,17,21-22,25,28-30,32-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-27-
HMDB52507	TG(18:2(9Z,12Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-31,34,37,55H,4-14,17,21-22,25,28,32-33,35-36,38-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-
HMDB52504	TG(18:2(9Z,12Z)/14:1(9Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-30,32,53H,4-14,17,21-22,25,28,31,33-52H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-27-,32-30-
HMDB52505	TG(18:2(9Z,12Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-30,32,37,40,53H,4-14,17,21-22,25,28,31,33-36,38-39,41-52H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-27-,32-30-,40-37-
HMDB52502	TG(18:2(9Z,12Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-20,22,25-28,32,34,51H,4-14,16,21,23-24,29-31,33,35-50H2,1-3H3/b18-15-,20-17-,22-19-,27-25-,28-26-,34-32-
HMDB52503	TG(18:2(9Z,12Z)/14:1(9Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-24,27,29,52H,4-12,14,17,19,21,25-26,28,30-51H2,1-3H3/b16-13-,18-15-,23-20-,24-22-,29-27-
HMDB52500	TG(18:2(9Z,12Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-40-43-46-49-52-55-58-64(66)69-62(60-67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)61-68-63(65)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20,23,29,36,62H,4-19,21-22,24-28,30-35,37-61H2,1-3H3/b23-20-,36-29-
HMDB52501	TG(18:2(9Z,12Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,26-29,52H,4-14,16-17,21,24-25,30-51H2,1-3H3/b18-15-,22-19-,23-20-,28-26-,29-27-
HMDB52508	TG(18:2(9Z,12Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-31,34,37,42,45,55H,4-14,17,21-22,25,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-,45-42-
HMDB52509	TG(18:2(9Z,12Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25-28,51H,4-7,9-10,12-14,16,21,23-24,29-50H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,28-26-
HMDB45234	TG(18:0/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,59H,4-15,17-18,20-24,26-27,29-58H2,1-3H3/b19-16-,28-25-
HMDB45235	TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,30-31,37,40,58H,4-15,17-18,20-24,26-27,29,32-36,38-39,41-57H2,1-3H3/b19-16-,28-25-,31-30-,40-37-
HMDB45236	TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,39,42,60H,4-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,28-25-,33-31-,42-39-
HMDB45237	TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,33,35,41,44,62H,4-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-61H2,1-3H3/b20-17-,29-26-,35-33-,44-41-
HMDB45230	TG(18:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,60H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-
HMDB57516	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-27,30-31,33-34,36,40,46,50,71-73,78H,5-20,22-24,28-29,32,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,31-27-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1
HMDB45231	TG(18:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,44,47,60H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB45232	TG(18:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,40,43,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,43-40-
HMDB45233	TG(18:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB57517	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,27-28,31-33,35,38,41,48,52,73-75,80H,5-20,22-24,26,29-30,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB51581	TG(22:1(13Z)/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,25-28,32-33,38,41,58H,4-16,18-19,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b20-17-,28-25-,32-26-,33-27-,41-38-
HMDB51580	TG(22:1(13Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,33-34,59H,4-19,21-22,24,26,30-32,35-58H2,1-3H3/b23-20-,28-25-,33-27-,34-29-
HMDB51587	TG(22:1(13Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,36,39,42,48,51,62H,4-15,17-18,20-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-
HMDB51586	TG(22:1(13Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,36,39,42,62H,4-15,17-18,20-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,36-27-,42-39-
HMDB57518	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H136O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-28,30-34,36,40,46,50,71-73,78H,5-20,22-24,29,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,31-27-,32-28-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1
HMDB57514	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1
HMDB57519	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,38,41,48,52,73-75,80H,5-20,22-24,29,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB45628	TG(20:0/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,36,39,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,39-36-
HMDB57515	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB41825	americium	[Am]	InChI=1S/Am
HMDB41824	alpha-zearalenol	[H]\C1=C([H])/C2=CC(O)=CC(O)=C2C(=O)O[C@@]([H])(C)CCC[C@]([H])(O)CCC1	InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1
HMDB41827	ammonium	[NH4+]	InChI=1S/H3N/h1H3/p+1
HMDB41826	amifloxacin	CNN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1	InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)
HMDB41821	acetylisoniazid	CC(O)=NNC(=O)C1=CC=NC=C1	InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)
HMDB41820	8-oxoguanine	OC1=NC(=N)N=C2NC(=O)N=C12	InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)
HMDB41822	Acrolein	C=CC=O	InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
HMDB57512	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-36-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3/h21,25-28,30-33,35-36,38-39,43,51,55,74-76,81H,5-20,22-24,29,34,37,40-42,44-50,52-54,56-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-36-,43-39-,55-51-/t74?,75-,76-/m1/s1
HMDB36060	Hebevinoside IV	COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12	InChI=1S/C36H60O7/c1-20(2)11-10-12-21(3)28-24(37)18-36(8)31-26(41-9)17-23-22(34(31,6)15-16-35(28,36)7)13-14-27(33(23,4)5)43-32-30(40)29(39)25(38)19-42-32/h11,17,21-22,24-32,37-40H,10,12-16,18-19H2,1-9H3
HMDB12270	Nordihydroguaiaretate	C[C@@H](CC1=CC=C(O)C(O)=C1)[C@@H](C)CC1=CC=C(O)C(O)=C1	InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12-/m0/s1
HMDB12271	O-Ureidohomoserine	NC(CCONC(O)=N)C(O)=O	InChI=1S/C5H11N3O4/c6-3(4(9)10)1-2-12-8-5(7)11/h3H,1-2,6H2,(H,9,10)(H3,7,8,11)
HMDB12273	Palmitic amide	CCCCCCCCCCCCCCCC(N)=O	InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)
HMDB12275	Phenylethylamine	NCCC1=CC=CC=C1	InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
HMDB12276	Phosphoribosyl-AMP	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN([C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N	InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14+,15-/m1/s1
HMDB12277	PhosphoribosylformiminoAICAR-phosphate	NC(=O)C1=C(\N=C\NC2OC(COP(O)(O)=O)C(O)C2O)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O	InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)
HMDB12278	Phosphoribulosylformimino-AICAR-P	O[C@H](COP(=O)(O)O)[C@@H](O)C(=O)CN\C=N\C1=C(C(=O)N)N=CN1[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8+,10+,11+,12+,15+/m1/s1
HMDB53750	TG(20:3n6/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,39,42,56H,4-15,18,22-23,29-30,33,36-38,40-41,43-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-
HMDB53751	TG(20:3n6/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,58H,4-15,18,22-23,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB53752	TG(20:3n6/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,58H,4-15,18,22-23,29,31,34-35,38,40-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-
HMDB53753	TG(20:3n6/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-
HMDB53754	TG(20:3n6/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,54H,4-7,9-10,12-15,18,22-23,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-
HMDB53755	TG(20:3n6/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33-34,37,54H,4-7,9-10,12-15,18,22-23,28,31-32,35-36,38-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-
HMDB53756	TG(20:3n6/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-
HMDB53757	TG(20:3n6/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,39,42,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-
HMDB36067	Epoxycampholenic aldehyde	CC12OC1CC(CC=O)C2(C)C	InChI=1S/C10H16O2/c1-9(2)7(4-5-11)6-8-10(9,3)12-8/h5,7-8H,4,6H2,1-3H3
HMDB53759	TG(20:3n6/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-
HMDB56508	CL(16:0/18:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,28,30,32,69-71,76H,5-25,27,29,31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,32-28-/t69?,70-,71-/m1/s1
HMDB56509	CL(16:0/18:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,71-73,78H,5-24,26-28,30-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-/t71?,72-,73-/m1/s1
HMDB50218	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-34,36,38-39,41,60H,4-6,9,12-15,18,21-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-
HMDB50219	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-34,36,38-39,41,47,50,60H,4-6,9,12-15,18,21-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-
HMDB50210	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-34,36-37,42,45,58H,4-7,9-10,12-15,18,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB50211	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34,36,39,60H,4-7,9-10,12-15,18,21-24,30-33,35,37-38,40-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,39-36-
HMDB50212	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-34,36,38-39,41,60H,4-7,9-10,12-15,18,21-24,30,32,35,37,40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-
HMDB50213	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-34,36,38-39,41,47,50,60H,4-7,9-10,12-15,18,21-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-
HMDB50214	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-32,35,56H,4-6,9,12-15,18,21-24,29,33-34,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-
HMDB50215	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-32,35-36,39,56H,4-6,9,12-15,18,21-24,29,33-34,37-38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-
HMDB50216	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-34,36-37,58H,4-6,9,12-15,18,21-24,30-31,35,38-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-
HMDB50217	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-34,36-37,42,45,58H,4-6,9,12-15,18,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB54908	TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB54909	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-15,18,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-
HMDB54900	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,50,53,63H,4-7,9-10,12-15,18,21-24,27,30-32,37-39,42,45-49,51-52,54-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,53-50-
HMDB54901	TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB54902	TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB54903	TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,40,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-
HMDB54904	TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB54905	TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-
HMDB54906	TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB54907	TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB57511	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h25-32,35-38,73-75,80H,5-24,33-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,32-28-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB36065	alpha-Farnesene	CC(C)=CCC\C(C)=C/C\C=C(/C)C=C	InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12-
HMDB36064	27-Hydroxyisomangiferolic acid	CC(CC\C=C(\CO)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H48O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-24,31-32H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8-
HMDB09362	PE(20:3(8Z,11Z,14Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,43H,3-10,12,14-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-/t43-/m1/s1
HMDB09363	PE(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,43H,3-10,15-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-/t43-/m1/s1
HMDB09360	PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,41H,3-5,7,9-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1
HMDB09361	PE(20:3(8Z,11Z,14Z)/20:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,43H,3-10,12,14-16,18,20-22,24,26-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,25-23-/t43-/m1/s1
HMDB09366	PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,30,32,43H,3-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1
HMDB09367	PE(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,43H,3-5,7,9-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t43-/m1/s1
HMDB09364	PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,30,32,43H,3-10,12,14-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1
HMDB09365	PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,43H,3-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t43-/m1/s1
HMDB09368	PE(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,30,32,43H,3-5,7,9-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1
HMDB09369	PE(20:3(8Z,11Z,14Z)/22:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,45H,3-11,13,15-17,19,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,27-25-/t45-/m1/s1
HMDB01177	(S)-Succinyldihydrolipoamide	NC(=O)CCCC[C@H](CCS)SC(=O)CCC(O)=O	InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(7-8-18)19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)/t9-/m1/s1
HMDB01176	Cytidine monophosphate N-acetylneuraminic acid	[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1
HMDB01175	Malonyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O	InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1
HMDB01173	5'-Methylthioadenosine	CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
HMDB01172	2-Methyl-3-oxopropanoic acid	CC(C=O)C(O)=O	InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)
HMDB01170	Lathosterol	[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1
HMDB01179	Nicotinic acid adenine dinucleotide	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1	InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
HMDB01178	Adenosine diphosphate ribose	NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1	InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)
HMDB40057	()-2-Pentylthiazolidine	CCCCCC1NCCS1	InChI=1S/C8H17NS/c1-2-3-4-5-8-9-6-7-10-8/h8-9H,2-7H2,1H3
HMDB40056	xi-1-(Propylthio)-1-propanethiol	CCCSC(S)CC	InChI=1S/C6H14S2/c1-3-5-8-6(7)4-2/h6-7H,3-5H2,1-2H3
HMDB40055	3-[(2-Furanylmethyl)thio]propanoic acid; Et ester	CCOC(=O)CCSCC1=CC=CO1	InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3
HMDB40054	3-Ethyl-2-methoxypyrazine	CCC1=C(OC)N=CC=N1	InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3
HMDB40053	2-Isopropyl-6-methoxypyrazine	COC1=NC(=CN=C1)C(C)C	InChI=1S/C8H12N2O/c1-6(2)7-4-9-5-8(10-7)11-3/h4-6H,1-3H3
HMDB40052	2-Isopropyl-5-methoxypyrazine	COC1=NC=C(N=C1)C(C)C	InChI=1S/C8H12N2O/c1-6(2)7-4-10-8(11-3)5-9-7/h4-6H,1-3H3
HMDB40051	5-Acetyl-2,3-dihydro-1H-pyrrolizine	CC(=O)C1=CC=C2CCCN12	InChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3
HMDB40050	3,4-Dihydro-5-(5-methyl-2-furanyl)-2H-pyrrole	CC1=CC=C(O1)C1=NCCC1	InChI=1S/C9H11NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5H,2-3,6H2,1H3
HMDB48260	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-
HMDB48261	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25-28,51H,4-7,9-10,12-14,16,21,23-24,29-50H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,28-26-
HMDB48262	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,31,34,50H,4-7,9-10,12-14,21-23,28-30,32-33,35-49H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-
HMDB48263	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,13,15-18,20,22,24-25,27,51H,4-7,9-10,12,14,19,21,23,26,28-50H2,1-3H3/b11-8-,16-13-,18-15-,20-17-,24-22-,27-25-
HMDB36069	Pulegenone	CC(C)C1=CCC(C)C1=O	InChI=1S/C9H14O/c1-6(2)8-5-4-7(3)9(8)10/h5-7H,4H2,1-3H3
HMDB48265	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,36,39,52H,4-7,9-10,12-14,21-23,27,31-35,37-38,40-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-
HMDB40059	()-2-(2-Furanyl)pyrrolidine	C1CNC(C1)C1=CC=CO1	InChI=1S/C8H11NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
HMDB40058	()-2-Propylthiazolidine	CCCC1NCCS1	InChI=1S/C6H13NS/c1-2-3-6-7-4-5-8-6/h6-7H,2-5H2,1H3
HMDB06744	3-carboxy-1-hydroxypropylthiamine diphosphate	CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC(C(O)CCC(O)=O)=[N+]1CC1=C(N)N=C(C)N=C1	InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1
HMDB55369	TG(18:4(6Z,9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32-33,35-36,52H,4-6,9,12-15,18,21-24,29-31,34,37-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-
HMDB55368	TG(18:4(6Z,9Z,12Z,15Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H98O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,52H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-51H2,1-3H3/b11-8-,20-17-,28-26-,35-33-
HMDB03993	Alpha-Carotene	C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
HMDB06740	CE(20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C47H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h28,37-38,40-44H,7-27,29-36H2,1-6H3/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1
HMDB03990	3b,5a,6b-Cholestanetriol	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12C	InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
HMDB55363	TG(18:4(6Z,9Z,12Z,15Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H88O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32-35,51H,4-6,9,12-15,18,21-24,29-31,36-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,35-33-
HMDB55362	TG(18:4(6Z,9Z,12Z,15Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,51H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-50H2,1-3H3/b11-8-,20-17-,27-25-,34-32-
HMDB55361	TG(18:4(6Z,9Z,12Z,15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,35-37,41,44,54H,4-6,9,12-15,18,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-
HMDB55360	TG(18:4(6Z,9Z,12Z,15Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,35-37,54H,4-6,9,12-15,18,21-23,27,31-32,34,38-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-
HMDB55367	TG(18:4(6Z,9Z,12Z,15Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,36-38,42,45,55H,4-6,9,12-15,18,21-24,28,32-33,35,39-41,43-44,46-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-,45-42-
HMDB55366	TG(18:4(6Z,9Z,12Z,15Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,36-38,55H,4-6,9,12-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-
HMDB55365	TG(18:4(6Z,9Z,12Z,15Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,34,36-37,40,53H,4-6,9,12-15,18,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-
HMDB55364	TG(18:4(6Z,9Z,12Z,15Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,34,36,53H,4-6,9,12-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-
HMDB04679	8-HETE	CCCCC\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
HMDB54019	TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,37-38,40-41,54H,4-6,8-9,11-15,18,21-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB04673	11,12-Epoxyeicosatrienoic acid	CCCCC\C=C\CC1OC1C\C=C\C\C=C\CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10+
HMDB54013	TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,39,42,56H,4-15,18,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-,42-39-
HMDB54010	TG(20:3n6/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-
HMDB04670	Alpha-dimorphecolic	CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O	InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1
HMDB01280	2-Aminomuconic acid semialdehyde	N\C(=C\C=C/C=O)C(O)=O	InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+
HMDB54014	TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38-39,42,56H,4-15,18,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB01282	Diadenosine hexaphosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1	InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
HMDB57291	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-35,37-38,41-45,51-52,55-56,63-64,67-68,83-85,90H,5-20,23-24,27-32,36,39-40,46-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB57257	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57293	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB57292	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-35,37-38,41-45,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,36,39-40,46-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57295	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,42-45,47,52-53,56-57,64-65,68-69,84-86,91H,5-20,23-24,28-30,32,35-36,40-41,46,48-51,54-55,58-63,66-67,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-,68-64-,69-65-/t84?,85-,86-/m1/s1
HMDB57294	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57297	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB57296	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,37-39,42-45,47,52-53,56-57,64,68,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35-36,40-41,46,48-51,54-55,58-63,65-67,69-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-,68-64-/t84?,85-,86-/m1/s1
HMDB57299	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,42-43,45-46,48,52-54,57-58,60,64-66,69-70,85-87,92H,5-20,24,28-32,36,40-41,44,47,49-51,55-56,59,61-63,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57298	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,41,44,46-47,50-52,56,58-59,62-64,68,83-85,90H,5-20,24,28-32,36,40,42-43,45,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB51622	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB51623	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,36,39-40,43,45,48,60H,4-8,10-11,13-17,19-20,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB51620	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,40-41,43-44,49,52,64H,4-15,17-18,20-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB51621	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-15,17-18,20-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB51626	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB51627	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB48198	TG(14:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30,32,36,39,58H,4-14,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-
HMDB48199	TG(14:1(9Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30,32,36,39,45,48,58H,4-14,21-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,48-45-
HMDB48196	TG(14:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,32,34,40,43,56H,4-14,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,43-40-
HMDB48197	TG(14:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,58H,4-14,21-23,28-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-
HMDB48194	TG(14:1(9Z)/22:2(13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,55H,4-13,20-22,27-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-
HMDB48195	TG(14:1(9Z)/22:2(13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,32,34,56H,4-14,21-23,28-31,33,35-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,34-32-
HMDB48192	TG(14:1(9Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,31,55H,4-14,17,21-22,25,28-30,32-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-27-
HMDB48193	TG(14:1(9Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,30,35,38,54H,4-14,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,30-25-,38-35-
HMDB48190	TG(14:1(9Z)/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,58H,4-14,16,19,21-23,28-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-
HMDB48191	TG(14:1(9Z)/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,60H,4-14,16,19,21-23,28-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-
HMDB57251	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-35,37-38,41,43-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,27-32,36,39-40,42,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,47-43-,48-44-,59-55-,60-56-/t79?,80-,81-/m1/s1
HMDB35901	Thiacremonone	CC1=C(O)C(=O)C(C)(O)S1	InChI=1S/C6H8O3S/c1-3-4(7)5(8)6(2,9)10-3/h7,9H,1-2H3
HMDB35900	Muricatenol	CCCCCCCCCCCCCCCC(O)C(O)CC\C=C/CCCC(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H68O6/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-27-35(40)36(41)28-23-17-14-15-19-24-33(38)25-20-18-21-26-34(39)30-32-29-31(2)43-37(32)42/h14,17,29,31,33-36,38-41H,3-13,15-16,18-28,30H2,1-2H3/b17-14-
HMDB35903	Enokipodin A	CC1=CC2=C(C=C1O)C1(C)CCC(O)(O2)C1(C)C	InChI=1S/C15H20O3/c1-9-7-12-10(8-11(9)16)14(4)5-6-15(17,18-12)13(14,2)3/h7-8,16-17H,5-6H2,1-4H3
HMDB35902	Enokipodin B	CC1=CC(=O)C(=CC1=O)C1(C)CC(=O)CC1(C)C	InChI=1S/C15H18O3/c1-9-5-13(18)11(6-12(9)17)15(4)8-10(16)7-14(15,2)3/h5-6H,7-8H2,1-4H3
HMDB35905	Quadranguloside	C\C(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=C\CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C4(C)C	InChI=1S/C54H90O23/c1-24(20-70-46-44(68)40(64)36(60)29(75-46)21-71-47-42(66)38(62)34(58)27(18-56)73-47)7-6-8-25(17-55)26-11-13-52(5)32-10-9-31-50(2,3)33(12-14-53(31)23-54(32,53)16-15-51(26,52)4)77-49-45(69)41(65)37(61)30(76-49)22-72-48-43(67)39(63)35(59)28(19-57)74-48/h7,25-49,55-69H,6,8-23H2,1-5H3/b24-7-
HMDB35904	Phyllanthusol B	CC1COC2(CC1OC(=O)C1=CC=CC=C1)OC1CC(CC(O)C1(O)C2O)C(=O)OC1CC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1NC(C)=O	InChI=1S/C35H49NO18/c1-14-13-49-34(11-20(14)51-30(45)16-6-4-3-5-7-16)33(47)35(48)22(40)8-17(9-23(35)54-34)31(46)50-19-10-18(39)25(41)28(44)29(19)53-32-24(36-15(2)38)27(43)26(42)21(12-37)52-32/h3-7,14,17-29,32-33,37,39-44,47-48H,8-13H2,1-2H3,(H,36,38)
HMDB35907	Linalyl oxide	CC(C)(O)C1CCC(C)(O1)C=C	InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
HMDB35906	Alantolactone	CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12	InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3
HMDB35909	Glaucarubol 15-O-beta-D-glucopyranoside	CC1C(O)C2(O)OCC34C2C2(C)C(O)C(O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14	InChI=1S/C26H38O13/c1-8-4-11(28)20(33)24(3)10(8)5-13-25-7-36-26(35,23(24)25)19(32)9(2)14(25)18(21(34)38-13)39-22-17(31)16(30)15(29)12(6-27)37-22/h4,9-20,22-23,27-33,35H,5-7H2,1-3H3
HMDB35908	Lucidenic acid H	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3O	InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18-19,28-29,31H,6-13H2,1-5H3,(H,33,34)
HMDB51992	TG(24:1(15Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,64H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-
HMDB51993	TG(24:1(15Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-,50-47-
HMDB51994	TG(24:1(15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,46-43-
HMDB51995	TG(24:1(15Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,43,46,52,55,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,46-43-,55-52-
HMDB51996	TG(24:1(15Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-
HMDB51997	TG(24:1(15Z)/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,70H,4-24,27,30-69H2,1-3H3/b28-25-,29-26-
HMDB02486	Taurochenodeoxycholate-3-sulfate	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)S(O)(=O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO9S2/c1-15(4-7-23(30)27-10-11-37(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(38(34,35)36)12-16(25)13-21(24)28/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25+,26-/m1/s1
HMDB02488	7a,12b-dihydroxy-5b-Cholan-24-oic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20-,22+,23+,24-/m1/s1
HMDB33428	(+)-Setoclavine	CN1CC(C)(O)C=C2C1CC1=CNC3=CC=CC2=C13	InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3
HMDB33429	Tanakamine	CC(C)(O)C(CO)C1=CNC2=C1C=CC=C2	InChI=1S/C13H17NO2/c1-13(2,16)11(8-15)10-7-14-12-6-4-3-5-9(10)12/h3-7,11,14-16H,8H2,1-2H3
HMDB33420	Gibberellin A55	CC12C3C(C(O)=O)C45CC(C(O)CC4C3(OC1=O)C(O)CC2O)C(=C)C5	InChI=1S/C19H24O7/c1-7-5-18-6-8(7)9(20)3-10(18)19-12(22)4-11(21)17(2,16(25)26-19)14(19)13(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)
HMDB33421	Ergosta-5,7,22-trien-3-ol; (3b,22E,24R)-form, 5x,6x-Epoxide	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC4OC44CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25-28(30-25)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29H,9-14,16H2,1-6H3/b8-7+
HMDB33422	(2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2-&gt;7,4-&gt;8)-3,4',5,7-tetrahydroxyflavan	OC1CC2=C(OC1C1=CC=C(O)C=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O	InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2
HMDB33423	12,15-cis-Squamostatin A	CCCCCCC(O)CCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCCCC2=CC(C)OC2=O)O1	InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
HMDB33424	3,14,19-Trihydroxycard-20(22)-enolide; (3b,5b,14b)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-2,6-dideoxy-b-D-xylo-hexopyranoside]	CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(CO)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1	InChI=1S/C35H54O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,17,19-25,27-32,36-38,40-43H,3-10,12-16H2,1-2H3
HMDB33425	Lanost-8,24-diene-3,21-diol; 3b-form, 21-Carboxylic acid, 3-Ac, 21-O-b-D-glucopyranosyl ester	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C38H60O9/c1-21(2)10-9-11-23(33(44)47-34-32(43)31(42)30(41)27(20-39)46-34)24-14-18-38(8)26-12-13-28-35(4,5)29(45-22(3)40)16-17-36(28,6)25(26)15-19-37(24,38)7/h10,23-24,27-32,34,39,41-43H,9,11-20H2,1-8H3
HMDB33426	Betavulgaroside VI	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H72O21/c1-42(2)13-15-47(41(62)68-39-30(54)29(53)28(52)23(18-48)64-39)16-14-45(5)21(22(47)17-42)7-8-25-43(3)11-10-26(44(4,20-49)24(43)9-12-46(25,45)6)65-40-32(56)34(31(55)35(67-40)37(60)61)66-38(33(57)36(58)59)63-19-27(50)51/h7,22-26,28-35,38-40,48-49,52-57H,8-20H2,1-6H3,(H,50,51)(H,58,59)(H,60,61)
HMDB33427	Betavulgaroside VII	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C41H62O16/c1-36(2)13-15-41(35(52)53)16-14-39(5)20(21(41)17-36)7-8-23-37(3)11-10-24(38(4,19-42)22(37)9-12-40(23,39)6)55-34-27(46)29(26(45)30(57-34)32(50)51)56-33(28(47)31(48)49)54-18-25(43)44/h7,21-24,26-30,33-34,42,45-47H,8-19H2,1-6H3,(H,43,44)(H,48,49)(H,50,51)(H,52,53)
HMDB41018	Calenduloside G methyl ester	COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C43H68O14/c1-38(2)15-17-43(37(51)52)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-31(49)32(30(48)33(57-36)34(50)53-8)56-35-29(47)28(46)27(45)23(20-44)54-35/h9,22-33,35-36,44-49H,10-20H2,1-8H3,(H,51,52)
HMDB41019	Momordin IIa	COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-33(55)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)36(34(56)37(65-41)38(58)60-8)64-39-32(54)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3
HMDB46048	TG(20:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,61H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-60H2,1-3H3/b19-16-,28-25-,34-32-,42-39-
HMDB46049	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,50,53,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,28-25-,35-32-,44-41-,53-50-
HMDB41014	4-Decenal	CCCCC\C=C/CCC=O	InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6-
HMDB41015	4-Mercapto-2-butanone	CC(=O)CCS	InChI=1S/C4H8OS/c1-4(5)2-3-6/h6H,2-3H2,1H3
HMDB41016	Eriobofuran	COC1=CC2=C(OC3=C2C=CC=C3)C(OC)=C1O	InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3
HMDB41017	Momordin Ia	COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C42H66O13/c1-37(2)15-17-42(36(49)50)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-30(47)31(29(46)32(55-35)33(48)51-8)54-34-28(45)27(44)23(43)20-52-34/h9,22-32,34-35,43-47H,10-20H2,1-8H3,(H,49,50)
HMDB41010	()-2-Pentanethiol	CCCC(C)S	InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
HMDB41011	beta-Cyclocitral	CC1=C(C=O)C(C)(C)CCC1	InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
HMDB41012	6-Decenoic acid	CCC\C=C\CCCCC(O)=O	InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5H,2-3,6-9H2,1H3,(H,11,12)/b5-4+
HMDB41013	Isocyclocitral	CC1CC(C)=CC(C)C1C=O	InChI=1S/C10H16O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,6,8-10H,5H2,1-3H3
HMDB52091	TG(24:1(15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,38,41,44,50,53,64H,4-7,9-10,12-16,18-19,21-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-
HMDB44754	TG(18:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,52H,4-20,22-23,25-51H2,1-3H3/b24-21-
HMDB44751	TG(18:0/18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB44752	TG(18:0/18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB44753	TG(18:0/18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-
HMDB44758	TG(18:0/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,28,32,34,40,43,56H,4-24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b28-25-,34-32-,43-40-
HMDB44759	TG(18:0/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h25,28,58H,4-24,26-27,29-57H2,1-3H3/b28-25-
HMDB58087	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,47,51,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB07664	DG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,43,46H,3-5,7,9-10,15-16,21-25,27,29-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-/t43-/m0/s1
HMDB02122	Prostaglandin F3a	CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
HMDB56402	CL(16:0/16:0/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1
HMDB58086	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-37,39-40,42-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,38,41,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB39109	(Z)-1,3-Tridecadiene-5,7,9,11-tetrayne	CC#CC#CC#CC#C\C=C\C=C	InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1H2,2H3/b7-5+
HMDB39108	Calendasaponin D	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H86O25/c1-49(2)16-22-21-8-9-27-51(5)12-11-29(50(3,4)26(51)10-13-53(27,7)52(21,6)14-15-54(22,17-28(49)58)48(71)79-46-38(67)35(64)32(61)25(20-57)74-46)75-47-42(78-45-37(66)34(63)31(60)24(19-56)73-45)40(39(68)41(77-47)43(69)70)76-44-36(65)33(62)30(59)23(18-55)72-44/h8,22-42,44-47,55-68H,9-20H2,1-7H3,(H,69,70)
HMDB39105	3-Oxo-14,15-dehydrorhazinilam	CCC12CCC(=O)NC3=C(C=CC=C3)C3=C1N(C=C3)C(=O)C=C2	InChI=1S/C19H18N2O2/c1-2-19-10-7-16(22)20-15-6-4-3-5-13(15)14-9-12-21(18(14)19)17(23)8-11-19/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,20,22)
HMDB39104	(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne	CC#CC#CC#C\C=C\C=C\C=C	InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9,11H,1H2,2H3/b7-5+,11-9+
HMDB39107	Ginsenoyne A	OC(C=C)C#CC#CCC1OC1CCCCCC=C	InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h3-4,15-18H,1-2,5-7,10,13-14H2
HMDB39106	2,4-Undecadiene-8,10-diynoic acid isobutylamide	CC(C)CNC(=O)\C=C\C=C/CCC#CC#C	InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,9-12,14H,7-8,13H2,2-3H3,(H,16,17)/b10-9-,12-11+
HMDB39101	Etrogol	CC(C)=CCOC1=CC=C(CCO)C=C1	InChI=1S/C13H18O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,8,14H,7,9-10H2,1-2H3
HMDB39100	4-Acetylzearalenone	CC1CCCC(=O)CCC\C=C\C2=CC(OC(C)=O)=CC(O)=C2C(=O)O1	InChI=1S/C20H24O6/c1-13-7-6-10-16(22)9-5-3-4-8-15-11-17(26-14(2)21)12-18(23)19(15)20(24)25-13/h4,8,11-13,23H,3,5-7,9-10H2,1-2H3/b8-4+
HMDB39103	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-b-D-Glucopyranoside, 8-O-b-D-glucuronopyranoside	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3OC3OC(C(O)C(O)C3O)C(O)=O)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)45-23-14(34)12-9(31)4-10(32)21(22(12)43-20(23)6-1-2-7(29)8(30)3-6)44-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)
HMDB39102	N-Carboxyacetyl-D-phenylalanine	OC(=O)CC(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C12H13NO5/c14-10(7-11(15)16)13-9(12(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)
HMDB47311	TG(24:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,38,41-42,45,47,50,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB47310	TG(24:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,41-38-,50-47-
HMDB47313	TG(24:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB47312	TG(24:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,38,40-41,43,49,52,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB47315	TG(24:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB47314	TG(24:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB31378	4-Epiisoinuviscolide	CC1=CC2OC(=O)C(=C)C2CC2C1CCC2(C)O	InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h6,10-13,17H,2,4-5,7H2,1,3H3
HMDB31379	Annosquamosin B	CC1(O)CCCC2(C)C3CCC4CC3(CC4(O)CO)CCC12	InChI=1S/C19H32O3/c1-16-7-3-8-17(2,21)14(16)6-9-18-10-13(4-5-15(16)18)19(22,11-18)12-20/h13-15,20-22H,3-12H2,1-2H3
HMDB31376	Congmuyenoside A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C48H78O19/c1-43(2)13-15-48(42(60)61)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(67-40-36(59)34(57)31(54)25(19-50)63-40)37(32(55)26(20-51)64-41)66-39-35(58)33(56)30(53)24(18-49)62-39/h7,23-41,49-59H,8-21H2,1-6H3,(H,60,61)
HMDB31377	Congmuyenoside B	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C54H88O24/c1-49(2)13-15-54(48(69)70)16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(51(4,22-59)29(50)9-12-53(30,52)6)75-47-43(78-45-39(67)37(65)33(61)26(19-56)72-45)42(35(63)28(21-58)74-47)77-46-40(68)41(34(62)27(20-57)73-46)76-44-38(66)36(64)32(60)25(18-55)71-44/h7,24-47,55-68H,8-22H2,1-6H3,(H,69,70)
HMDB31374	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)E,4E,6a,9b)-form, O-(2-Methylbutanoyl)	CCC(C)C(=O)OC1CC2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C	InChI=1S/C20H28O4/c1-6-13(3)19(21)23-17-11-16-15(5)20(22)24-18(16)10-12(2)8-7-9-14(17)4/h9-10,13,16-18H,5-8,11H2,1-4H3/b12-10+,14-9+
HMDB31375	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)E,4E,6a,9b)-form, O-(3-Methylbutanoyl)	CC(C)CC(=O)OC1CC2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C	InChI=1S/C20H28O4/c1-12(2)9-19(21)23-17-11-16-15(5)20(22)24-18(16)10-13(3)7-6-8-14(17)4/h8,10,12,16-18H,5-7,9,11H2,1-4H3/b13-10+,14-8+
HMDB31372	Ceposide D	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OCC(O)C(O)C2OC2OC(C)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C56H90O26/c1-21-8-13-56(72-19-21)22(2)34-30(82-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)74-52-47(35(61)29(60)20-71-52)80-49-44(70)41(67)45(23(3)73-49)78-53-48(81-51-43(69)40(66)37(63)32(17-58)76-51)46(38(64)33(18-59)77-53)79-50-42(68)39(65)36(62)31(16-57)75-50/h6,21-23,25-53,57-70H,7-20H2,1-5H3
HMDB31373	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)E,4E,6a,9b)-form, O-(2-Methylpropanoyl)	CC(C)C(=O)OC1CC2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C	InChI=1S/C19H26O4/c1-11(2)18(20)22-16-10-15-14(5)19(21)23-17(15)9-12(3)7-6-8-13(16)4/h8-9,11,15-17H,5-7,10H2,1-4H3/b12-9+,13-8+
HMDB31370	2-[(Methylthio)methyl]-2-butenal	CSC\C(=C\C)C=O	InChI=1S/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3/b6-3+
HMDB31371	Notoginsenoside I	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C54H92O22/c1-24(2)10-9-16-54(8,76-48-44(68)40(64)37(61)30(73-48)23-69-46-42(66)38(62)34(58)27(20-55)70-46)26-13-18-52(6)25(26)11-12-32-51(5)17-15-33(50(3,4)31(51)14-19-53(32,52)7)74-49-45(41(65)36(60)29(22-57)72-49)75-47-43(67)39(63)35(59)28(21-56)71-47/h10,25-49,55-68H,9,11-23H2,1-8H3
HMDB37433	Paeonoside	OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2
HMDB37432	Kaempferol 3-(2''-rhamnosylrutinoside)	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O	InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)52-30-25(43)20(38)11(2)48-33(30)46-9-17-21(39)24(42)27(45)32(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3
HMDB37431	Allivicin	OCC1OC(OC2=CC=C(C=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-3-1-9(2-4-11)24-25(19(34)16-12(31)5-10(30)6-13(16)40-24)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2
HMDB37430	Astragalin; 2''-O-b-D-Apiofuranosyl	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C26H28O15/c27-7-15-17(32)19(34)22(41-25-23(35)26(36,8-28)9-37-25)24(39-15)40-21-18(33)16-13(31)5-12(30)6-14(16)38-20(21)10-1-3-11(29)4-2-10/h1-6,15,17,19,22-25,27-32,34-36H,7-9H2
HMDB37437	Astragalin; 6''-O-(4-Hydroxycinnamoyl), 4'-O-b-D-glucopyranoside	OCC1OC(OC2=CC=C(C=C2)C2=C(OC3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O	InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-8-4-16(5-9-19)33-34(28(44)25-20(40)11-18(39)12-21(25)51-33)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+
HMDB37436	Kaempferol 3-(2&quot;,6&quot;-di-(E)-p-coumarylglucoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O	InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)35(49)38(53-31(46)16-6-21-3-11-24(41)12-4-21)39(52-29)54-37-34(48)32-27(44)17-26(43)18-28(32)51-36(37)22-7-13-25(42)14-8-22/h1-18,29,33,35,38-44,47,49H,19H2/b15-5+,16-6+
HMDB37435	Astragalin; 2'',4''-Bis-O-(4-hydroxycinnamoyl)	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C39H32O15/c40-19-29-36(52-30(46)15-5-20-1-9-23(41)10-2-20)34(49)38(53-31(47)16-6-21-3-11-24(42)12-4-21)39(51-29)54-37-33(48)32-27(45)17-26(44)18-28(32)50-35(37)22-7-13-25(43)14-8-22/h1-18,29,34,36,38-45,49H,19H2/b15-5+,16-6+
HMDB37434	6''-Malonylastragalin	OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C1O	InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)
HMDB30429	Linalyl hexanoate	CCCCCC(=O)OC(C)(CCC=C(C)C)C=C	InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3
HMDB30428	Linalyl isovalerate	CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C	InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3
HMDB37439	Populnin; 6''-O-(3,4,5-Trihydroxybenzoyl)	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C1O	InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)26-24(37)22(35)19-14(30)7-13(8-17(19)42-26)41-28-25(38)23(36)21(34)18(43-28)9-40-27(39)11-5-15(31)20(33)16(32)6-11/h1-8,18,21,23,25,28-34,36-38H,9H2
HMDB37438	Kaempferitrin	CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(C)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3
HMDB40835	Cycloaltilisin	COC1=C(O)C=C2C(OC(C=C(C)C)C3=C2OC2=C(CC=C(C)C)C(O)=CC(O)=C2C3=O)=C1	InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-20(31-5)17(28)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3
HMDB40834	O-Ethylcubebin	CCOC1OCC(CC2=CC=C3OCOC3=C2)C1CC1=CC=C2OCOC2=C1	InChI=1S/C22H24O6/c1-2-23-22-17(8-15-4-6-19-21(10-15)28-13-26-19)16(11-24-22)7-14-3-5-18-20(9-14)27-12-25-18/h3-6,9-10,16-17,22H,2,7-8,11-13H2,1H3
HMDB40837	3-O-Methyluralenol	COC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(CC=C(C)C)=C(O)C(O)=C1	InChI=1S/C21H20O7/c1-10(2)4-5-11-6-12(7-15(24)18(11)25)20-21(27-3)19(26)17-14(23)8-13(22)9-16(17)28-20/h4,6-9,22-25H,5H2,1-3H3
HMDB40836	Heteroflavanone B	COC1=CC(OC)=C(C2CC(=O)C3=C(O2)C(CC=C(C)C)=C(OC)C=C3O)C(OC)=C1	InChI=1S/C24H28O7/c1-13(2)7-8-15-18(28-4)11-16(25)22-17(26)12-21(31-24(15)22)23-19(29-5)9-14(27-3)10-20(23)30-6/h7,9-11,21,25H,8,12H2,1-6H3
HMDB40831	Rheinoside C	OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O15/c28-6-13-18(31)21(34)23(36)25(40-13)15-9-2-1-3-12(41-27-24(37)22(35)19(32)14(7-29)42-27)17(9)20(33)16-10(15)4-8(26(38)39)5-11(16)30/h1-5,13-15,18-19,21-25,27-32,34-37H,6-7H2,(H,38,39)
HMDB40830	N-Feruloylaspartic acid	COC1=CC(\C=C\C(=O)NC(CC(O)=O)C(O)=O)=CC=C1O	InChI=1S/C14H15NO7/c1-22-11-6-8(2-4-10(11)16)3-5-12(17)15-9(14(20)21)7-13(18)19/h2-6,9,16H,7H2,1H3,(H,15,17)(H,18,19)(H,20,21)/b5-3+
HMDB40833	3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal	CC(C)=CCC1=CC(\C=C\C=O)=CC=C1O	InChI=1S/C14H16O2/c1-11(2)5-7-13-10-12(4-3-9-15)6-8-14(13)16/h3-6,8-10,16H,7H2,1-2H3/b4-3+
HMDB40832	5-Hydroxyaloin A	OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC(CO)=C2)C(=O)C2=C1C(O)=CC=C2O	InChI=1S/C21H22O10/c22-5-7-3-8-13(11(26)4-7)18(28)16-10(25)2-1-9(24)15(16)14(8)21-20(30)19(29)17(27)12(6-23)31-21/h1-4,12,14,17,19-27,29-30H,5-6H2
HMDB40839	Purpureacin 2	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-19-29(38)16-13-10-9-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
HMDB40838	3',6-Disinapoylsucrose	COC1=CC(\C=C\C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+
HMDB45809	TG(20:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,32,34,37-38,41,43,46,58H,4-8,10-11,13-17,19-20,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB45808	TG(20:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,32,34,37,43,46,58H,4-8,10-11,13-17,19-20,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,21-18-,29-26-,32-27-,37-34-,46-43-
HMDB32489	Prenyl caproate	CCCCCC(=O)OCC=C(C)C	InChI=1S/C11H20O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h8H,4-7,9H2,1-3H3
HMDB32488	Prenyl benzoate	CC(C)=CCOC(=O)C1=CC=CC=C1	InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
HMDB01906	2-Aminoisobutyric acid	CC(C)(N)C(O)=O	InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
HMDB56407	CL(16:0/16:0/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C73H140O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,67-69,74H,5-24,26-28,30-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-/t67?,68-,69-/m1/s1
HMDB01904	3-Nitrotyrosine	N[C@@H](CC1=CC(=C(O)C=C1)[N+]([O-])=O)C(O)=O	InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
HMDB01902	Pteroyltriglutamic acid	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)=CN=C2N1	InChI=1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)
HMDB01903	Calcitriol	C[C@H](CCCC(C)(O)C)[C@H]1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C	InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
HMDB01900	Ribonolactone	OC[C@H]1OC(=O)[C@H](O)[C@@H]1O	InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4-/m1/s1
HMDB01901	Aminocaproic acid	NCCCCCC(O)=O	InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
HMDB01908	19-Hydroxy-PGE2	C[C@@H](O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1
HMDB59334	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,45-52,57-64,69-76,91-93,98H,5-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t92-,93-/m1/s1
HMDB59335	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-28,33-40,45-52,57-64,69-70,72-74,76,91-93,98H,5-10,12-14,16-20,29-32,41-44,53-56,65-68,71,75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,76-72-/t91?,92-,93-/m1/s1
HMDB59336	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-10,12-14,16-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB59337	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,42-47,52-56,58,64,66,68,70,85-87,92H,5-8,10-12,14-20,24,28-32,39-41,48-51,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59330	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)84-104-91(96)78-74-70-66-62-58-54-50-48-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,43-44,47-48,51-58,63-70,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,49-50,59-62,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,55-51-,56-52-,57-53-,58-54-,67-63-,68-64-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB59331	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-9,11-13,15-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59332	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-69,71-72,89-91,96H,5-9,12-13,16-20,29-32,41-43,47,51-52,54,61,63-64,66,70,73-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-/t89?,90-,91-/m1/s1
HMDB59333	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-9,12-13,16-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59338	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,10-12,14-20,24,28-32,36,40-42,49-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59339	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,42-47,52-56,58,64,66,68,70,85-87,92H,5-8,10-12,14-20,24,29-31,39-41,48-51,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB56406	CL(16:0/16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB08778	PC(24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,31,35,37,52H,6-14,16,18-20,22,24-27,29-30,32-34,36,38-51H2,1-5H3/b17-15-,23-21-,31-28-,37-35-/t52-/m1/s1
HMDB08779	PC(24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,31,35,37,41,43,52H,6-14,16,18-20,22,24-27,29-30,32-34,36,38-40,42,44-51H2,1-5H3/b17-15-,23-21-,31-28-,37-35-,43-41-/t52-/m1/s1
HMDB08776	PC(24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H106NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h21,23,52H,6-20,22,24-51H2,1-5H3/b23-21-/t52-/m1/s1
HMDB08777	PC(24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,52H,6-14,16,18-20,22,24-51H2,1-5H3/b17-15-,23-21-/t52-/m1/s1
HMDB08774	PC(24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,31,33,37,39,50H,6-8,10,12-14,16,18-20,22,24-30,32,34-36,38,40-49H2,1-5H3/b11-9-,17-15-,23-21-,33-31-,39-37-/t50-/m1/s1
HMDB08775	PC(24:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C54H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h52H,6-51H2,1-5H3/t52-/m1/s1
HMDB08772	PC(24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,31,33,37,39,50H,6-14,16,18-20,22,24-30,32,34-36,38,40-49H2,1-5H3/b17-15-,23-21-,33-31-,39-37-/t50-/m1/s1
HMDB08773	PC(24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,31,33,50H,6-8,10,12-14,16,18-20,22,24-30,32,34-49H2,1-5H3/b11-9-,17-15-,23-21-,33-31-/t50-/m1/s1
HMDB08770	PC(24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h21,23,31,33,37,39,50H,6-20,22,24-30,32,34-36,38,40-49H2,1-5H3/b23-21-,33-31-,39-37-/t50-/m1/s1
HMDB08771	PC(24:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,31,33,50H,6-14,16,18-20,22,24-30,32,34-49H2,1-5H3/b17-15-,23-21-,33-31-/t50-/m1/s1
HMDB31598	2,3-Pentanedione	CCC(=O)C(C)=O	InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
HMDB31599	2-Pentanol	CCCC(C)O	InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
HMDB31592	Brevifolincarboxylic acid; 9-Sulfate	OC(=O)C1CC(=O)C2=C1C1=C(OS(O)(=O)=O)C(O)=C(O)C=C1C(=O)O2	InChI=1S/C13H8O11S/c14-5-2-4-8(11(9(5)16)24-25(20,21)22)7-3(12(17)18)1-6(15)10(7)23-13(4)19/h2-3,14,16H,1H2,(H,17,18)(H,20,21,22)
HMDB31593	5-Methyl-2,3-hexanedione	CC(C)CC(=O)C(C)=O	InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3
HMDB31590	3-Methyl-3-hepten-2-one	CCC\C=C(/C)C(C)=O	InChI=1S/C8H14O/c1-4-5-6-7(2)8(3)9/h6H,4-5H2,1-3H3/b7-6+
HMDB31591	5-Methyl-5-hepten-2-one	C\C=C(\C)CCC(C)=O	InChI=1S/C8H14O/c1-4-7(2)5-6-8(3)9/h4H,5-6H2,1-3H3/b7-4-
HMDB31596	5-Methylhexanoic acid, 9CI; Me ester	COC(=O)CCCC(C)C	InChI=1S/C8H16O2/c1-7(2)5-4-6-8(9)10-3/h7H,4-6H2,1-3H3
HMDB31597	2,4-Pentadienal	C=C\C=C/C=O	InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-
HMDB31594	2-Methylhexanoic acid	CCCCC(C)C(O)=O	InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
HMDB31595	5-Methylhexanoic acid	CC(C)CCCC(O)=O	InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
HMDB35288	8,14-Labdadiene-6,7,13-triol; (6b,7b,13R)-form, 6,7-Di-Ac	CC(=O)OC1C(OC(C)=O)C(C)=C(CCC(C)(O)C=C)C2(C)CCCC(C)(C)C12	InChI=1S/C24H38O5/c1-9-23(7,27)14-11-18-15(2)19(28-16(3)25)20(29-17(4)26)21-22(5,6)12-10-13-24(18,21)8/h9,19-21,27H,1,10-14H2,2-8H3
HMDB35289	2,5-Dimethylpyrazine	CC1=CN=C(C)C=N1	InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
HMDB35282	Solasodine	CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1	InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3
HMDB35283	1-(3,5-Dihydroxyphenyl)-2-pentadecanone	CCCCCCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1	InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)14-18-15-20(23)17-21(24)16-18/h15-17,23-24H,2-14H2,1H3
HMDB35280	Teresantalol	CC12C3CC(CC13)C2(C)CO	InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3
HMDB35281	2-Acetylpyridine	CC(=O)C1=NC=CC=C1	InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
HMDB35286	Crispanone	C\C=C(\C)C(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@@H](C(C)C)CC(=O)[C@]12C	InChI=1S/C20H30O4/c1-7-14(5)18(22)24-17-10-13(4)8-9-20(23)15(12(2)3)11-16(21)19(17,20)6/h7,10,12,15,17,23H,8-9,11H2,1-6H3/b14-7-/t15-,17-,19-,20+/m1/s1
HMDB35287	Daucol	CC(C)C1CCC2(C)CC(O)C3(C)CCC12O3	InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3
HMDB35284	D-Fructosazine	OCC(O)C(O)C(O)C1=CN=C(C=N1)C(O)C(O)C(O)CO	InChI=1S/C12H20N2O8/c15-3-7(17)11(21)9(19)5-1-13-6(2-14-5)10(20)12(22)8(18)4-16/h1-2,7-12,15-22H,3-4H2
HMDB35285	Ginsenoside I	CC(=C)C(CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C)OO	InChI=1S/C48H82O20/c1-21(2)24(68-61)10-16-48(8,67-42-39(60)36(57)33(54)26(19-50)63-42)22-9-14-47(7)31(22)23(52)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(58)34(55)27(20-51)64-43)66-41-38(59)35(56)32(53)25(18-49)62-41/h22-43,49-61H,1,9-20H2,2-8H3
HMDB56404	CL(16:0/16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB33990	Sissotrin	COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C1=O	InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3
HMDB33991	Daidzin	OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
HMDB36740	(2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one	CCCCC\C=C\C\C=C\CCCCC\C=C\C(=O)\C=C\CO	InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,16-19,22H,2-5,8,11-15,20H2,1H3/b7-6+,10-9+,18-16+,19-17+
HMDB33993	Wairol	COC1=CC2=C(C3=C(O2)C2=CC=C(O)C=C2OC3=O)C(OC)=C1	InChI=1S/C17H12O6/c1-20-9-6-12(21-2)14-13(7-9)22-16-10-4-3-8(18)5-11(10)23-17(19)15(14)16/h3-7,18H,1-2H3
HMDB36746	Matsutakeside I	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1	InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3
HMDB33995	5-(5-Methyl-2-thienyl)-2-penten-4-ynoic acid; (Z)-form, Me ester	COC(=O)\C=C\C#CC1=CC=C(C)S1	InChI=1S/C11H10O2S/c1-9-7-8-10(14-9)5-3-4-6-11(12)13-2/h4,6-8H,1-2H3/b6-4+
HMDB33996	2',7-Dihydroxy-4',6-dimethoxyisoflavan	COC1=CC(O)=C(C=C1)C1COC2=C(C1)C=C(OC)C(O)=C2	InChI=1S/C17H18O5/c1-20-12-3-4-13(14(18)7-12)11-5-10-6-17(21-2)15(19)8-16(10)22-9-11/h3-4,6-8,11,18-19H,5,9H2,1-2H3
HMDB33997	4-O-Caffeoylshikimic acid	OC1CC(=CC(O)C1OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2-
HMDB33998	gamma-Tocopheryl quinone	CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=CC(=O)C(C)=C(C)C1=O	InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7,31)18-16-25-19-26(29)23(5)24(6)27(25)30/h19-22,31H,8-18H2,1-7H3
HMDB33999	Dattelic acid	OC1C=C(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1O)C(O)=O	InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+
HMDB36748	Momilactone A	CC12C3C(OC1=O)C=C1CC(C)(CCC1C3(C)CCC2=O)C=C	InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3
HMDB36749	Momilactone B	CC12C3C(OC1=O)C=C1CC(C)(CCC1C31CCC2(O)OC1)C=C	InChI=1S/C20H26O4/c1-4-17(2)6-5-13-12(10-17)9-14-15-18(3,16(21)24-14)20(22)8-7-19(13,15)11-23-20/h4,9,13-15,22H,1,5-8,10-11H2,2-3H3
HMDB35130	Pinusolide	COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12	InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3
HMDB35131	Heliannuol C	CC1=CC2=C(C=C1O)C(CC(O)C(C)(C)O2)C=C	InChI=1S/C15H20O3/c1-5-10-7-14(17)15(3,4)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3
HMDB35132	Heliannuol B	CC1C=CC(OC2=C1C=C(O)C(C)=C2)C(C)(C)O	InChI=1S/C15H20O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h5-9,14,16-17H,1-4H3
HMDB15489	Testosterone Propionate	[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1
HMDB35134	Armillaridin	COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(C)=C1Cl	InChI=1S/C24H29ClO6/c1-12-19(16(27)7-17(30-5)20(12)25)21(28)31-18-10-23(4)15-9-22(2,3)8-13(15)6-14(11-26)24(18,23)29/h6-7,11,13,15,18,27,29H,8-10H2,1-5H3
HMDB35135	(E)-2,6-Dimethyl-2,5-heptadienoic acid	CC(C)=CC\C=C(/C)C(O)=O	InChI=1S/C9H14O2/c1-7(2)5-4-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H,10,11)/b8-6+
HMDB35136	2,6-Dimethyl-2,5-heptadienoic acid; (E)-form, b-D-Glucopyranosyl ester	CC(C)=CC\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C15H24O7/c1-8(2)5-4-6-9(3)14(20)22-15-13(19)12(18)11(17)10(7-16)21-15/h5-6,10-13,15-19H,4,7H2,1-3H3/b9-6+
HMDB35137	Heliannuol D	CC1CCC(OC2=C1C=C(O)C(C)=C2)C(C)(C)O	InChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3
HMDB35138	1,2-Epoxy-1,2-dihydrolycopene	CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C=C(/C)CCC1OC1(C)C	InChI=1S/C40H56O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-20,22-29,39H,13,21,30-31H2,1-10H3/b12-11+,22-14-,23-15+,27-16+,28-17+,33-19+,34-20+,35-24-,36-25+,37-26-,38-29-
HMDB35139	5,6-Epoxy-5,6-dihydrolycopene	CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1OC1(C)CCC=C(C)C	InChI=1S/C40H56O/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39-40(10,41-39)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39H,13,17,22,31H2,1-10H3/b12-11+,23-14-,24-16+,27-15+,30-29+,34-20+,35-21+,36-25-,37-26+,38-28-
HMDB08198	PC(18:3(9Z,12Z,15Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,39H,6-7,9,11-13,15,17-19,22-38H2,1-5H3/b10-8-,16-14-,21-20-/t39-/m1/s1
HMDB08199	PC(18:3(9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1
HMDB08192	PC(18:3(6Z,9Z,12Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,34,37,41H,6-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b16-14-,22-20-,27-25-,37-34-
HMDB08193	PC(18:3(6Z,9Z,12Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,36,39,43H,6-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,29-27-,39-36-
HMDB08190	PC(18:3(6Z,9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h15,17,21,28,32,34,48H,6-14,16,18-20,22-27,29-31,33,35-47H2,1-5H3/b17-15-,28-21-,34-32-/t48-/m1/s1
HMDB08191	PC(18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h15,17,20-22,28,32,34,48H,6-14,16,18-19,23-27,29-31,33,35-47H2,1-5H3/b17-15-,22-20-,28-21-,34-32-/t48-/m1/s1
HMDB08196	PC(18:3(9Z,12Z,15Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h8,10,14,16,19-20,38H,6-7,9,11-13,15,17-18,21-37H2,1-5H3/b10-8-,16-14-,20-19-/t38-/m1/s1
HMDB08197	PC(18:3(9Z,12Z,15Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h8,10,13-16,19-20,38H,6-7,9,11-12,17-18,21-37H2,1-5H3/b10-8-,15-13-,16-14-,20-19-/t38-/m1/s1
HMDB08194	PC(18:3(6Z,9Z,12Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,27,29,36,39,43H,6-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,29-27-,39-36-
HMDB08195	PC(18:3(6Z,9Z,12Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,36,39,43H,6-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,39-36-
HMDB58067	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,41-43,45,53,57,78-80,85H,5-20,22-24,28-29,32,34-35,39-40,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB58066	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-37,40-42,44,52,56,77-79,84H,5-20,22-24,27-29,31-32,34,38-39,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,40-35-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58065	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37,40,42,44,52,56,77-79,84H,5-20,22-24,27,29,31,34,36,38-39,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,37-33-,40-35-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB50059	TG(18:1(9Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31-33,37,40,46,49,59H,4-6,8-9,11-13,15,18,20-22,24,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB34429	Cyclohexyl pentanoate	CCCCC(=O)OC1CCCCC1	InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
HMDB34428	Cyclohexyl 3-methylbutanoate	CC(C)CC(=O)OC1CCCCC1	InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
HMDB58061	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58060	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,49,53,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB34425	(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide	CCC(C)SSC\C=C\SC	InChI=1S/C8H16S3/c1-4-8(2)11-10-7-5-6-9-3/h5-6,8H,4,7H2,1-3H3/b6-5+
HMDB34424	Spirotaccagenin	CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(O)(CO)CO1	InChI=1S/C27H42O5/c1-16-23-22(32-27(16)11-10-26(30,14-28)15-31-27)13-21-19-5-4-17-12-18(29)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3
HMDB34427	Cyclohexyl butanoate	CCCC(=O)OC1CCCCC1	InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
HMDB34426	(-)-1-Methylpropyl 1-propenyl disulfide	CCC(C)SS\C=C\C	InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+
HMDB34421	delta3,5-Deoxyneotigogenin	[H][C@]1(C)CC[C@]2(O[C@H]3CC4C5CC=C6C=CCC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)OC1	InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18-,20?,21?,22?,23-,24-,25-,26-,27+/m0/s1
HMDB34420	Palmitoylstigmasterol	CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)\C=C\C(CC)C(C)C	InChI=1S/C45H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+
HMDB34423	2-Deoxycastasterone	CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3
HMDB34422	3-Hydroxystigmast-5-en-7-one	CCC(CCC(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O)C(C)C	InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3
HMDB09821	PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09820	PI(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,28-26-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09823	PI(18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,35,38-43,46-50H,3-12,17-34H2,1-2H3,(H,51,52)/b15-13-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09822	PI(18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,35,38-43,46-50H,3-12,14,16-34H2,1-2H3,(H,51,52)/b15-13-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09825	PI(18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37,40-45,48-52H,3-12,14,16-17,19,21-36H2,1-2H3,(H,53,54)/b15-13-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09824	PI(18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40-45,48-52H,3-12,17-36H2,1-2H3,(H,53,54)/b15-13-,16-14-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09827	PI(18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,37,40-45,48-52H,3-11,16-17,19,21-23,25,27-36H2,1-2H3,(H,53,54)/b14-12-,15-13-,20-18-,26-24-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09826	PI(18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,37,40-45,48-52H,3-11,16-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,15-13-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09829	PI(18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42-47,50-54H,3-13,15,18,20-38H2,1-2H3,(H,55,56)/b16-14-,19-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09828	PI(18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,37,40-45,48-52H,3-5,7,9-11,16-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,15-13-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB50050	TG(18:1(9Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31,33,35,41,44,57H,4-13,15,18,20-22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB47496	TG(24:0/22:2(13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,65H,4-14,16,19,21-23,25,28,30-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-
HMDB50051	TG(18:1(9Z)/20:2n6/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,33,59H,4-13,15,18,20-22,24,29-32,34-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-27-
HMDB47497	TG(24:0/22:2(13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,66H,4-16,19,22-25,28,31-39,41-42,44-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-
HMDB47494	TG(24:0/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,39,65H,4-16,18-19,22-23,25,27-28,31-38,40-64H2,1-3H3/b20-17-,24-21-,29-26-,39-30-
HMDB50057	TG(18:1(9Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31,33,35,41,44,57H,4-6,8-9,11-13,15,18,20-22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB51257	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-15,18,21-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB47495	TG(24:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,38,44,47,64H,4-16,19,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b20-17-,21-18-,29-26-,38-27-,47-44-
HMDB15318	Iophendylate	CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I	InChI=1S/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3
HMDB15319	Ciclopirox	CC1=CC(=O)N(O)C(=C1)C1CCCCC1	InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
HMDB15316	Fluoxymesterone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
HMDB15317	Pergolide	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC	InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
HMDB15314	Naloxone	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC=C)[C@]([H])(C4)[C@]1(O)CCC2=O	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
HMDB15315	Domperidone	ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2	InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
HMDB15312	Ifosfamide	ClCCNP1(=O)OCCCN1CCCl	InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)
HMDB15313	Propafenone	CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1	InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
HMDB15310	Podofilox	[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
HMDB15311	Rescinnamine	[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2	InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
HMDB47490	TG(24:0/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,66H,4-16,18-19,21-25,28,31-65H2,1-3H3/b20-17-,29-26-,30-27-
HMDB47491	TG(24:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,40,43,49,52,66H,4-16,18-19,21-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,29-26-,30-27-,43-40-,52-49-
HMDB51256	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,64H,4-15,18,21-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB51255	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37-38,41,43,46-47,50,64H,4-15,18,21-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB39929	2''-O-Acetylrutin	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C(OC(C)=O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3
HMDB39928	2'',3''-Di-O-p-coumaroylafzelin	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O	InChI=1S/C39H32O14/c1-20-33(47)36(51-30(45)16-6-21-2-10-24(40)11-3-21)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-34(48)32-28(44)18-27(43)19-29(32)50-35(37)23-8-14-26(42)15-9-23/h2-20,33,36,38-44,47H,1H3/b16-6+,17-7+
HMDB44613	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,36-33-,45-42-
HMDB39923	4''-O-Acetylmyricitrin	CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(C)=O	InChI=1S/C23H22O13/c1-7-20(34-8(2)24)18(31)19(32)23(33-7)36-22-17(30)15-11(26)5-10(25)6-14(15)35-21(22)9-3-12(27)16(29)13(28)4-9/h3-7,18-20,23,25-29,31-32H,1-2H3
HMDB39922	Eriodictyol 7-(6-trans-p-coumaroylglucoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C(O)=C3)C(O)=C2)C(O)C1O	InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-4-7-18(32)19(33)9-15/h1-11,22,24,27-34,37-39H,12-13H2/b8-3+
HMDB39921	Eriodictyol 7-(6-galloylglucoside)	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C(O)=C3)C(O)=C2)C1O	InChI=1S/C28H26O15/c29-13-2-1-10(3-14(13)30)19-8-16(32)22-15(31)6-12(7-20(22)42-19)41-28-26(38)25(37)24(36)21(43-28)9-40-27(39)11-4-17(33)23(35)18(34)5-11/h1-7,19,21,24-26,28-31,33-38H,8-9H2
HMDB39920	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; D3''-Isomer, 2''x-hydroxy, 3,6,7-tri-Me ether	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC(O)C(C)=C)C(OC)=C(OC)C=C1O2	InChI=1S/C26H30O7/c1-13(2)8-9-15-18(30-5)11-20-23(24(15)28)25(29)22-16(10-17(27)14(3)4)26(32-7)21(31-6)12-19(22)33-20/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3
HMDB39927	4'-O-Methylglucoliquiritigenin	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2	InChI=1S/C22H24O9/c1-28-12-4-2-11(3-5-12)16-9-15(24)14-7-6-13(8-17(14)30-16)29-22-21(27)20(26)19(25)18(10-23)31-22/h2-8,16,18-23,25-27H,9-10H2,1H3
HMDB39926	Lyoniresinol 9'-sulfate	COC1=CC(=CC(OC)=C1O)C1C(COS(O)(=O)=O)C(CO)CC2=C1C(OC)=C(O)C(OC)=C2	InChI=1S/C22H28O11S/c1-29-15-7-12(8-16(30-2)20(15)24)18-14(10-33-34(26,27)28)13(9-23)5-11-6-17(31-3)21(25)22(32-4)19(11)18/h6-8,13-14,18,23-25H,5,9-10H2,1-4H3,(H,26,27,28)
HMDB39925	2'',6''-Di-O-acetylononin	COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(COC(C)=O)C(O)C(O)C3OC(C)=O)=CC=C2C1=O	InChI=1S/C26H26O11/c1-13(27)33-12-21-23(30)24(31)25(35-14(2)28)26(37-21)36-17-8-9-18-20(10-17)34-11-19(22(18)29)15-4-6-16(32-3)7-5-15/h4-11,21,23-26,30-31H,12H2,1-3H3
HMDB39924	3,4',5,6,7-Pentahydroxyflavone; 6,7-Di-O-b-D-glucopyranoside	OCC1OC(OC2=CC3=C(C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(=O)C(O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-12-15(31)19(35)22(38)26(42-12)41-11-5-10-14(17(33)21(37)24(40-10)8-1-3-9(30)4-2-8)18(34)25(11)44-27-23(39)20(36)16(32)13(7-29)43-27/h1-5,12-13,15-16,19-20,22-23,26-32,34-39H,6-7H2
HMDB37198	D-Gluconic acid Mn(II) salt	[Mn++].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O	InChI=1S/2C6H12O7.Mn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
HMDB37199	2-O-Galloyl-1,4-galactarolactone	OC(C1OC(=O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O)C(O)=O	InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10-7(17)9(23-13(10)22)8(18)11(19)20/h1-2,7-10,14-18H,(H,19,20)
HMDB37194	2-Ethyl-3-phenylpropanoic acid; ()-form, Et ester	CCOC(=O)C(CC)CC1=CC=CC=C1	InChI=1S/C13H18O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
HMDB37195	2-Propenyl cyclohexanehexanoate	C=CCOC(=O)CCCCCC1CCCCC1	InChI=1S/C15H26O2/c1-2-13-17-15(16)12-8-4-7-11-14-9-5-3-6-10-14/h2,14H,1,3-13H2
HMDB37196	2-Methyl-3,4-pentadienoic acid; Et ester	CCOC(=O)C(C)C=C=C	InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3
HMDB37197	Kessyl glycol	CC1CC(O)C2C1CC1C(O)CC2(C)OC1(C)C	InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3
HMDB37190	Rhodinyl isovalerate	CC(C)CC(=O)OCCC(C)CCCC(C)=C	InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h13-14H,1,6-11H2,2-5H3
HMDB37191	Rhodinyl phenylacetate	CC(CCCC(C)=C)CCOC(=O)CC1=CC=CC=C1	InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3
HMDB37192	2-(1-Ethoxyethoxy)propanoic acid, 9CI; K salt	[K+].CCOC(C)OC(C)C([O-])=O	InChI=1S/C7H14O4.K/c1-4-10-6(3)11-5(2)7(8)9;/h5-6H,4H2,1-3H3,(H,8,9);/q;+1/p-1
HMDB37193	1-(Methylthio)-2-butanone	CCC(=O)CSC	InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3
HMDB47464	TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,38,41,47,50,62H,4-16,18-19,22-23,25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,24-21-,29-26-,41-38-,50-47-
HMDB54745	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,41-42,44-45,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-40,43,46-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-
HMDB51253	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-37,39-41,44,46,49,62H,4-15,18,21-24,31,33-34,38,42-43,45,47-48,50-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-
HMDB48068	TG(14:1(9Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,57H,4-14,16-17,19-23,25,27-56H2,1-3H3/b18-15-,26-24-
HMDB48069	TG(14:1(9Z)/18:2(9Z,12Z)/14:1(9Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2)46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3/h14-15,17-19,22,24-25,47H,4-13,16,20-21,23,26-46H2,1-3H3/b17-14-,18-15-,22-19-,25-24-
HMDB47463	TG(24:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,36,39,45,48,60H,4-16,18-19,22-23,25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,24-21-,28-26-,39-36-,48-45-
HMDB14045	3-Methoxymorphinan	[H][C@]12CCCC[C@]11CCN[C@H]2CC2=C1C=C(OC)C=C2	InChI=1S/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1
HMDB51252	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,36,39-40,43,45,48,61H,4-14,17,20-23,30-31,33,35,37-38,41-42,44,46-47,49-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-
HMDB48277	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,30,33,48H,4-6,8-9,11-14,17,21-22,26-29,31-32,34-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,33-30-
HMDB42009	rufloxacin	CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3CCSC1=C23)C(O)=O	InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)
HMDB29618	Macrophorin D	CC(O)(CC(O)=O)CC(=O)OCC1=CC(=O)C2(CC3C(=C)CCC4C(C)(C)CCCC34C)OC2C1O	InChI=1S/C28H40O8/c1-16-7-8-19-25(2,3)9-6-10-27(19,5)18(16)12-28-20(29)11-17(23(33)24(28)36-28)15-35-22(32)14-26(4,34)13-21(30)31/h11,18-19,23-24,33-34H,1,6-10,12-15H2,2-5H3,(H,30,31)
HMDB29619	Arabinopyranobiose	OC1COC(OC2C(O)COC(O)C2O)C(O)C1O	InChI=1S/C10H18O9/c11-3-1-18-10(6(14)5(3)13)19-8-4(12)2-17-9(16)7(8)15/h3-16H,1-2H2
HMDB45075	TG(18:0/18:2(9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h20,23,29,34,59H,4-19,21-22,24-28,30-33,35-58H2,1-3H3/b23-20-,34-29-
HMDB45072	TG(18:0/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-
HMDB45073	TG(18:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,22,28,31,55H,4-18,20-21,23-27,29-30,32-54H2,1-3H3/b22-19-,31-28-
HMDB45070	TG(18:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,42,45,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,45-42-
HMDB45071	TG(18:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,45-42-,54-51-
HMDB29610	Ascladiol	OC\C=C1\OC(=O)C(CO)=C1	InChI=1S/C7H8O4/c8-2-1-6-3-5(4-9)7(10)11-6/h1,3,8-9H,2,4H2/b6-1+
HMDB29611	Asparagusic acid	OC(=O)C1CSSC1	InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)
HMDB29612	1,2-Dithiolane-4-carboxylic acid, 9CI; 1-Oxide(cis-)	OC(=O)C1CSS(=O)C1	InChI=1S/C4H6O3S2/c5-4(6)3-1-8-9(7)2-3/h3H,1-2H2,(H,5,6)
HMDB29613	9-Azabicyclo[3.3.1]nonan-3-one	O=C1CC2CCCC(C1)N2	InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2
HMDB29614	()-Conen	CCCCOP(=O)(SCC)SCC1=CC=CC=C1	InChI=1S/C13H21O2PS2/c1-3-5-11-15-16(14,17-4-2)18-12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
HMDB29615	(S)-2-Azetidinecarboxylic acid	OC(=O)C1CCN1	InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
HMDB29616	Diazenedicarboxamide	NC(=O)\N=N\C(N)=O	InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+
HMDB29617	Glucoobtusifolin	COC1=C(OC2OC(CO)C(O)C(O)C2O)C(C)=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O	InChI=1S/C22H22O10/c1-8-6-10-14(17(27)13-9(15(10)25)4-3-5-11(13)24)21(30-2)20(8)32-22-19(29)18(28)16(26)12(7-23)31-22/h3-6,12,16,18-19,22-24,26,28-29H,7H2,1-2H3
HMDB42005	quinaprilat	[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CC2=CC=CC=C2C[C@@]1([H])C(O)=O	InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
HMDB51251	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,38-40,42-44,47,60H,4-15,17,20,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB48276	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H82O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,14-19,23-24,28,31,46H,4-6,8-9,11-13,20-22,25-27,29-30,32-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,31-28-
HMDB42002	pyrene	C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1	InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
HMDB41269	Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, 9CI; (R)-form, O-b-D-Glucopyranoside	CC1(C)COC(=O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C12H20O8/c1-12(2)4-18-10(17)9(12)20-11-8(16)7(15)6(14)5(3-13)19-11/h5-9,11,13-16H,3-4H2,1-2H3
HMDB42003	pyronaridine	COC1=CC=C2NC3=C(C=CC(Cl)=C3)C(N=C3C=C(CN4CCCC4)C(=O)C(CN4CCCC4)=C3)=C2N1	InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,32-33H,2-5,10-13,17-18H2,1H3
HMDB41268	Cascaroside F	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O	InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3
HMDB42000	psilocin	CN(C)CCC1=CNC2=C1C(O)=CC=C2	InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
HMDB42001	pteridine	C1=NC2=CN=CN=C2N=C1	InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
HMDB14597	Meperidine	CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1	InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
HMDB14596	Clomocycline	[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O	InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1
HMDB51250	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-36,39-40,43,45,48,61H,4-15,17-18,20,22-23,27,31,33,37-38,41-42,44,46-47,49-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-
HMDB14593	Droperidol	FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12	InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
HMDB14592	Dipivefrin	CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1	InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3
HMDB14590	Loracarbef	N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1	InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1
HMDB14599	Cefalotin	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C(O)=O	InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
HMDB47460	TG(24:0/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,63H,4-16,18-19,21-25,27-28,30-37,39-40,42-62H2,1-3H3/b20-17-,29-26-,41-38-
HMDB48274	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,32,35,41,44,54H,4-6,9,12-14,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-
HMDB58217	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-20,24,29-31,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB41265	Edulisin VI	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1=CC2=C(O1)C=CC1=C2OC(=O)C=C1	InChI=1S/C20H22O9/c1-20(2,29-19-17(25)16(24)15(23)12(8-21)27-19)13-7-10-11(26-13)5-3-9-4-6-14(22)28-18(9)10/h3-7,12,15-17,19,21,23-25H,8H2,1-2H3
HMDB46937	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-25,28,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,37-34-,46-43-
HMDB41264	p-Menthan-3-ol; (1RS,3RS,4SR)-form, Ac	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O	InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
HMDB42419	TG(14:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,37-34-,46-43-
HMDB42418	TG(14:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,34,37,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,37-34-
HMDB46935	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,33,35,41,44,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-33-,44-41-
HMDB42411	TG(14:0/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,56H,4-15,17-18,20-23,28-55H2,1-3H3/b19-16-,26-24-,27-25-
HMDB42410	TG(14:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,38,41,54H,4-15,17-18,20-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,41-38-
HMDB42413	TG(14:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,34,37,43,46,56H,4-15,17-18,20-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,37-34-,46-43-
HMDB42412	TG(14:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,34,37,56H,4-15,17-18,20-23,28,30,32-33,35-36,38-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,37-34-
HMDB42415	TG(14:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,33,36,52H,4-7,9-10,12-16,18-19,21-23,27,29-32,34-35,37-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,36-33-
HMDB42414	TG(14:0/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,52H,4-7,9-10,12-16,18-19,21-23,27,29-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-
HMDB42417	TG(14:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,41-38-
HMDB42416	TG(14:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,54H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-
HMDB46529	TG(22:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,17-18,20-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,36-27-,42-39-,51-48-
HMDB46528	TG(22:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32,34,36,39,42,62H,4-6,8-9,11-15,17-18,20-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,36-27-,42-39-
HMDB46521	TG(22:0/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,36,62H,4-15,17-18,20-24,26,29-35,37-61H2,1-3H3/b19-16-,28-25-,36-27-
HMDB46520	TG(22:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34-35,37,43,46,60H,4-16,18-19,21-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b20-17-,29-26-,34-27-,37-35-,46-43-
HMDB46523	TG(22:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,39,42,48,51,62H,4-15,17-18,20-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,42-39-,51-48-
HMDB46522	TG(22:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,39,42,62H,4-15,17-18,20-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,42-39-
HMDB46525	TG(22:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,32-33,38,41,58H,4-7,9-10,12-16,18-19,21-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,32-26-,33-27-,41-38-
HMDB46524	TG(22:0/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,32-33,58H,4-7,9-10,12-16,18-19,21-25,28-31,34-57H2,1-3H3/b11-8-,20-17-,32-26-,33-27-
HMDB46527	TG(22:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34-35,37,43,46,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,37-35-,46-43-
HMDB46526	TG(22:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34-35,37,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,36,38-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,37-35-
HMDB51352	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB47302	TG(24:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,37,39,42,48,51,63H,4-20,22-23,25,27-28,31-36,38,40-41,43-47,49-50,52-62H2,1-3H3/b24-21-,29-26-,37-30-,42-39-,51-48-
HMDB07773	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30-31,33,41,44H,3-4,9-10,15-16,20,24,26,29,32,34-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m0/s1
HMDB07772	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,31,33,41,44H,3-4,9-10,15-16,20,24,26,28-30,32,34-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1
HMDB44301	TG(16:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,36,38-39,41,54H,4-6,8-9,11-15,18,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB13067	Salsoline-1-carboxylate	COC1=C(O)C=C2CCN[C@@](C)(C(O)=O)C2=C1	InChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1
HMDB44300	TG(16:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,36,39,54H,4-6,8-9,11-15,18,21-24,28,31,33-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-
HMDB13062	S-(PGA2)-glutathione	CCCCCC(O)\C=C\[C@@H]1C(CC(=O)[C@@H]1C\C=C/CCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-23,25,34H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,13-12+/t19?,20-,21+,22-,23-,25?/m1/s1
HMDB13063	S-(PGJ2)-glutathione	CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C(CC1=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-23,25,34H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,13-12+/t19-,20+,21+,22+,23+,25?/m0/s1
HMDB13060	S-(9-hydroxy-PGA2)-glutathione	CCCCC[C@H](O)\C=C\[C@@H]1C(CC(O)[C@@H]1C\C=C/CCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-25,34-35H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,13-12+/t19-,20+,21-,22+,23+,24?,25?/m0/s1
HMDB13061	S-(PGA1)-glutathione	CCCCCC(O)\C=C\[C@H]1C(CC(=O)C1CCCCCCC(O)=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19?,20?,21-,22+,23+,25?/m1/s1
HMDB44307	TG(16:0/20:2n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,55H,4-13,15-16,18-22,24-25,27-54H2,1-3H3/b17-14-,26-23-
HMDB13068	Salsolinol 1-carboxylate	C[C@@]1(NCCC2=C1C=C(O)C(O)=C2)C(O)=O	InChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1
HMDB44306	TG(16:0/20:2n6/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,53H,4-12,14-15,17-21,23-24,26-52H2,1-3H3/b16-13-,25-22-
HMDB51350	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34-39,44-45,47-48,60H,4-6,8,11,13-15,17,20,22-24,31-33,40-43,46,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB47300	TG(24:0/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,42,45,51,54,66H,4-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b29-26-,30-27-,45-42-,54-51-
HMDB07779	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32-35,43,46H,3-4,6,8-10,15-16,21,23,25,30-31,36-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1
HMDB07778	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,33,35,43,46H,3-4,6,8-10,15-16,21,23,25,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t43-/m0/s1
HMDB58649	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-39,43-49,54-56,58-60,66,68,70,72,87-89,94H,5-9,12-13,16-20,24,28-32,40-42,50-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB54241	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB51356	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-16,18-19,21-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB58648	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-39,43-49,54-56,58-60,66,70,87-89,94H,5-9,12-13,16-20,24,28-32,40-42,50-53,57,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB51357	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,39-40,43,45,48-49,52,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB58647	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-39,43-49,54-56,58-60,66,68,70,72,87-89,94H,5-9,11-13,15-20,24,28-32,40-42,50-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB51354	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-7,9-10,12-16,18-19,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB58646	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,64-65,68,85-87,92H,5-9,11-13,15-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-63,66-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,68-64-/t85?,86-,87-/m1/s1
HMDB04476	Anatabine	C1N[C@@H](CC=C1)C1=CN=CC=C1	InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1
HMDB04472	Eucalyptol	CC12CCC(CC1)C(C)(C)O2	InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
HMDB00509	Senecioic acid	CC(C)=CC(O)=O	InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
HMDB00508	Ribitol	OC[C@H](O)[C@H](O)[C@H](O)CO	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
HMDB14869	Nateglinide	CC(C)C1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16-,17-/m1/s1
HMDB14868	Thiabendazole	N1C2=CC=CC=C2N=C1C1=CSC=N1	InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
HMDB14867	Diphemanil Methylsulfate	COS([O-])(=O)=O.C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
HMDB14866	Rocuronium	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1	InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
HMDB14865	Nitroglycerin	[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O	InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
HMDB14864	Trimipramine	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12	InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3
HMDB14863	Homatropine Methylbromide	[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1	InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1
HMDB14862	Imiquimod	CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N	InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
HMDB14861	Methoxamine	COC1=CC(C(O)C(C)N)=C(OC)C=C1	InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
HMDB00502	3-Oxocholic acid	[H][C@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16+,17+,18+,19-,20-,22+,23+,24-/m1/s1
HMDB58644	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-38,41-46,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB11339	PE(P-16:0/16:1(9Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,29,32,36H,3-13,15,17-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b16-14-,32-29-/t36-/m1/s1
HMDB11330	PC(P-18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h20-23,42,45,49H,6-19,24-41,43-44,46-48H2,1-5H3/b22-20-,23-21-,45-42-/t49-/m1/s1
HMDB57200	CL(18:0/18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB11335	PE(P-16:0/14:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H70NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-32-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h27,30,34H,3-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b30-27-/t34-/m1/s1
HMDB11336	PE(P-16:0/14:1(9Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H68NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-32-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12,27,30,34H,3-9,11,13-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b12-10-,30-27-/t34-/m1/s1
HMDB11337	PE(P-16:0/15:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H72NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37)44-36(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h28,31,35H,3-27,29-30,32-34,37H2,1-2H3,(H,39,40)/b31-28-/t35-/m1/s1
HMDB58642	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-37,40-44,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,38-39,45-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB58529	CL(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB57798	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-38,42-47,52-54,56-58,64,66,68,70,85-87,92H,5-9,11-13,15-20,24,29-31,39-41,48-51,55,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58641	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-35,37-38,41-45,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,36,39-40,46-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB47309	TG(24:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-16,18-19,21-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB54008	TG(20:3n6/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB06833	2-Acetolactate	CC(=O)C(C)(O)C(O)=O	InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)
HMDB06832	S-Glutaryldihydrolipoamide	NC(=O)CCCCC(S)CCSC(=O)CCCC(O)=O	InChI=1S/C13H23NO4S2/c14-11(15)5-2-1-4-10(19)8-9-20-13(18)7-3-6-12(16)17/h10,19H,1-9H2,(H2,14,15)(H,16,17)
HMDB06831	3-Dehydroxycarnitine	C[N+](C)(C)CCCC([O-])=O	InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
HMDB49000	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,39,42,54H,4-6,9,12-15,18,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,42-39-
HMDB49007	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,28-29,33,36,54H,4-6,8-9,11-15,17-18,22,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,29-28-,36-33-
HMDB06836	Tetrahymanol	[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CCCC2(C)C	InChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
HMDB49005	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,9,12-15,18,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB06834	D-Pantothenoyl-L-cysteine	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O	InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1
HMDB06839	24,25-Dihydrolanosterol	[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3	InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
HMDB06838	3-Keto-4-methylzymosterol	C[C@H](CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)C1CC3	InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20?,22?,23?,24?,27-,28+/m1/s1
HMDB32210	N-Cyclopropyl-trans-2-cis-6-nonadienamide	CC\C=C/CC\C=C\C(=O)NC1CC1	InChI=1S/C12H19NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,13,14)/b4-3-,8-7+
HMDB46140	TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,35,38,59H,4-7,9-10,12-14,16,19,21-23,25,28,30-34,36-37,39-58H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,38-35-
HMDB50808	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,45,48,60H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-
HMDB50805	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-8,10-11,13-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB50804	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,32,35,38,40-41,43,47,50,62H,4-8,10-11,13-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB50807	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,32,34,37-38,41,43,46,58H,4-7,10,13-16,19,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB50806	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,32,34,37,43,46,58H,4-7,10,13-16,19,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,46-43-
HMDB50801	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,45,48,60H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-
HMDB50800	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,35,38,44,47,59H,4-7,9-10,12-14,16,19,21-23,30-34,36-37,39-43,45-46,48-58H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,38-35-,47-44-
HMDB50803	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,38,41,47,50,62H,4-8,10-11,13-15,17,20,22-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB50802	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,60H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB32218	(+/-)-Dihydrofarnesol	CC(CCO)CCC=C(C)CCC=C(C)C	InChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,15-16H,5-6,8,10-12H2,1-4H3/b14-9+
HMDB32219	(+/-)-Dihydromintlactone	CC1C2CCC(C)CC2OC1=O	InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3
HMDB04995	Codeine	COC1=C2OC3[C@@H](O)C=CC4C5CC(C=C1)=C2[C@@]34CCN5C	InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11?,12?,13-,17?,18-/m0/s1
HMDB04992	Benzocaine	CCOC(=O)C1=CC=C(N)C=C1	InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
HMDB48468	TG(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,31,36,39,52H,4-15,17-18,21-22,24,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,26-25-,31-28-,39-36-
HMDB04998	Guaifenesin	COC1=CC=CC=C1OCC(O)CO	InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
HMDB04999	Loperamide	CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
HMDB51042	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,30,32,34,40,43,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-
HMDB51043	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,30,32,34,36,39-40,43,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB51040	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB51041	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB51046	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB51047	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB51044	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33-36,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,36-34-,45-42-
HMDB51045	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33-36,41-42,44-45,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB51048	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,32,34,40,43,57H,4-20,22-23,26-27,29-31,33,35-39,41-42,44-56H2,1-3H3/b24-21-,28-25-,34-32-,43-40-
HMDB51049	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32-36,41-42,44-45,58H,4-24,30-31,37-40,43,46-57H2,1-3H3/b28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB53835	TG(20:3n6/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,35-36,38,61H,4-15,18,22-23,27,31-34,37,39-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,38-36-
HMDB55973	DG(14:0/0:0/22:4n6)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,37,40H,3-10,12,14-15,18,21,23,25-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-
HMDB55970	DG(14:0/0:0/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,35,38H,3-10,12,14-15,18,21-34H2,1-2H3/b13-11-,17-16-,20-19-
HMDB55971	DG(14:0/0:0/20:4n6)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,24,26,35,38H,3-10,12,14-15,18,21-23,25,27-34H2,1-2H3/b13-11-,17-16-,20-19-,26-24-
HMDB55976	DG(14:0/0:0/18:4n3)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20,22,33,36H,3-4,6,8-10,12,14-15,18-19,21,23-32H2,1-2H3/b7-5-,13-11-,17-16-,22-20-
HMDB55977	DG(14:0/0:0/20:4n3)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,35,38H,3-4,6,8-10,12,14-15,18,21-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-
HMDB55974	DG(14:0/0:0/22:5n6)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,28,30,37,40H,3-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,30-28-
HMDB55975	DG(14:0/0:0/18:3n3)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,33,36H,3-4,6,8-10,12,14-15,18-32H2,1-2H3/b7-5-,13-11-,17-16-
HMDB55978	DG(14:0/0:0/20:5n3)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,24,26,35,38H,3-4,6,8-10,12,14-15,18,21-23,25,27-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,26-24-
HMDB55979	DG(14:0/0:0/22:5n3)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-
HMDB53834	TG(20:3n6/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,42,45,59H,4-15,18,22-23,27,31-32,38-41,43-44,46-58H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,45-42-
HMDB56775	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1
HMDB56774	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,63,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-62,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-/t83?,84-,85-/m1/s1
HMDB56777	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,62-64,66,68,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-61,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB56776	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43,45-46,48-50,52,57-58,60-62,64,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,44,47,51,53-56,59,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,49-45-,50-46-,52-48-,61-57-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB56771	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40,42,45-46,48,54,58,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,41,43-44,47,49-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-/t77?,78-,79-/m1/s1
HMDB56770	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,62-63,66,83-85,90H,5-9,11-13,15-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-61,64-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-/t83?,84-,85-/m1/s1
HMDB56773	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,63-64,68,83-85,90H,5-8,10-12,14-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-62,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB56772	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43,45-46,48-50,52,57-58,61-62,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,44,47,51,53-56,59-60,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,49-45-,50-46-,52-48-,61-57-,62-58-/t81?,82-,83-/m1/s1
HMDB56779	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,39-42,47-48,51-52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49-50,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56778	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-20,23-24,27-32,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t80-,81-/m1/s1
HMDB03074	Delphinidin	[Cl-].OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H
HMDB03075	Flavone	O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1	InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
HMDB03070	Shikimic acid	O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O	InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
HMDB03071	5,6-Dihydro-5,6-dihydroxy-y,y-carotene	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)CCC(O)C(C)(O)CCC=C(C)C	InChI=1S/C40H60O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-28,39,41-42H,13,17,22,29-31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,34-20+,35-21+,36-25+,37-26+,38-28+
HMDB03072	Quinic acid	OC1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O	InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4?,5-,7+/m1/s1
HMDB03073	Gamma-Linolenic acid	CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
HMDB43353	TG(15:0/22:1(13Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,56H,4-13,15-16,18-22,24,28-55H2,1-3H3/b17-14-,26-23-,27-25-
HMDB43352	TG(15:0/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,36,39,55H,4-16,18-19,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b20-17-,27-25-,31-26-,39-36-
HMDB58763	CL(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h25-32,37-38,41-42,77-79,84H,5-24,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,32-28-,41-37-,42-38-/t78-,79-/m1/s1
HMDB43359	TG(15:0/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-
HMDB43358	TG(15:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,37,40,46,49,59H,4-15,17-18,20-24,29-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-37-,49-46-
HMDB50395	TG(20:1(11Z)/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,62H,4-25,28,31-61H2,1-3H3/b29-26-,30-27-
HMDB50394	TG(20:1(11Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-
HMDB50397	TG(20:1(11Z)/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,64H,4-24,26,29,31-63H2,1-3H3/b28-25-,30-27-
HMDB50396	TG(20:1(11Z)/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,36,39,45,48,62H,4-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b29-26-,30-27-,39-36-,48-45-
HMDB50391	TG(20:1(11Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,46-43-
HMDB50390	TG(20:1(11Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-
HMDB50393	TG(20:1(11Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,43-40-,52-49-
HMDB50392	TG(20:1(11Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,40,43,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,43-40-
HMDB50399	TG(20:1(11Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,35,61H,4-20,22-23,25,27-28,31-34,36-60H2,1-3H3/b24-21-,29-26-,35-30-
HMDB50398	TG(20:1(11Z)/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,66H,4-24,26,29,31-65H2,1-3H3/b28-25-,30-27-
HMDB31189	S-Methyl thioacetate	CSC(C)=O	InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
HMDB31188	Ethanethioic acid	CC(S)=O.CC(O)=S	InChI=1S/2C2H4OS/c2*1-2(3)4/h2*1H3,(H,3,4)
HMDB52514	TG(18:2(9Z,12Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-31,34,37,42,45,55H,4-6,8-9,11-14,17,21-22,25,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-,45-42-
HMDB31923	10,20-Dihydroxyeicosanoic acid	OCCCCCCCCCCC(O)CCCCCCCCC(O)=O	InChI=1S/C20H40O4/c21-18-14-10-6-2-1-3-7-11-15-19(22)16-12-8-4-5-9-13-17-20(23)24/h19,21-22H,1-18H2,(H,23,24)
HMDB31922	1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-1-propanone	CC(C)=CCCC1(C)OC2=C(O)C=CC(CCC(=O)C3=C(O)C=C(O)C=C3)=C2C=C1	InChI=1S/C25H28O5/c1-16(2)5-4-13-25(3)14-12-19-17(7-11-22(28)24(19)30-25)6-10-21(27)20-9-8-18(26)15-23(20)29/h5,7-9,11-12,14-15,26,28-29H,4,6,10,13H2,1-3H3
HMDB31921	Isocorydine; (R)-form, N-De-Me	[H][C@@]12CC3=CC=C(OC)C(O)=C3C3=C1C(CCN2)=CC(OC)=C3OC	InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m1/s1
HMDB31920	9-Hydroxycalabaxanthone	COC1=C(O)C=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C1CC=C(C)C	InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
HMDB31927	Glyurallin B	CC(C)=CCC1=C(O)C(O)=CC(=C1)C1=COC2=C(C(O)=CC(O)=C2CC=C(C)C)C1=O	InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-21(28)23(15)29)18-12-31-25-17(8-6-14(3)4)19(26)11-20(27)22(25)24(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3
HMDB31926	Trilobalicin	CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-13-16-29(37)33-21-22-34(43-33)31(39)19-18-30(38)32-20-17-28(42-32)15-12-10-11-14-27(36)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3
HMDB31925	5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran	CC(C)=CCCC(=O)C1=CC2=C(O1)C=CC(O)=C2	InChI=1S/C15H16O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,16H,3,5H2,1-2H3
HMDB31924	4-Nerolidylcatechol	CC(C)=CCC\C(C)=C\CCC(C)(C=C)C1=CC(O)=C(O)C=C1	InChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+
HMDB50023	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25-28,30-32,34,38,40-41,43,56H,4-17,19-20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB50022	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25-28,30-31,38,41,56H,4-17,19-20,22-24,29,32-37,39-40,42-55H2,1-3H3/b21-18-,28-25-,30-26-,31-27-,41-38-
HMDB31929	Zanthodioline	COC1=CC=CC2=C1N(C)C(=O)C1=C2OC(C)(C)C(O)C1O	InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3
HMDB31928	Panaxytriol	CCCCCCCC(O)C(O)CC#CC#CC(O)C=C	InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3
HMDB50027	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,54H,4-15,17,20,22-24,31-33,35,38,40-53H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB47146	TG(24:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-
HMDB50025	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,25-28,34-35,42,45,60H,4-17,19-20,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b21-18-,28-25-,34-26-,35-27-,45-42-
HMDB50024	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,25-28,32-33,40,43,58H,4-17,19-20,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b21-18-,28-25-,32-26-,33-27-,43-40-
HMDB54739	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,41-42,44-45,64H,4-15,18,21-24,31-32,35,38-40,43,46-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-
HMDB47147	TG(24:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-,57-54-
HMDB54733	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-33,36,38-39,41,58H,4-7,9-10,12-15,18,21-24,29,34-35,37,40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-
HMDB47140	TG(24:0/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-
HMDB54731	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,39-40,42-43,48,51,62H,4-15,18,21-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-
HMDB54730	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,39-40,42-43,62H,4-15,18,21-24,30-31,37-38,41,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-
HMDB54737	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,39-40,42-43,48,51,62H,4-6,8-9,11-15,18,21-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-
HMDB54736	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,39-40,42-43,62H,4-6,8-9,11-15,18,21-24,30-31,37-38,41,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-
HMDB54735	TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-7,9-10,12-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB47141	TG(24:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,54,57,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-,57-54-
HMDB31183	N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide	C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)(C)O	InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
HMDB31182	1H-Indol-3-ylacetyl-myo-inositol	O[C@H]1[C@H](O)[C@@H](O)[C@H](OC(=O)CC2=CNC3=CC=CC=C23)[C@H](O)[C@@H]1O	InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14-,15-,16-/m1/s1
HMDB59238	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-38,42-47,52-56,58,63-64,67-68,85-87,92H,5-10,12-14,16-20,24,29-31,39-41,48-51,57,59-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB59235	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-38,41-45,49-50,52-53,60-61,64-65,82-84,89H,5-20,23-24,29-30,35,39-40,46-48,51,54-59,62-63,66-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-,64-60-,65-61-/t82?,83-,84-/m1/s1
HMDB47144	TG(24:0/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,30-27-,43-40-
HMDB59237	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-20,24,29-31,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59236	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,41-42,44-45,48,50-54,60-62,64-66,83-85,90H,5-20,24,29-31,39-40,43,46-47,49,55-59,63,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB59231	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59230	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,69-70,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB11188	TG(12:0/12:0/12:0)	[H]C(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
HMDB47145	TG(24:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,30-27-,43-40-,52-49-
HMDB59232	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,39-42,47-50,57-58,61-62,79-81,86H,5-20,23-24,29-30,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t80-,81-/m1/s1
HMDB45278	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB01327	Rubidium	[Rb+]	InChI=1S/Rb/q+1
HMDB01324	N'-Hydroxymethylnorcotinine	OCN1[C@@H](CCC1=O)C1=CN=CC=C1	InChI=1S/C10H12N2O2/c13-7-12-9(3-4-10(12)14)8-2-1-5-11-6-8/h1-2,5-6,9,13H,3-4,7H2/t9-/m0/s1
HMDB01325	N6,N6,N6-Trimethyl-L-lysine	C[N+](C)(C)CCCC[C@H](N)C([O-])=O	InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1
HMDB01322	Oleoyl-CoA	CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34?,38-/m1/s1
HMDB01320	(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid	CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1
HMDB01321	D-Erythrose 4-phosphate	O[C@H](COP(O)(O)=O)[C@@H](O)C=O	InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1
HMDB45270	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,39,42,48,51,60H,4-15,17-18,20-24,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,42-39-,51-48-
HMDB45271	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB45272	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33,35,41,44,50,53,62H,4-16,18-19,21-24,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB45273	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,52,55,64H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB45274	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,31-32,34,38,41,47,50,59H,4-15,17-18,21-22,24,26-27,30,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,34-29-,41-38-,50-47-
HMDB45275	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30-32,37-38,40-41,46,49,58H,4-15,18,21-24,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-
HMDB01328	dTDP-D-glucose	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O	InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15?/m0/s1
HMDB01329	2'-Hydroxynicotine	CN1CCCC1(O)C1=CN=CC=C1	InChI=1S/C10H14N2O/c1-12-7-3-5-10(12,13)9-4-2-6-11-8-9/h2,4,6,8,13H,3,5,7H2,1H3
HMDB48019	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30-33,38-39,41-42,54H,4-6,8-9,11-14,17,20-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB48018	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30-33,39,42,54H,4-6,8-9,11-14,17,20-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB48013	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,33,35,41,44,56H,4-14,17,20-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,35-33-,44-41-
HMDB48012	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30-33,38-39,41-42,54H,4-14,17,20-23,28-29,34-37,40,43-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB48011	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30-33,39,42,54H,4-14,17,20-23,28-29,34-38,40-41,43-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB48010	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,30,32,38,41,53H,4-13,16,19-22,27-29,31,33-37,39-40,42-52H2,1-3H3/b17-14-,18-15-,25-23-,26-24-,32-30-,41-38-
HMDB48017	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-29,31,33,36-37,40,52H,4-7,9-10,12-14,16,19,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB11181	Brassicasterol	CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
HMDB48015	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,33-35,37,41,43-44,46,56H,4-14,17,20-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB48014	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,33-35,37,41,44,56H,4-14,17,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB09669	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,47H,3-4,6,8-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1
HMDB09668	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,47H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1
HMDB43308	TG(15:0/20:3(5Z,8Z,11Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h25-26,28-29,35,38,50H,4-24,27,30-34,36-37,39-49H2,1-3H3/b26-25-,29-28-,38-35-
HMDB43309	TG(15:0/20:3(5Z,8Z,11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h25-26,28,30,36,39,51H,4-24,27,29,31-35,37-38,40-50H2,1-3H3/b26-25-,30-28-,39-36-
HMDB09663	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32,34,45H,3-4,6,8-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1
HMDB09662	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,45H,3-4,6,8-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t45-/m1/s1
HMDB09661	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,26-29,32,34,45H,3-4,6,8-10,12,14-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1
HMDB09660	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,45H,3-4,6,8-10,15-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1
HMDB09667	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,47H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1
HMDB09666	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,47H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,25-23-,31-29-/t47-/m1/s1
HMDB09665	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32,34,45H,3-4,9-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1
HMDB09664	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,45H,3-4,9-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t45-/m1/s1
HMDB46205	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,50,53,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-,53-50-
HMDB40578	4-Thiocyanatophenol	OC1=CC=C(SC#N)C=C1	InChI=1S/C7H5NOS/c8-5-10-7-3-1-6(9)2-4-7/h1-4,9H
HMDB40579	Isopropyl formate	CC(C)OC=O	InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
HMDB40574	Urea phosphate salt	NC(N)=O.OP(O)(O)=O	InChI=1S/CH4N2O.H3O4P/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)
HMDB40575	Butyl formate	CCCCOC=O	InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
HMDB40576	2-(Methylthio)propane	CSC(C)C	InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3
HMDB40577	Cinnamyl formate	O=COC\C=C/C1=CC=CC=C1	InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4-
HMDB40570	2-O-p-Coumaroylhydroxycitric acid	OC(=O)CC(O)(C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C15H14O10/c16-9-4-1-8(2-5-9)3-6-11(19)25-12(13(20)21)15(24,14(22)23)7-10(17)18/h1-6,12,16,24H,7H2,(H,17,18)(H,20,21)(H,22,23)/b6-3+
HMDB40571	2-O-Feruloylhydroxycitric acid	COC1=C(O)C=CC(\C=C\C(=O)OC(C(O)=O)C(O)(CC(O)=O)C(O)=O)=C1	InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+
HMDB40572	2-O-Caffeoylhydroxycitric acid	OC(=O)CC(O)(C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+
HMDB40573	Tetraacetylethylenediamine	CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O	InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3
HMDB51815	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-
HMDB51814	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,39,42,48,51,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-
HMDB51817	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,46,49,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-,49-46-
HMDB51816	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,44,47,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,47-44-
HMDB51811	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,37,60H,4-7,10,13-16,19,22-24,30-33,36,38-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-
HMDB51810	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,32-33,38,41,58H,4-7,10,13-16,19,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-
HMDB51813	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,39,42,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-
HMDB51812	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,37,43,46,60H,4-7,10,13-16,19,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB47069	TG(24:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,42,48,51,62H,4-16,18-19,21-25,27,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b20-17-,28-26-,35-33-,42-40-,51-48-
HMDB51819	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,32-33,38,40-41,43,58H,4-8,10-11,13-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-
HMDB51818	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,33-34,41,44,59H,4-8,10-11,13-17,19,22,24,26,30-32,35-40,42-43,45-58H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-,34-29-,44-41-
HMDB43647	TG(15:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,33,36,55H,4-7,9-10,12-15,18,21-24,28,32,34-35,37-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-
HMDB43646	TG(15:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,55H,4-7,9-10,12-15,18,21-24,28-30,32-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-
HMDB43645	TG(15:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,37,40,53H,4-7,9-10,12-15,18,21-24,28,32-36,38-39,41-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,31-30-,40-37-
HMDB43644	TG(15:0/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,53H,4-7,9-10,12-15,18,21-24,28,32-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,31-30-
HMDB43643	TG(15:0/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,52H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-51H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-
HMDB43642	TG(15:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,35,51H,4-7,9-10,12-15,18,21-24,29-31,33-34,36-50H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-32-
HMDB35710	Cafestol	CC12CCC3=C(C=CO3)C1CCC13CC(CCC21)C(O)(CO)C3	InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3
HMDB35711	Panasinsanol A	CC1(C)CC23[C@H]1CC[C@@]2(C)CCC[C@@]3(C)O	InChI=1S/C15H26O/c1-12(2)10-15-11(12)6-9-13(15,3)7-5-8-14(15,4)16/h11,16H,5-10H2,1-4H3/t11-,13+,14+,15?/m0/s1
HMDB35712	Aloesol	CC(O)CC1=CC(=O)C2=C(C)C=C(O)C=C2O1	InChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3
HMDB35713	Ambolic acid	CC(CCC(=C)C(C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)
HMDB35714	Epoxyartemisia ketone	CC(C)(C=C)C(=O)C1OC1(C)C	InChI=1S/C10H16O2/c1-6-9(2,3)7(11)8-10(4,5)12-8/h6,8H,1H2,2-5H3
HMDB35715	Tanacetin	CC12CCC3C(OC(=O)C3=C)C1(O)C(=C)CCC2O	InChI=1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3
HMDB35716	Dihydroasparagusic acid	OC(=O)C(CS)CS	InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)
HMDB35717	3-Mercapto-2-(mercaptomethyl)propanoic acid, 9CI; S-Ac	CC(=O)SCC(CS)C(O)=O	InChI=1S/C6H10O3S2/c1-4(7)11-3-5(2-10)6(8)9/h5,10H,2-3H2,1H3,(H,8,9)
HMDB35718	Isocyperol	CC(=C)C1CCC2(C)CCC(O)C(=C)C2C1	InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3
HMDB35719	3,7-Dihydroxy-11,15,23-trioxolanost-8-en-26-oic acid; (3b,7b)-form	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)
HMDB43640	TG(15:0/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-
HMDB33385	C.I. Acid Violet 49	CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O	InChI=1S/C39H41N3O6S2/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48)
HMDB33384	C.I. Direct Red 45	CC1=C(C2=C(C=C1)N=C(S2)C1=CC=C(C=C1)\N=N\C1=C(O)C2=C(C=CC=C2)C(=C1)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C24H17N3O7S3/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28/h2-12,28H,1H3,(H,29,30,31)(H,32,33,34)/b27-26+
HMDB33386	3-Phenylpropyl acetate	CC(=O)OCCCC1=CC=CC=C1	InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
HMDB33381	5-Amino-4-hydroxy-3-(phenylazo)-2,7-naphthalenedisulfonic acid	NC1=CC(=CC2=C1C(O)=C(\N=N\C1=CC=CC=C1)C(=C2)S(O)(=O)=O)S(O)(=O)=O.NC1=CC(=CC2=C1C(=O)\C(=N\NC1=CC=CC=C1)C(=C2)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/2C16H13N3O7S2/c2*17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26);1-8,18H,17H2,(H,21,22,23)(H,24,25,26)/b19-18+;19-15+
HMDB33380	3-Methylbutyl benzoate	CC(C)CCOC(=O)C1=CC=CC=C1	InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
HMDB33383	C.I. Food Red 1	CC1=CC(C)=C(C=C1\N=N\C1=C(O)C2=C(C=CC=C2)C(=C1)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C18H16N2O7S2/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+
HMDB33382	2-(4-Methylphenyl)propanal	CC(C=O)C1=CC=C(C)C=C1	InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3
HMDB41191	Hydrojuglone glucoside	OCC1OC(OC2=CC=CC3=C(O)C=CC(O)=C23)C(O)C(O)C1O	InChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-22H,6H2
HMDB41190	Benzyl beta-primeveroside	OC1COC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2
HMDB41193	Kanzonol P	COC1=CC2=C(C3OC4=C(C=CC(O)=C4)C3CO2)C(OC)=C1CC=C(C)C	InChI=1S/C22H24O5/c1-12(2)5-7-15-17(24-3)10-19-20(21(15)25-4)22-16(11-26-19)14-8-6-13(23)9-18(14)27-22/h5-6,8-10,16,22-23H,7,11H2,1-4H3
HMDB41192	Kanzonol Q	COC1=C2C=CC(=O)OC2=CC2=C1CCC(C)(C)O2	InChI=1S/C15H16O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-5,8H,6-7H2,1-3H3
HMDB33389	C.I. Food Black 1	CC(=O)NC1=CC=C(C2=CC(=C(\N=N\C3=C4C=C(C=CC4=C(C=C3)\N=N\C3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C28H21N5O14S4/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b31-30+,33-32+
HMDB33388	Ammonium benzoate	[NH4+].[O-]C(=O)C1=CC=CC=C1	InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3
HMDB41197	Edulisin III	CCC(C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(C)=O	InChI=1S/C21H24O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3
HMDB41196	Edulisin IV	CCC(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(C)=O	InChI=1S/C19H20O7/c1-5-13(21)24-17-15-12(23-18(17)19(3,4)26-10(2)20)8-6-11-7-9-14(22)25-16(11)15/h6-9,17-18H,5H2,1-4H3
HMDB44875	TG(18:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,33,36,54H,4-14,17,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,36-33-
HMDB55056	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-
HMDB44874	TG(18:0/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,54H,4-14,17,20-23,25,27-53H2,1-3H3/b18-15-,19-16-,26-24-
HMDB47143	TG(24:0/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,44,47,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,38-27-,47-44-
HMDB44877	TG(18:0/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,50H,4-6,8-9,11-14,17,20-23,25,27-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-
HMDB55050	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33-36,40-41,43-44,50,53,63H,4-6,8-9,11-14,21-23,30-32,37-39,42,45-49,51-52,54-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,53-50-
HMDB44651	TG(16:0/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,33,39,42,55H,4-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b27-25-,33-30-,42-39-
HMDB44650	TG(16:0/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-
HMDB44653	TG(16:0/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-58-59(57-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-
HMDB44652	TG(16:0/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB44655	TG(16:0/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,53H,4-16,18-19,21-25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,28-26-,37-34-
HMDB43649	TG(15:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,51H,4-6,9,12-15,18,21-24,29-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-
HMDB44657	TG(16:0/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,55H,4-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b19-16-,27-25-,33-30-
HMDB44656	TG(16:0/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,54H,4-12,14-15,17-21,23-24,26-53H2,1-3H3/b16-13-,25-22-
HMDB44659	TG(16:0/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-
HMDB44658	TG(16:0/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,39,42,55H,4-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,33-30-,42-39-
HMDB43648	TG(15:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,33,36,42,45,55H,4-7,9-10,12-15,18,21-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,45-42-
HMDB44870	TG(18:0/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,31,33,50H,4-14,17,20-23,25,27-30,32,34-49H2,1-3H3/b18-15-,19-16-,26-24-,33-31-
HMDB33659	Dihydrohydroxy-O-methylsterigmatocystin	COC1=CC2=C(C3CC(O)OC3O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2	InChI=1S/C19H16O7/c1-22-9-4-3-5-10-15(9)17(21)16-11(23-2)7-12-14(18(16)24-10)8-6-13(20)26-19(8)25-12/h3-5,7-8,13,19-20H,6H2,1-2H3
HMDB33658	De-O-methyldihydrosterigmatocystin	OC1=CC2=C(C3CCOC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2	InChI=1S/C17H12O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-3,6-7,17-19H,4-5H2
HMDB44873	TG(18:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,36,39,52H,4-14,17,20-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,39-36-
HMDB33653	1-alpha-Acevaltrate	CC(C)CC(=O)OC1C=C2C(C(OC(=O)C(OC(C)=O)C(C)C)OC=C2COC(C)=O)C11CO1	InChI=1S/C24H32O10/c1-12(2)7-19(27)33-18-8-17-16(9-29-14(5)25)10-30-23(20(17)24(18)11-31-24)34-22(28)21(13(3)4)32-15(6)26/h8,10,12-13,18,20-21,23H,7,9,11H2,1-6H3
HMDB33652	Prunin 4'',6''-di-O-gallate	OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC1OC1=CC2=C(C(=O)CC(O2)C2=CC=C(O)C=C2)C(O)=C1	InChI=1S/C35H30O18/c36-16-3-1-13(2-4-16)24-11-19(38)27-18(37)9-17(10-25(27)51-24)50-35-31(46)30(45)32(53-34(48)15-7-22(41)29(44)23(42)8-15)26(52-35)12-49-33(47)14-5-20(39)28(43)21(40)6-14/h1-10,24,26,30-32,35-37,39-46H,11-12H2
HMDB33651	Genistein 4'-rhamnoside	CC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	InChI=1S/C21H20O9/c1-9-17(24)19(26)20(27)21(29-9)30-12-4-2-10(3-5-12)13-8-28-15-7-11(22)6-14(23)16(15)18(13)25/h2-9,17,19-24,26-27H,1H3
HMDB33650	Estragonoside	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(OC1OC(C)C(O)C(O)C1O)=C(O)C(O)=C2O	InChI=1S/C22H22O12/c1-7-14(25)16(27)19(30)22(32-7)34-21-18(29)17(28)15(26)13-10(24)6-11(33-20(13)21)8-3-4-9(23)12(5-8)31-2/h3-7,14,16,19,22-23,25-30H,1-2H3
HMDB33657	De-O-methylsterigmatocystin	OC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2	InChI=1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H
HMDB33656	Mulberrofuran A	COC1=CC(O)=CC(C2=CC3=C(O2)C=C(O)C=C3)=C1C\C=C(/C)CCC=C(C)C	InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+
HMDB33655	Valtrate; 7,11-Bisdeacyl, 7-O-(3-methylpentanoyl), 11-O-(3-hydroxy-3-methylbutanoyl)	CCC(C)CC(=O)OC1C=C2C(C(OC(=O)CC(C)C)OC=C2COC(=O)CC(C)(C)O)C11CO1	InChI=1S/C26H38O9/c1-7-16(4)9-21(28)34-19-10-18-17(12-31-22(29)11-25(5,6)30)13-32-24(23(18)26(19)14-33-26)35-20(27)8-15(2)3/h10,13,15-16,19,23-24,30H,7-9,11-12,14H2,1-6H3
HMDB33654	Valtrate; 11-De-Ac, 11-O-(3-hydroxy-3-methylbutanoyl)	CC(C)CC(=O)OC1C=C2C(C(OC(=O)CC(C)C)OC=C2COC(=O)CC(C)(C)O)C11CO1	InChI=1S/C25H36O9/c1-14(2)7-19(26)33-18-9-17-16(11-30-21(28)10-24(5,6)29)12-31-23(22(17)25(18)13-32-25)34-20(27)8-15(3)4/h9,12,14-15,18,22-23,29H,7-8,10-11,13H2,1-6H3
HMDB41229	3-Hydroxy-8-oxo-6-eremophilen-12-oic acid; (3b,11x)-form, Me ester	COC(=O)C(C)C1=CC2(C)C(C)C(O)CCC2CC1=O	InChI=1S/C16H24O4/c1-9(15(19)20-4)12-8-16(3)10(2)13(17)6-5-11(16)7-14(12)18/h8-11,13,17H,5-7H2,1-4H3
HMDB41228	3,6,8,9-Tetrahydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8bOH,9b,10b)-form, 6-Angeloyl	C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2(O)C(O)C2CCC(O)C(C)C12C	InChI=1S/C20H28O7/c1-6-9(2)17(23)26-16-14-10(3)18(24)27-20(14,25)15(22)12-7-8-13(21)11(4)19(12,16)5/h6,11-13,15-16,21-22,25H,7-8H2,1-5H3/b9-6+
HMDB41227	(8betaOH,10beta)-8-Hydroxy-3-oxo-7(11)-eremophilen-12,8-olide	CC1C(=O)CCC2CC3(O)OC(=O)C(C)=C3CC12C	InChI=1S/C15H20O4/c1-8-11-7-14(3)9(2)12(16)5-4-10(14)6-15(11,18)19-13(8)17/h9-10,18H,4-7H2,1-3H3
HMDB41226	3,6,9-Trihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8b,9a,10b)-form, 6-Angeloyl	C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2C(O)C2CCC(O)C(C)C12C	InChI=1S/C20H28O6/c1-6-9(2)18(23)26-17-14-10(3)19(24)25-16(14)15(22)12-7-8-13(21)11(4)20(12,17)5/h6,11-13,15-17,21-22H,7-8H2,1-5H3/b9-6+
HMDB41225	b-D-Xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-D-fucose	CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C17H30O13/c1-4-7(19)9(21)14(15(25)27-4)30-17-12(24)10(22)13(5(2)28-17)29-16-11(23)8(20)6(18)3-26-16/h4-25H,3H2,1-2H3
HMDB41224	beta-D-Galactopyranosyl-(1-&gt;4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-&gt;6)-D-mannose	NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OCC1OC(O)C(O)C(O)C1O	InChI=1S/C18H33NO15/c19-7-10(24)15(34-18-14(28)12(26)8(22)4(1-20)32-18)5(2-21)33-17(7)30-3-6-9(23)11(25)13(27)16(29)31-6/h4-18,20-29H,1-3,19H2
HMDB41223	a-L-Arabinofuranosyl-(1-&gt;3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose	OCC1OC(OCC2OC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C1O	InChI=1S/C15H26O13/c16-1-4-7(18)9(20)14(26-4)24-3-6-12(11(22)13(23)25-6)28-15-10(21)8(19)5(2-17)27-15/h4-23H,1-3H2
HMDB41222	a-L-Fucopyranosyl-(1-&gt;2)-b-D-galactopyranosyl-(1-&gt;2)-D-xylose	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)OCC(O)C2O)C(O)C(O)C1O	InChI=1S/C17H30O14/c1-4-7(20)10(23)12(25)16(28-4)31-14-11(24)9(22)6(2-18)29-17(14)30-13-8(21)5(19)3-27-15(13)26/h4-26H,2-3H2,1H3
HMDB41221	b-D-Xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-L-arabinose	CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C16H28O13/c1-4-12(28-15-10(22)7(19)5(17)3-26-15)9(21)11(23)16(27-4)29-13-8(20)6(18)2-25-14(13)24/h4-24H,2-3H2,1H3
HMDB41220	Dibutyl decanedioate	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
HMDB34393	Ixocarpalactone A	CC1C(C)C(=O)OC1C(O)C(C)(O)C1C(O)CC2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3
HMDB34392	Perulactone	CC1C(CC(O)C(C)(O)C2CCC3C4CC=C5CC(O)CC(OC(C)=O)C5(C)C4CCC23C)COC1=O	InChI=1S/C30H46O7/c1-16-18(15-36-27(16)34)12-25(33)30(5,35)24-9-8-22-21-7-6-19-13-20(32)14-26(37-17(2)31)29(19,4)23(21)10-11-28(22,24)3/h6,16,18,20-26,32-33,35H,7-15H2,1-5H3
HMDB34391	Agavoside A	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C33H52O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-24,26-30,34,36-38H,5-15H2,1-4H3
HMDB34390	Silenoside C	CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C70H110O37/c1-24-36(77)43(84)53(105-61-54(104-59-46(87)41(82)39(80)30(19-71)98-59)48(89)50(25(2)97-61)101-57-44(85)37(78)28(74)21-94-57)62(96-24)107-64(93)70-16-15-65(3,4)17-27(70)26-9-10-33-66(5)13-12-35(67(6,23-73)32(66)11-14-68(33,7)69(26,8)18-34(70)76)100-63-55(106-60-47(88)42(83)40(81)31(20-72)99-60)51(49(90)52(103-63)56(91)92)102-58-45(86)38(79)29(75)22-95-58/h9,23-25,27-55,57-63,71-72,74-90H,10-22H2,1-8H3,(H,91,92)
HMDB34397	Vinaginsenoside R16	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-41-38(58)35(55)33(53)26(19-48)60-41)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-42-39(36(56)34(54)27(20-49)61-42)63-40-37(57)32(52)25(51)21-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3
HMDB34396	Kaempferol 3-gentiobioside 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3
HMDB34395	2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide	C=CCSS\C=C/CS(=O)(=O)CC=C	InChI=1S/C9H14O2S3/c1-3-6-12-13-7-5-9-14(10,11)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-
HMDB34394	S-Propyl 1-propanesulfinothioate	CCCSS(=O)CCC	InChI=1S/C6H14OS2/c1-3-5-8-9(7)6-4-2/h3-6H2,1-2H3
HMDB47108	TG(24:0/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,66H,4-25,27-28,30-65H2,1-3H3/b29-26-
HMDB44879	TG(18:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,52H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-
HMDB34399	5alpha-Cholest-7-en-3-one	CC(C)CCCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3
HMDB34398	Vinaginsenoside R17	CC(C)=CCCC(C)(OC1OCC(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-40-37(57)32(52)25(51)21-59-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-42-39(36(56)34(54)27(20-49)61-42)63-41-38(58)35(55)33(53)26(19-48)60-41/h10,23-42,48-58H,9,11-21H2,1-8H3
HMDB44878	TG(18:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,31,33,50H,4-6,8-9,11-14,17,20-23,25,27-30,32,34-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,33-31-
HMDB42558	TG(14:0/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h13,16-17,20,22,24-25,27,33,36,51H,4-12,14-15,18-19,21,23,26,28-32,34-35,37-50H2,1-3H3/b16-13-,20-17-,24-22-,27-25-,36-33-
HMDB42559	TG(14:0/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,34,37,52H,4-15,18,21-23,27,31-33,35-36,38-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,30-29-,37-34-
HMDB42550	TG(14:0/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,19-20,22,25,27,32,35,50H,4-16,18,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b20-17-,22-19-,27-25-,35-32-
HMDB42551	TG(14:0/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,35,50H,4-16,18-19,21-23,28-31,33-34,36-49H2,1-3H3/b20-17-,26-24-,27-25-,35-32-
HMDB42552	TG(14:0/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28,34,37,52H,4-16,18-19,21-23,27,29-33,35-36,38-51H2,1-3H3/b20-17-,26-24-,28-25-,37-34-
HMDB42553	TG(14:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-30,34,36-37,39,52H,4-16,18-19,21-23,27,31-33,35,38,40-51H2,1-3H3/b20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB42554	TG(14:0/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,36,39,54H,4-16,18-19,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b20-17-,26-24-,30-25-,39-36-
HMDB42555	TG(14:0/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h17,20,24-26,32,38,41,56H,4-16,18-19,21-23,27-31,33-37,39-40,42-55H2,1-3H3/b20-17-,26-24-,32-25-,41-38-
HMDB42556	TG(14:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h17,19-20,22,25-28,33,36,51H,4-16,18,21,23-24,29-32,34-35,37-50H2,1-3H3/b20-17-,22-19-,27-25-,28-26-,36-33-
HMDB42557	TG(14:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31-32,34-35,50H,4-15,18,21-23,28-30,33,36-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-31-,35-32-
HMDB48678	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,30,33,39,42,54H,4-19,22,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b23-20-,24-21-,27-25-,33-30-,42-39-
HMDB53979	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,34,37-38,41,43,46,64H,4-7,9-10,12-15,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB47063	TG(24:0/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,38,41,58H,4-16,18-19,21-25,27-32,34-37,39-40,42-57H2,1-3H3/b20-17-,33-26-,41-38-
HMDB47062	TG(24:0/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-34-28-26-23-20-17-14-11-8-5-2/h20,23,28,34,59H,4-19,21-22,24-27,29-33,35-58H2,1-3H3/b23-20-,34-28-
HMDB58874	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,66-67,71,86-88,93H,5-8,10-12,14-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-65,68-70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-,71-67-/t86?,87-,88-/m1/s1
HMDB42888	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,29-30,34,37,55H,4-6,8-9,11-13,15,18,20-22,27-28,31-33,35-36,38-54H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,30-29-,37-34-
HMDB42889	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB42886	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-31,34,37,55H,4-6,8-9,11-15,17-18,21-22,25,28,32-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-
HMDB42887	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,35-36,38,54H,4-6,8-9,11-15,18,21-23,27,31-32,34,37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-
HMDB42884	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,31,33,37,40,58H,4-7,9-10,12-16,18-19,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,33-31-,40-37-
HMDB42885	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,35,39,42,60H,4-7,9-10,12-16,18-19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-32-,42-39-
HMDB42882	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,35,38,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,38-35-
HMDB42883	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31-32,34-35,38,40,43,56H,4-6,8-9,11-15,17-18,20-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB42880	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-
HMDB42881	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,33,36,54H,4-6,8-9,11-15,17-18,20-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,36-33-
HMDB47061	TG(24:0/16:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,64H,4-24,26,28-63H2,1-3H3/b27-25-
HMDB32528	alpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene)	CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1	InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
HMDB32529	Thaumatin b, recombinant	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)C1CCCCCC1	InChI=1S/C19H29N3O3S/c1-16(23)20-17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,20,23)
HMDB39718	Samarangenin B	OC1=CC(O)=C2C3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C(O)=CC(=C1)C(=O)OC1CC2=C(O)C=C(O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H32O22/c45-15-7-19(47)30-27(8-15)62-41-17-9-26(54)36(58)37(59)40(17)63-28-6-14(5-25(53)35(28)57)43(60)64-29-10-16-18(46)11-20(48)31(39(16)65-38(29)12-1-21(49)33(55)22(50)2-12)32(30)42(41)66-44(61)13-3-23(51)34(56)24(52)4-13/h1-9,11,29,32,38,41-42,45-59H,10H2
HMDB39719	Assamicain A	OC1=CC(O)=C(CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC(O)=C(O)C(O)=C2)C2=C3OC(C(CC3=C(O)C=C2O)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1	InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(64-43(62)16-5-29(54)39(60)30(55)6-16)35(14-1-25(50)37(58)26(51)2-14)36-24(49)13-23(48)20-12-34(65-44(63)17-7-31(56)40(61)32(57)8-17)41(66-42(20)36)15-3-27(52)38(59)28(53)4-15/h1-10,13,33-35,41,45-61H,11-12H2
HMDB32522	Stearyl monoglyceridyl citrate	OCC(O)CO.OC(=O)CC(O)(CC(O)=O)CC(O)=O.CCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C18H36O2.C7H10O7.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4(9)1-7(14,2-5(10)11)3-6(12)13;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);14H,1-3H2,(H,8,9)(H,10,11)(H,12,13);3-6H,1-2H2
HMDB39715	Auberganol	CC1C(O)CCC2(C)CCC(CC12)C(C)(C)O	InChI=1S/C15H28O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h10-13,16-17H,5-9H2,1-4H3
HMDB39716	12alpha-12-Hydroxy-7,13-abietadien-18-oic acid	CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1O	InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)
HMDB32521	Stearyl citrate	CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(O)=O)C(O)=O	InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h30H,2-20H2,1H3,(H,25,26)(H,28,29)
HMDB32526	(Z)-8-Tetradecenal	CCCCC=CCCCCCCCC=O	InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,14H,2-4,7-13H2,1H3/b6-5+
HMDB32527	1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone	CC(=O)C1(C)CC2(O)OC(C)(OC2(C)O1)C(C)=O	InChI=1S/C12H18O6/c1-7(13)9(3)6-12(15)11(5,16-9)17-10(4,18-12)8(2)14/h15H,6H2,1-5H3
HMDB32524	Terpinyl isobutyrate	CC(C)C(=O)OC(C)(C)C1CCC(C)=CC1	InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3
HMDB39713	(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one	CCC(C(C)C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3
HMDB38049	3',4',5,7-Tetrahydroxyisoflavone; 4'-Me ether, 3'-O-b-D-glucopyranoside	COC1=CC=C(C=C1OC1OC(CO)C(O)C(O)C1O)C1=COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C22H22O11/c1-30-13-3-2-9(11-8-31-15-6-10(24)5-12(25)17(15)18(11)26)4-14(13)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3
HMDB38048	4',5,7-Trihydroxyflavanone; (S)-form, 7-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	CC1OC(OCC2OC(OC3=CC4=C(C(=O)CC(O4)C4=CC=C(O)C=C4)C(O)=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H42O18/c1-11-22(37)25(40)28(43)31(46-11)45-10-20-24(39)27(42)30(51-32-29(44)26(41)23(38)12(2)47-32)33(50-20)48-15-7-16(35)21-17(36)9-18(49-19(21)8-15)13-3-5-14(34)6-4-13/h3-8,11-12,18,20,22-35,37-44H,9-10H2,1-2H3
HMDB38047	Carvyl propionate	CCC(=O)OC1CC(CC=C1C)C(C)=C	InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3
HMDB38046	Carvyl acetate	CC(=O)OC1CC(CC=C1C)C(C)=C	InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3
HMDB38045	3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 4'-O-b-D-glucuronopyranoside	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC(O)=C5C(=O)C=C(OC5=C4)C4=CC=C(OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=CC=C1O	InChI=1S/C43H42O27/c1-62-22-8-13(2-5-16(22)44)3-7-24(48)66-36-30(53)28(51)35(40(60)61)69-43(36)70-37-31(54)29(52)34(39(58)59)68-42(37)63-15-10-18(46)25-19(47)12-21(64-23(25)11-15)14-4-6-20(17(45)9-14)65-41-32(55)26(49)27(50)33(67-41)38(56)57/h2-12,26-37,41-46,49-55H,1H3,(H,56,57)(H,58,59)(H,60,61)/b7-3+
HMDB38044	Isovitexin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl], 4'-O-b-D-glucopyranoside	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C=C4OC(=CC(=O)C4=C3O)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)=CC=C1O	InChI=1S/C43H48O23/c1-59-23-10-16(2-8-19(23)46)3-9-28(49)60-15-27-33(52)36(55)39(58)43(65-27)66-41-37(56)32(51)25(13-44)63-40(41)30-21(48)12-24-29(34(30)53)20(47)11-22(62-24)17-4-6-18(7-5-17)61-42-38(57)35(54)31(50)26(14-45)64-42/h2-12,25-27,31-33,35-46,48,50-58H,13-15H2,1H3/b9-3+
HMDB38043	Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(-&gt;6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside	OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)=C(O)C=C3O2)C(O)C(O)C1O	InChI=1S/C42H46O22/c43-13-24-31(50)36(55)40(64-42-38(57)35(54)32(51)26(63-42)15-58-27(48)10-3-16-1-6-18(45)7-2-16)39(61-24)29-21(47)12-23-28(33(29)52)20(46)11-22(60-23)17-4-8-19(9-5-17)59-41-37(56)34(53)30(49)25(14-44)62-41/h1-12,24-26,30-32,34-45,47,49-57H,13-15H2/b10-3+
HMDB38042	Isovitexin 2''-O-(6'''-feruloyl)glucoside	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C=C4OC(=CC(=O)C4=C3O)C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC=C1O	InChI=1S/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)51-14-25-30(45)32(47)34(49)37(54-25)55-36-33(48)29(44)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(39)7-5-16/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+
HMDB38041	Isovitexin; 2''-O-[4-Hydroxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl]	OCC1OC(C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O)C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1	InChI=1S/C36H36O17/c37-13-23-28(43)32(47)35(53-36-33(48)31(46)29(44)24(52-36)14-49-25(42)10-3-15-1-6-17(38)7-2-15)34(51-23)27-20(41)12-22-26(30(27)45)19(40)11-21(50-22)16-4-8-18(39)9-5-16/h1-12,23-24,28-29,31-39,41,43-48H,13-14H2/b10-3+
HMDB38040	2-Methylpropyl 3-methylbutanoate	CC(C)COC(=O)CC(C)C	InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
HMDB30670	Chrysophanol	CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=CC=C1C2=O	InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
HMDB30671	Pulmatin	CC1=CC2=C(C(=O)C3=C(O)C=CC=C3C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3
HMDB30672	Obtustyrene	COC1=C(C\C=C\C2=CC=CC=C2)C=CC(O)=C1	InChI=1S/C16H16O2/c1-18-16-12-15(17)11-10-14(16)9-5-8-13-6-3-2-4-7-13/h2-8,10-12,17H,9H2,1H3/b8-5+
HMDB30673	(-)-3,5-Cadinadiene	CC(C)C1CCC(C)C2CC=C(C)C=C12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,9-10,12-14H,6-8H2,1-4H3
HMDB30674	(3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol	CC(C)C(\C)=C\CC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C	InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h8,19,21-26,31H,9-18H2,1-7H3/b20-8+
HMDB59274	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,69-70,87-89,94H,5-9,12-13,16-20,24,29-31,36,40-42,49-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB59277	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-39,42-47,50-51,54-55,62-63,66-67,84-86,91H,5-20,23-24,28-30,32,35,40-41,48-49,52-53,56-61,64-65,68-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,54-50-,55-51-,66-62-,67-63-/t84?,85-,86-/m1/s1
HMDB30677	cis-p-Coumaric acid	OC(=O)\C=C/C1=CC=C(O)C=C1	InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3-
HMDB30678	Linocinnamarin	COC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C16H20O8/c1-22-12(18)7-4-9-2-5-10(6-3-9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+
HMDB30679	Cabreuvin	COC1=CC=C2C(=O)C(=COC2=C1)C1=CC=C(OC)C(OC)=C1	InChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3
HMDB43689	TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,36,57H,4-7,9-10,12-16,18-19,21-25,27,29-33,35,37-56H2,1-3H3/b11-8-,20-17-,28-26-,36-34-
HMDB43688	TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,55H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-54H2,1-3H3/b11-8-,20-17-,28-26-,34-32-
HMDB43683	TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,33,36-37,40,42,45,55H,4-6,9,12-15,18,21-24,28,32,34-35,38-39,41,43-44,46-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-,45-42-
HMDB43682	TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,33,36-37,40,55H,4-6,9,12-15,18,21-24,28,32,34-35,38-39,41-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-
HMDB43681	TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37-38,40,53H,4-6,9,12-15,18,21-24,28,32-34,36,39,41-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-
HMDB43680	TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,38,53H,4-6,9,12-15,18,21-24,28,32-34,36-37,39-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-
HMDB43687	TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-52H2,1-3H3/b10-7-,19-16-,27-25-,32-30-
HMDB43686	TG(15:0/20:4(8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-
HMDB43685	TG(15:0/20:4(8Z,11Z,14Z,17Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,50H,4-6,8-9,11-15,17-18,20-24,27,30-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-
HMDB43684	TG(15:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H98O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,52H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-51H2,1-3H3/b11-8-,20-17-,28-26-,36-33-
HMDB47065	TG(24:0/16:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,60H,4-16,18-19,21-25,27,29-34,36-37,39-59H2,1-3H3/b20-17-,28-26-,38-35-
HMDB36732	alpha-Caryophyllene alcohol	CC1(C)CC2C(C1)C1(C)CCCC2(C)C1O	InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3
HMDB50823	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,64H,4-7,9-10,12-15,18,21-24,31-32,35,38-41,44,47-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-
HMDB50179	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-33,36,39,45,48,58H,4-6,8,11,13-15,17,20,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-
HMDB50178	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-33,36,39,58H,4-6,8,11,13-15,17,20,22-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-
HMDB58636	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB58637	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-47,50-52,56,58-59,62-63,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,48-49,53-55,57,60-61,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,50-46-,51-47-,56-52-,62-58-,63-59-/t83?,84-,85-/m1/s1
HMDB15299	Procarbazine	CNNCC1=CC=C(C=C1)C(=O)NC(C)C	InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
HMDB15298	Itraconazole	CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1	InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
HMDB58632	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB58633	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-39,42-47,52-53,56-57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35,40-41,48-51,54-55,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,56-52-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB58630	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB58631	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB15293	Terazosin	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1	InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
HMDB15292	Chloroprocaine	CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1	InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
HMDB15291	Dinoprost Tromethamine	OCC(N)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
HMDB15290	Halothane	FC(F)(F)C(Cl)Br	InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
HMDB15297	Cilostazol	O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2	InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
HMDB15296	Ofloxacin	CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1	InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
HMDB58638	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,42-43,45-48,52-54,57-58,60,64,66,70,85-87,92H,5-8,10-12,14-20,24,28-32,40-41,44,49-51,55-56,59,61-63,65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,52-48-,57-53-,58-54-,64-60-,70-66-/t85?,86-,87-/m1/s1
HMDB15294	Amdinocillin	[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])N1CCCCCC1	InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/b16-9+/t10-,11+,13-/m1/s1
HMDB44237	TG(16:0/24:1(15Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,38,60H,4-16,18-19,21-24,29-34,36-37,39-59H2,1-3H3/b20-17-,27-25-,28-26-,38-35-
HMDB29795	Montecristin	CCCCCCCCCCCC\C=C/CC\C=C/CCC(O)C(O)CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-
HMDB29794	Isochestanin	OCC1OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(OC4=C(C=C(O)C(O)=C4O)C(=O)OCC4=CC(O)=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)C(O)=C3)C=C2O)C(O)C(O)C1O	InChI=1S/C40H42O26/c41-8-23-26(51)28(53)31(56)39(62-23)65-35-17(44)1-12(2-18(35)45)10-60-37(58)14-5-21(48)34(22(49)6-14)64-33-15(7-16(43)25(50)30(33)55)38(59)61-11-13-3-19(46)36(20(47)4-13)66-40-32(57)29(54)27(52)24(9-42)63-40/h1-7,23-24,26-29,31-32,39-57H,8-11H2
HMDB29797	(Z)-15-Oxo-11-eicosenoic acid	CCCCCC(=O)CC\C=C\CCCCCCCCCC(O)=O	InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11H,2-8,10,12-18H2,1H3,(H,22,23)/b11-9+
HMDB29796	(Z)-13-Oxo-9-octadecenoic acid	CCCCCC(=O)CC\C=C\CCCCCCCC(O)=O	InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7+
HMDB29791	Dulciol D	CC(C)(C=C)C1=C(O)C2=C(OC3=C4OC=CC4=CC=C3C2=O)C(O)=C1	InChI=1S/C20H16O5/c1-4-20(2,3)12-9-13(21)19-14(16(12)23)15(22)11-6-5-10-7-8-24-17(10)18(11)25-19/h4-9,21,23H,1H2,2-3H3
HMDB29790	Viniferal	OC1=CC=C(C=C1)C1OC2=CC=C(C=O)C=C2C1C1=CC(O)=CC2=C1C(C(O2)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C35H26O8/c36-17-18-1-10-29-27(11-18)32(35(42-29)20-4-8-23(38)9-5-20)28-15-26(41)16-30-33(28)31(21-12-24(39)14-25(40)13-21)34(43-30)19-2-6-22(37)7-3-19/h1-17,31-32,34-35,37-41H
HMDB29793	(R)-2',4',7-Trihydroxy-3',8-diprenylisoflavan	CC(C)=CCC1=C(O)C=CC(C2COC3=C(CC=C(C)C)C(O)=CC=C3C2)=C1O	InChI=1S/C25H30O4/c1-15(2)5-8-20-22(26)12-10-19(24(20)28)18-13-17-7-11-23(27)21(9-6-16(3)4)25(17)29-14-18/h5-7,10-12,18,26-28H,8-9,13-14H2,1-4H3
HMDB29792	Dieporeticenin	CCCCCCCCCC\C=C/CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-
HMDB29799	(E)-2-Tetracosenoic acid	CCCCCCCCCCCCCCCCCCCCC\C=C\C(O)=O	InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)/b23-22+
HMDB29798	Diisodityrosine	NC(CC1=CC=C(OC2=CC(CC(N)C(O)=O)=CC(=C2O)C2=C(O)C(OC3=CC=C(CC(N)C(O)=O)C=C3)=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O	InChI=1S/C36H38N4O12/c37-25(33(43)44)11-17-1-5-21(6-2-17)51-29-15-19(13-27(39)35(47)48)9-23(31(29)41)24-10-20(14-28(40)36(49)50)16-30(32(24)42)52-22-7-3-18(4-8-22)12-26(38)34(45)46/h1-10,15-16,25-28,41-42H,11-14,37-40H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
HMDB35032	Epilubimin	CC1CC(O)CC(C=O)C11CCC(C1)C(C)=C	InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3
HMDB44236	TG(16:0/24:1(15Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,59H,4-13,15-16,18-22,24,28-58H2,1-3H3/b17-14-,26-23-,27-25-
HMDB35035	Marminal	C\C(CCC=O)=C/COC1=CC2=C(C=CC(=O)O2)C=C1	InChI=1S/C16H16O4/c1-12(3-2-9-17)8-10-19-14-6-4-13-5-7-16(18)20-15(13)11-14/h4-9,11H,2-3,10H2,1H3/b12-8+
HMDB35034	Heliantriol B2	CC(=C)C1CCC2(CO)C1C1CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2O	InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3
HMDB35037	Gibberellin A32	CC12C3C(C(O)=O)C45CC(O)(C(O)CC4C3(OC1=O)C=CC2O)C(=C)C5O	InChI=1S/C19H22O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h3-4,8-13,20-22,26H,1,5-6H2,2H3,(H,23,24)
HMDB35036	Glaucarubolone 15-O-beta-D-glucopyranoside	CC1C(O)C2(O)OCC34C2C2(C)C(O)C(=O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14	InChI=1S/C26H36O13/c1-8-4-11(28)20(33)24(3)10(8)5-13-25-7-36-26(35,23(24)25)19(32)9(2)14(25)18(21(34)38-13)39-22-17(31)16(30)15(29)12(6-27)37-22/h4,9-10,12-20,22-23,27,29-33,35H,5-7H2,1-3H3
HMDB29429	Malformin	CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C2CSSCC(NC1=O)C(=O)N2)C(C)C	InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)
HMDB29428	Hypoglycin B	NC(CCC(=O)NC(CC1CC1=C)C(O)=O)C(O)=O	InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)
HMDB29423	O-Acetylhomoserine	CC(=O)OCCC(N)C(O)=O	InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)
HMDB29422	L-Histidine trimethylbetaine	C[N+](C)(C)C(CC1=CN=CN1)C([O-])=O	InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)
HMDB29421	Djenkolic acid; (R,R)-form, N-Ac	CC(=O)NC(CSCSCC(N)C(O)=O)C(O)=O	InChI=1S/C9H16N2O5S2/c1-5(12)11-7(9(15)16)3-18-4-17-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
HMDB29420	(3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol	C\C=C(/CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8+
HMDB29427	L-Hypoglycin A	NC(CC1CC1=C)C(O)=O	InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)
HMDB29426	L-trans-5-Hydroxy-2-piperidinecarboxylic acid	OC1CCC(NC1)C(O)=O	InChI=1S/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10)
HMDB29425	L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid	OCC1CNC(C1)C(O)=O	InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)
HMDB29424	L-4-Hydroxyglutamine	NC(CC(O)C(N)=O)C(O)=O	InChI=1S/C5H10N2O4/c6-2(5(10)11)1-3(8)4(7)9/h2-3,8H,1,6H2,(H2,7,9)(H,10,11)
HMDB44234	TG(16:0/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,34,59H,4-19,21-22,24,26,29-33,35-58H2,1-3H3/b23-20-,27-25-,34-28-
HMDB44233	TG(16:0/24:1(15Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,64H,4-24,29-63H2,1-3H3/b27-25-,28-26-
HMDB50171	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,32-33,58H,4-8,10-11,13-15,17,20,22-24,29-31,34-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-26-,33-27-
HMDB44232	TG(16:0/24:1(15Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,62H,4-24,29-61H2,1-3H3/b27-25-,28-26-
HMDB50170	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-32,34,40,43,56H,4-8,10-11,13-15,17,20,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-
HMDB14650	Triflupromazine	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F	InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
HMDB14651	Dextrothyroxine	N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
HMDB14652	Acetyldigitoxin	[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1	InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
HMDB14653	Vancomycin	CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(N)[C@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2	InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
HMDB14655	Dextromethorphan	[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(OC)C=C2	InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1
HMDB14656	Cisplatin	N[Pt](N)(Cl)Cl	InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2
HMDB14657	Bentoquatam	O.O=[Si]=O.O=[Al]O[Al]=O	InChI=1S/2Al.O2Si.H2O.3O/c;;1-3-2;;;;/h;;;1H2;;;
HMDB14658	Anisotropine Methylbromide	[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C	InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1
HMDB14659	Albendazole	CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2	InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
HMDB11518	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN	InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,12-13,24,27H,2,5,8,11,14-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-/t24-/m1/s1
HMDB11519	LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN	InChI=1S/C25H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-/t24-/m1/s1
HMDB11510	LysoPE(18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN	InChI=1S/C23H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h3-4,6-7,9-10,12-13,22,25H,2,5,8,11,14-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-,13-12-/t22-/m1/s1
HMDB11511	LysoPE(20:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C25H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h24,27H,2-23,26H2,1H3,(H,29,30)/t24-/m1/s1
HMDB11512	LysoPE(20:1(11Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C25H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h9-10,24,27H,2-8,11-23,26H2,1H3,(H,29,30)/b10-9-/t24-/m1/s1
HMDB11513	LysoPE(20:2(11Z,14Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN	InChI=1S/C25H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,24,27H,2-5,8,11-23,26H2,1H3,(H,29,30)/b7-6-,10-9-/t24-/m1/s1
HMDB11514	LysoPE(20:3(11Z,14Z,17Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN	InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,24,27H,2,5,8,11-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-/t24-/m1/s1
HMDB11515	LysoPE(20:3(5Z,8Z,11Z)/0:0)	[H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h9-10,12-13,15-16,24,27H,2-8,11,14,17-23,26H2,1H3,(H,29,30)/b10-9-,13-12-,16-15-/t24-/m1/s1
HMDB11516	LysoPE(20:3(8Z,11Z,14Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN	InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,24,27H,2-5,8,11,14-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-/t24-/m1/s1
HMDB11517	LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN	InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,15-16,24,27H,2-5,8,11,14,17-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1
HMDB52678	TG(18:2(9Z,12Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,61H,4-6,8-9,11-15,18,22-23,27,31,33,36,38,41,43-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-
HMDB52679	TG(18:2(9Z,12Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,48,51,61H,4-6,8-9,11-15,18,22-23,27,31,33,36,38,41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,51-48-
HMDB06200	2,4-Dihydroxy-nitrophenol	OC1=CC(O)=C(C=C1)[N+]([O-])=O	InChI=1S/C6H5NO4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H
HMDB53257	TG(18:3(6Z,9Z,12Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB06202	4,8 dimethylnonanoyl carnitine	CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C18H35NO4/c1-14(2)8-7-9-15(3)10-11-18(22)23-16(12-17(20)21)13-19(4,5)6/h14-16H,7-13H2,1-6H3
HMDB06203	5-alpha-Dihydrotestosterone glucuronide	[H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C	InChI=1S/C25H38O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
HMDB52670	TG(18:2(9Z,12Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-35,37-38,43,46,59H,4-15,18,22-23,27,31-32,36,39-42,44-45,47-58H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-
HMDB52671	TG(18:2(9Z,12Z)/20:3n6/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,35,37,40,61H,4-15,18,22-23,27,31-34,36,38-39,41-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,40-37-
HMDB52672	TG(18:2(9Z,12Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,61H,4-15,18,22-23,27,31,33,36,38,41,43-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-
HMDB52673	TG(18:2(9Z,12Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,48,51,61H,4-15,18,22-23,27,31,33,36,38,41,43-47,49-50,52-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,51-48-
HMDB52674	TG(18:2(9Z,12Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,36,57H,4-8,10-11,13-15,17,22,24,26,30,34-35,37-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-
HMDB52675	TG(18:2(9Z,12Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,36-37,40,57H,4-8,10-11,13-15,17,22,24,26,30,34-35,38-39,41-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-
HMDB52676	TG(18:2(9Z,12Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-35,37-38,59H,4-6,8-9,11-15,18,22-23,27,31-32,36,39-58H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-
HMDB52677	TG(18:2(9Z,12Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-35,37-38,43,46,59H,4-6,8-9,11-15,18,22-23,27,31-32,36,39-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-
HMDB57449	CL(16:1(9Z)/18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,38,42,50,54,73-75,80H,5-20,22-24,26,29-30,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB49303	TG(18:1(11Z)/20:1(11Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,56H,4-19,22,26-27,29-55H2,1-3H3/b23-20-,24-21-,28-25-
HMDB49305	TG(18:1(11Z)/20:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,58H,4-20,22-23,27,30-57H2,1-3H3/b24-21-,28-25-,29-26-
HMDB07157	DG(18:0/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,35,38H,3-13,15,17-34H2,1-2H3/b16-14-/t35-/m0/s1
HMDB07156	DG(18:0/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1
HMDB07155	DG(18:0/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1
HMDB07154	DG(18:0/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,33,36H,3-9,11,13-32H2,1-2H3/b12-10-/t33-/m0/s1
HMDB07153	DG(18:0/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
HMDB07152	DG(16:1(9Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16-18,41,44H,3-13,15,19-40H2,1-2H3/b16-14-,18-17-/t41-/m0/s1
HMDB07151	DG(16:1(9Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16,41,44H,3-13,15,17-40H2,1-2H3/b16-14-/t41-/m0/s1
HMDB07150	DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,39,42H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1
HMDB54535	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,36,39-40,43,45,48,60H,4-8,10-11,13-15,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB54534	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,36,39,45,48,60H,4-8,10-11,13-15,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB54537	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-15,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB54536	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-15,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB54531	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,40,43,49,52,64H,4-15,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB54530	TG(22:2(13Z,16Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,61H,4-15,18,21-24,27,30-35,37-38,40-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-
HMDB07159	DG(18:0/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,37,40H,3-13,15,17-36H2,1-2H3/b16-14-/t37-/m0/s1
HMDB07158	DG(18:0/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
HMDB44514	TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,35,38,53H,4-7,9-10,12-16,18,21,23-25,30-34,36-37,39-52H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-,38-35-
HMDB10391	LysoPC(20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C28H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h12-13,27,30H,5-11,14-26H2,1-4H3/b13-12-/t27-/m1/s1
HMDB10390	LysoPC(20:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/t27-/m1/s1
HMDB10393	LysoPC(20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C28H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h12-13,15-16,18-19,27,30H,5-11,14,17,20-26H2,1-4H3/b13-12-,16-15-,19-18-/t27-/m1/s1
HMDB10392	LysoPC(20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C28H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,27,30H,5-8,11,14-26H2,1-4H3/b10-9-,13-12-/t27-/m1/s1
HMDB10395	LysoPC(20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t27-/m1/s1
HMDB10394	LysoPC(20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C28H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,27,30H,5-8,11,14,17-26H2,1-4H3/b10-9-,13-12-,16-15-/t27-/m1/s1
HMDB10397	LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t27-/m1/s1
HMDB10396	LysoPC(20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,27,30H,5,8,11,14,17-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-/t27-/m1/s1
HMDB10399	LysoPC(22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C30H60NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h12-13,29,32H,5-11,14-28H2,1-4H3/b13-12-/t29-/m1/s1
HMDB10398	LysoPC(22:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C30H62NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h29,32H,5-28H2,1-4H3/t29-/m1/s1
HMDB54283	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-45,58H,4-6,8,11,13-15,22-24,30-31,37-39,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB54282	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40,42-43,45,58H,4-6,8,11,13-15,22-24,30-31,37-39,41,44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,45-42-
HMDB54281	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,36,38-41,43,56H,4-7,10,13-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB54280	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,38,40-41,43,56H,4-7,10,13-15,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB54287	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-44,46-47,60H,4-8,10-11,13-15,22-24,31-33,40-42,45,48-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB54286	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,34,38,40-41,43,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB54285	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB54284	TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB54289	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB54288	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,36,38-39,41,45,48,62H,4-8,10-11,13-15,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB04362	4-Hydroxynonenal	CCCCCC(O)\C=C\C=O	InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
HMDB44518	TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,36,38-39,41,54H,4-7,9-10,12-15,18,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB44519	TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,38,41,56H,4-7,9-10,12-15,18,21-24,28-30,32-37,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,41-38-
HMDB12894	Apelin-13	CSCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43+,44-,45-,46+,47-,48-,49+,50-,51+,52+,53-/m0/s1
HMDB12895	Arginine vasopressin 1-8	NC1CSSC[C@H](NC(=O)C(CC(O)=N)NC(=O)[C@@H](CCC(O)=N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(O)=O	InChI=1S/C44H61N13O12S2/c45-26-21-70-71-22-32(42(67)57-17-5-9-33(57)41(66)52-28(43(68)69)8-4-16-50-44(48)49)56-40(65)31(20-35(47)60)55-37(62)27(14-15-34(46)59)51-38(63)30(18-23-6-2-1-3-7-23)54-39(64)29(53-36(26)61)19-24-10-12-25(58)13-11-24/h1-3,6-7,10-13,26-33,58H,4-5,8-9,14-22,45H2,(H2,46,59)(H2,47,60)(H,51,63)(H,52,66)(H,53,61)(H,54,64)(H,55,62)(H,56,65)(H,68,69)(H4,48,49,50)/t26?,27-,28-,29-,30-,31?,32+,33-/m1/s1
HMDB12897	Beta-Carboline	N1C2=CC=CC=C2C2=C1C=NC=C2	InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
HMDB36027	alpha-Damascone	C\C=C/C(=O)C1C(C)=CCCC1(C)C	InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5-
HMDB56517	CL(16:0/18:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(84,85)90-66-72(79)67-91-97(86,87)93-71-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1
HMDB36026	Octahydro-6-isopropyl-2(1H)-naphthalenone	CC(C)C1CCC2CC(=O)CCC2C1	InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3
HMDB47384	TG(24:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,37-38,40,63H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-36,39,41-62H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-30-,40-38-
HMDB56516	CL(16:0/18:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h33,35-36,38,73-75,80H,5-32,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-,38-35-/t73?,74-,75-/m1/s1
HMDB36025	2,4,6-Trimethyl-4-phenyl-1,3-dioxane	CC1CC(C)(OC(C)O1)C1=CC=CC=C1	InChI=1S/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
HMDB56519	CL(16:0/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB36024	10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene	CC(C)C1CCC(C)=CC11OC(C)C=C1	InChI=1S/C14H22O/c1-10(2)13-6-5-11(3)9-14(13)8-7-12(4)15-14/h7-10,12-13H,5-6H2,1-4H3
HMDB56518	CL(16:0/18:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1
HMDB36023	Etaspirene	CCC1=CCCC(C)(C)C11OC(C)C=C1	InChI=1S/C14H22O/c1-5-12-7-6-9-13(3,4)14(12)10-8-11(2)15-14/h7-8,10-11H,5-6,9H2,1-4H3
HMDB13467	SM(d18:0/22:2(13Z,16Z)(OH))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H87N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,35,37,42-44,48-49H,6-13,15,17-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b16-14-,21-20-,37-35+/t42?,43-,44+/m0/s1
HMDB56832	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,51-52,59,63,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49-50,53-58,60-62,64-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-/t79?,80-,81-/m1/s1
HMDB00318	3,4-Dihydroxyphenylglycol	OCC(O)C1=CC(O)=C(O)C=C1	InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2
HMDB00319	18-Hydroxycorticosterone	[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
HMDB47385	TG(24:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,37-38,40,46,49,63H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-36,39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-30-,40-38-,49-46-
HMDB56833	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB00314	3b-Allotetrahydrocortisol	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
HMDB00315	16-a-Hydroxypregnenolone	[H][C@@]12C[C@@H](O)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
HMDB00316	2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid	[H][C@@]12C[C@H](O)[C@@H](O)C[C@]1(C)C1C[C@H](O)[C@]3(C)C(CCC3C1[C@H](O)C2)[C@@H](C)CCC(O)=O	InChI=1S/C24H40O6/c1-12(4-7-21(29)30)14-5-6-15-22-16(10-20(28)24(14,15)3)23(2)11-19(27)17(25)8-13(23)9-18(22)26/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14?,15?,16?,17-,18+,19-,20-,22?,23-,24+/m0/s1
HMDB13465	SM(d18:0/20:2(11Z,14Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H83N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,34,36,41-42,46H,6-13,15,17-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b16-14-,21-20-,36-34+/t41-,42+/m0/s1
HMDB00310	Methylacetoacetic acid	COC(=O)CC(C)=O	InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
HMDB00311	3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@@H](O)CC[C@]12C	InChI=1S/C24H40O6/c1-12(4-7-20(28)29)13-5-6-14-21-15(11-19(27)24(13,14)3)23(2)9-8-17(25)22(30)16(23)10-18(21)26/h12-19,21-22,25-27,30H,4-11H2,1-3H3,(H,28,29)/t12-,13-,14+,15+,16-,17+,18-,19+,21+,22-,23-,24-/m1/s1
HMDB00312	3a,7a,12b-Trihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20-,22+,23+,24-/m1/s1
HMDB00313	16b-Hydroxyestrone	[H][C@@]12C[C@H](O)C(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1
HMDB48563	TG(16:1(9Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,35,38,44,47,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,38-35-,47-44-
HMDB05792	Sulforaphane	CS(=O)CCCCN=C=S	InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
HMDB48561	TG(16:1(9Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,39,42,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-,42-39-
HMDB05790	Tannin	O[C@@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]1[C@@H]2O	InChI=1S/C26H20O18/c27-8-1-5(2-9(28)14(8)31)22(38)42-25-19(36)21-20(37)26(44-25)43-24(40)7-4-11(30)16(33)18(35)13(7)12-6(23(39)41-21)3-10(29)15(32)17(12)34/h1-4,19-21,25-37H/t19-,20-,21-,25+,26-/m0/s1
HMDB05797	Peonidin	[Cl-].COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O	InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H
HMDB05796	Picrocrocin	CC1=C(C=O)C(C)(C)C[C@@H](C1)O[C@@H]1O[C@H](CO)C(O)[C@H](O)C1O	InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12?,13+,14?,15-/m1/s1
HMDB05795	Punicalagin	OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(O)C(O)=C(O)C=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC1C=O	InChI=1S/C48H28O30/c49-5-16-40(76-46(70)20-7(1-11(50)30(58)34(20)62)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)9-3-13(52)28(56)32(60)18(9)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)19-10(45(69)75-39)4-14(53)29(57)33(19)61/h1-5,15-16,39-40,50-66H,6H2
HMDB05794	Quercetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1	InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
HMDB56836	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-/t81?,82-,83-/m1/s1
HMDB05799	Scolymoside	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC3=C(C=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)19(9-28)40-27(25)38-12-3-4-13-15(30)8-17(39-18(13)7-12)11-2-5-14(29)16(31)6-11/h2-8,10,19-29,31-36H,9H2,1H3/t10-,19+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
HMDB05798	Malabaricone C	OC1=CC=CC(O)=C1C(=O)CCCCCCCCC1=CC(O)=C(O)C=C1	InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
HMDB46431	TG(22:0/14:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-
HMDB56837	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,27-29,31-32,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1
HMDB03654	4-Coumaryl alcohol	OC\C=C\C1=CC=C(O)C=C1	InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
HMDB49213	TG(18:1(11Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,34,40,43,60H,4-7,9-10,12-16,18-19,22-23,25,27-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,24-21-,34-26-,43-40-
HMDB03656	Acetaldehyde oxime	C\C=N\O	InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+
HMDB46430	TG(22:0/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h65H,4-64H2,1-3H3
HMDB48078	TG(14:1(9Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-20,22,25-28,32,35,51H,4-14,16,21,23-24,29-31,33-34,36-50H2,1-3H3/b18-15-,20-17-,22-19-,27-25-,28-26-,35-32-
HMDB49217	TG(18:1(11Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,45-42-,54-51-
HMDB49214	TG(18:1(11Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,37,40,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-36,38-39,41-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,40-37-
HMDB49215	TG(18:1(11Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,37,40,46,49,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,40-37-,49-46-
HMDB49218	TG(18:1(11Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h21,24,61H,4-20,22-23,25-60H2,1-3H3/b24-21-
HMDB49219	TG(18:1(11Z)/14:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,50H,4-14,16-17,21,24-49H2,1-3H3/b18-15-,22-19-,23-20-
HMDB53848	TG(20:3n6/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,37-38,41-42,45,60H,4-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-
HMDB46435	TG(22:0/14:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-
HMDB53849	TG(20:3n6/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-
HMDB46434	TG(22:0/14:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-
HMDB56838	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,27,29,31,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,32-28-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1
HMDB56839	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-36,39-42,47-48,51-52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27,29-31,37-38,43-46,49-50,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB51304	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-33,35,39,41-42,44,57H,4-8,10-11,13-17,19,22,24,26,30,34,36-38,40,43,45-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-,44-41-
HMDB57163	CL(18:0/18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,36-37,39-40,43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-35,38,41-42,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB57162	CL(18:0/18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-20,22-24,26,28-30,32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57161	CL(18:0/18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,36-37,41-42,46,54,58,77-79,84H,5-20,22-24,26,28-30,32,34-35,38-40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57160	CL(18:0/18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,36-37,40-41,76-78,83H,5-24,26,28,30,32-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57167	CL(18:0/18:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32-33,35-36,38,73-75,80H,5-27,29-31,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-,38-35-/t73?,74-,75-/m1/s1
HMDB57166	CL(18:0/18:1(9Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33,36-37,40,75-77,82H,5-32,34-35,38-39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,40-36-/t75?,76-,77-/m1/s1
HMDB57165	CL(18:0/18:1(9Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h33,35-36,38,73-75,80H,5-32,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-,38-35-/t73?,74-,75-/m1/s1
HMDB57164	CL(18:0/18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB49537	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-15,17-18,20,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB57169	CL(18:0/18:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33,35-37,39-40,75-77,82H,5-32,34,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,39-35-,40-36-/t75?,76-,77-/m1/s1
HMDB57168	CL(18:0/18:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,33,36-37,40,75-77,82H,5-26,28-30,32,34-35,38-39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,37-33-,40-36-/t75?,76-,77-/m1/s1
HMDB49536	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,39,42,48,51,60H,4-15,17-18,20,22-23,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,42-39-,51-48-
HMDB49539	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,37,43,46,52,55,64H,4-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB31703	2-Ethylbutyl acetate	CCC(CC)COC(C)=O	InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3
HMDB31702	1-Piperidinecarboxaldehyde	O=CN1CCCCC1	InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
HMDB31701	1-(gamma-Glutamylamino)cyclopropanecarboxylic acid	NC(CCC(=O)NC1(CC1)C(O)=O)C(O)=O	InChI=1S/C9H14N2O5/c10-5(7(13)14)1-2-6(12)11-9(3-4-9)8(15)16/h5H,1-4,10H2,(H,11,12)(H,13,14)(H,15,16)
HMDB31700	1-(Malonylamino)cyclopropanecarboxylic acid	OC(=O)CC(=O)NC1(CC1)C(O)=O	InChI=1S/C7H9NO5/c9-4(3-5(10)11)8-7(1-2-7)6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
HMDB31707	1,2-Ethanedithiol	SCCS	InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
HMDB31706	3,4-Dihydroxyphenacyl caffeate	OC1=C(O)C=C(\C=C\C(=O)OCC(=O)C2=CC(O)=C(O)C=C2)C=C1	InChI=1S/C17H14O7/c18-12-4-1-10(7-14(12)20)2-6-17(23)24-9-16(22)11-3-5-13(19)15(21)8-11/h1-8,18-21H,9H2/b6-2+
HMDB31705	Heliannone A	COC1=C(OC)C(O)=C(C=C1)C(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C17H16O5/c1-21-15-10-8-13(16(20)17(15)22-2)14(19)9-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b9-5+
HMDB31704	Danielone	COC1=CC(=CC(OC)=C1O)C(=O)CO	InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3
HMDB31709	1,6-Hexanedithiol	SCCCCCCS	InChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
HMDB31708	1,2-bis(methylthio)ethane	CSCCSC	InChI=1S/C4H10S2/c1-5-3-4-6-2/h3-4H2,1-2H3
HMDB07935	PC(15:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1
HMDB35412	1(10),11-Eremophiladiene-2,9-dione	CC1CC(=O)C=C2C(=O)CC(CC12C)C(C)=C	InChI=1S/C15H20O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11H,1,5-6,8H2,2-4H3
HMDB35411	(R)-Dihydrocitronellol	CC(C)CCCC(C)CCO	InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
HMDB35410	3,7-Dimethyl-1-octanol, 9CI; (R)-form, Ac	CC(C)CCCC(C)CCOC(C)=O	InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3
HMDB35417	(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol	CC1(C)C2CCC1(C)C(C)(O)C2	InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
HMDB07930	PC(14:1(9Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15-16,18,32,35,39H,6-12,14,17,19-31,33-34,36-38H2,1-5H3/b15-13-,18-16-,35-32-
HMDB35415	3,3',4',5,6,8-Hexamethoxyflavone	COC1=CC=C(C=C1OC)C1=C(OC)C(=O)C2=C(O1)C(OC)=CC(OC)=C2OC	InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-19(27-5)14(25-3)10-15(26-4)20(16)29-18/h7-10H,1-6H3
HMDB35414	Lepalone	CC(=C)C(=O)CCC1=COC=C1	InChI=1S/C10H12O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7H,1,3-4H2,2H3
HMDB35419	Pyranodelphinin B	CC1=CC2=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C3=CC(O)=CC(O1)=C23)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C24H22O12/c1-8-2-11-17-14(33-8)5-10(26)6-15(17)34-22(9-3-12(27)18(29)13(28)4-9)23(11)36-24-21(32)20(31)19(30)16(7-25)35-24/h2-6,16,19-21,24-25,30-32H,7H2,1H3,(H3-,26,27,28,29)/p+1
HMDB35418	2-Methyl-1-butanethiol	CCC(C)CS	InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
HMDB07939	PC(15:0/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,39H,6-19,22-38H2,1-5H3/b21-20-/t39-/m1/s1
HMDB07938	PC(15:0/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,39H,6-15,17,19-38H2,1-5H3/b18-16-/t39-/m1/s1
HMDB54092	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-14,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB54093	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,36,39,52H,4-7,9-10,12-14,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-
HMDB54091	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38-39,42,56H,4-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB54096	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,37-38,40-41,54H,4-6,8-9,11-14,21-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB54094	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,33,35-36,39,52H,4-7,9-10,12-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB54095	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,38,41,54H,4-6,8-9,11-14,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB02268	Beta-Cryptoxanthin	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=CCCC2(C)C)C(C)(C)C1	InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1
HMDB02269	Curcumin	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
HMDB02266	(E)-2-Methylglutaconic acid	C\C(=C/CC(O)=O)C(O)=O	InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
HMDB02264	(R)-2-Hydroxycaprylic acid	CCCCCC[C@@H](O)C(O)=O	InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
HMDB02265	14,15-DiHETrE	CCCCCC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-
HMDB02262	CE(12:0)	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCC)[C@H](C)CCCC(C)C	InChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33+,34-,35+,36+,38+,39-/m1/s1
HMDB02263	Primapterin	CC(O)C(O)C1=CN=C2C(=O)N=C(N)NC2=N1	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h2-3,6,15-16H,1H3,(H3,10,12,13,14,17)
HMDB02261	2-Hydroxymyristic acid	CCCCCCCCCCCCC(O)C(O)=O	InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
HMDB54781	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,40-41,43-44,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-39,42,45-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,43-40-,44-41-
HMDB43547	TG(15:0/22:2(13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,53H,4-15,17-18,21-22,24,27-52H2,1-3H3/b19-16-,23-20-,26-25-
HMDB30072	Albafuran B	CC(C)=CCC\C(C)=C\CC1=C(O)C=C(C=C1O)C1=CC2=C(O1)C=C(O)C=C2	InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(26)11-18(12-22(20)27)23-13-17-8-9-19(25)14-24(17)28-23/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+
HMDB30073	Albafuran C	CC1=CC(C(C(C1)C1=C(O)C=C(O)C=C1)C(=O)C1=CC=C(O)C=C1O)C1=C(O)C=C2OC(=CC2=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C34H28O9/c1-16-6-26(23-4-2-19(35)13-28(23)39)33(34(42)24-5-3-20(36)14-29(24)40)27(7-16)25-10-18-11-31(43-32(18)15-30(25)41)17-8-21(37)12-22(38)9-17/h2-5,7-15,26-27,33,35-41H,6H2,1H3
HMDB30070	(S)-3-Octanol	CCCCCC(O)CC	InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
HMDB30071	Albafuran A	CC(C)=CCC\C(C)=C\CC1=C(C=C(O)C=C1O)C1=CC2=C(O1)C=C(O)C=C2	InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+
HMDB30076	Cheirotoxol	CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C35H54O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,16,18-22,24-31,36-37,39-45H,3-10,12-15H2,1-2H3
HMDB30077	(3beta,4alpha,5alpha)-4-Methyl-8(14)-cholesten-3-ol	CC(C)CCCC(C)C1CCC2=C3CCC4C(C)C(O)CCC4(C)C3CCC12C	InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25-26,29H,7-17H2,1-6H3
HMDB30074	Albanin F	CC(C)=CCC1=C(OC2=C(C3C=C(C)CC(C3C(=O)C3=C(O)C=C(O)C=C3)C3=C(O)C=C(O)C=C3)C(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1O	InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3
HMDB30075	Albanin G	CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C3OC(=C(CC=C(C)C)C(=O)C3=C(O)C=C2O)C2=CC=C(O)C=C2O)C2=C(O)C=C(O)C=C2)=C1O	InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3
HMDB30078	25-Methyl-24-methylenecholesterol	CC(CCC(=C)C(C)(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C29H48O/c1-19(8-9-20(2)27(3,4)5)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,6)26(23)15-17-29(24,25)7/h10,19,22-26,30H,2,8-9,11-18H2,1,3-7H3
HMDB30079	4,14-Dimethylergosta-8,25-dien-3-ol	CC(CCC(C)C(C)=C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3	InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h20-24,27,31H,1,9-18H2,2-8H3
HMDB47266	TG(24:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,38,41,44,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,38-27-,44-41-
HMDB02886	6-Keto-prostaglandin F1a	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O	InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1
HMDB02884	Cetoleic acid	CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O	InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-
HMDB40358	(R)-Bitalin A	CC(=O)C1=CC2=C(OC(C2)C(=C)CO)C=C1	InChI=1S/C13H14O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-5,13-14H,1,6-7H2,2H3
HMDB40359	1,2-Dimethoxy-4-vinylbenzene	COC1=C(OC)C=C(C=C)C=C1	InChI=1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3
HMDB57658	CL(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25-32,35,37,72-74,79H,5-24,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB01489	Ribose 1-phosphate	OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O	InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
HMDB40354	1,4,5-Trihydroxy-3-prenylxanthone	CC(C)=CCC1=C(O)C2=C(C(O)=C1)C(=O)C1=C(O2)C(O)=CC=C1	InChI=1S/C18H16O5/c1-9(2)6-7-10-8-13(20)14-16(22)11-4-3-5-12(19)17(11)23-18(14)15(10)21/h3-6,8,19-21H,7H2,1-2H3
HMDB40355	7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione	COC1=CC(\C=C/C(=O)CC(=O)CC(O)C2=CC=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C21H22O7/c1-27-20-9-13(4-7-17(20)24)3-6-15(22)11-16(23)12-19(26)14-5-8-18(25)21(10-14)28-2/h3-10,19,24-26H,11-12H2,1-2H3/b6-3-
HMDB40356	Osmorhizole	COC1=CC(OC)=C(CC=C)C=C1	InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4,6-8H,1,5H2,2-3H3
HMDB40357	6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one	CC1(C)OC2=C(C=C1)C=C(O)C1=C2OC2=C(C=CC=C2O)C1=O	InChI=1S/C18H14O5/c1-18(2)7-6-9-8-12(20)13-14(21)10-4-3-5-11(19)16(10)22-17(13)15(9)23-18/h3-8,19-20H,1-2H3
HMDB40350	6,11-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2,3-c]xanthen-7-one	CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C(O)=C2)C(=O)C2=C(O1)C(O)=CC=C2	InChI=1S/C23H22O5/c1-13(2)6-5-10-23(3)11-9-14-18(28-23)12-17(25)19-20(26)15-7-4-8-16(24)21(15)27-22(14)19/h4,6-9,11-12,24-25H,5,10H2,1-3H3
HMDB40351	(E)-4-(3,7-Dimethyl-2,6-octadienyl)-1,3,5-trihydroxyxanthone	CC(C)=CCC\C(C)=C/CC1=C(O)C=C(O)C2=C1OC1=C(C=CC=C1O)C2=O	InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19(26)20-21(27)16-8-5-9-17(24)22(16)28-23(15)20/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10-
HMDB40352	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	COC1=CC(CCCO)=CC=C1OC(CO)CO	InChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3
HMDB40353	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 1-O-b-D-Glucopyranoside	COC1=CC(CCCO)=CC=C1OC(CO)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H30O10/c1-26-14-7-11(3-2-6-20)4-5-13(14)28-12(8-21)10-27-19-18(25)17(24)16(23)15(9-22)29-19/h4-5,7,12,15-25H,2-3,6,8-10H2,1H3
HMDB08303	PC(20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,44H,6-14,16,18-19,23,25-43H2,1-5H3/b17-15-,22-20-,24-21-/t44-/m1/s1
HMDB08302	PC(20:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20-22,24,44H,6-19,23,25-43H2,1-5H3/b22-20-,24-21-/t44-/m1/s1
HMDB08301	PC(20:1(11Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h17,19-20,22,44H,6-16,18,21,23-43H2,1-5H3/b19-17-,22-20-/t44-/m1/s1
HMDB08300	PC(20:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20,22,44H,6-19,21,23-43H2,1-5H3/b22-20-/t44-/m1/s1
HMDB08307	PC(20:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,46H,6-19,21,23-45H2,1-5H3/b22-20-/t46-/m1/s1
HMDB08306	PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24,29,31,44H,6-8,10,12-14,16,18-19,23,25-28,30,32-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,31-29-/t44-/m1/s1
HMDB08305	PC(20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24,44H,6-8,10,12-14,16,18-19,23,25-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-/t44-/m1/s1
HMDB08304	PC(20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,29,31,44H,6-14,16,18-19,23,25-28,30,32-43H2,1-5H3/b17-15-,22-20-,24-21-,31-29-/t44-/m1/s1
HMDB08309	PC(20:1(11Z)/20:2(11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,46H,6-14,16,18-19,24-45H2,1-5H3/b17-15-,22-20-,23-21-/t46-/m1/s1
HMDB08308	PC(20:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,46H,6-19,24-45H2,1-5H3/b22-20-,23-21-/t46-/m1/s1
HMDB48074	TG(14:1(9Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,29-31,37,40,53H,4-14,16-17,19,21-22,25,28,32-36,38-39,41-52H2,1-3H3/b18-15-,23-20-,26-24-,29-27-,31-30-,40-37-
HMDB51238	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,38,41-42,45,47,50,64H,4-15,18,21-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB57201	CL(18:0/18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB50579	TG(20:1(11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB50578	TG(20:1(11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-
HMDB48077	TG(14:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,26-29,52H,4-14,16-17,21,24-25,30-51H2,1-3H3/b18-15-,22-19-,23-20-,28-26-,29-27-
HMDB48076	TG(14:1(9Z)/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,33,57H,4-14,16-17,19,21-22,25,28-32,34-56H2,1-3H3/b18-15-,23-20-,26-24-,33-27-
HMDB50571	TG(20:1(11Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,42,45,62H,4-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,45-42-
HMDB50570	TG(20:1(11Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,37,63H,4-20,22-23,27,31-36,38-62H2,1-3H3/b24-21-,28-25-,29-26-,37-30-
HMDB57575	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h26-28,30-33,35,71-73,78H,5-25,29,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,31-27-,32-28-,35-33-/t71?,72-,73-/m1/s1
HMDB33039	Corchorusoside C	CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3
HMDB33038	Theaflavate B	OC1CC2=C(OC1C1=CC(O)=C(O)C3=C1C=C(C=C(O)C3=O)C(=O)OC1CC3=C(OC1C1=CC=C(O)C(O)=C1)C=C(O)C(O)=C3)C=C(O)C=C2O	InChI=1S/C36H28O15/c37-16-8-21(39)19-11-27(45)35(50-29(19)9-16)18-10-26(44)33(47)31-17(18)3-15(6-25(43)32(31)46)36(48)51-30-7-14-5-23(41)24(42)12-28(14)49-34(30)13-1-2-20(38)22(40)4-13/h1-6,8-10,12,27,30,34-35,37-42,44-45,47H,7,11H2,(H,43,46)
HMDB33033	(R)-3,7-Dimethyl-5-indanecarboxylic acid	CC1CCC2=C1C=C(C=C2C)C(O)=O	InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14)
HMDB33032	Thalicpureine	CNCCC1=C(OC)C(OC)=C(OC)C2=C1C=CC1=C2C=C(OC)C(OC)=C1	InChI=1S/C22H27NO5/c1-23-10-9-15-14-8-7-13-11-17(24-2)18(25-3)12-16(13)19(14)21(27-5)22(28-6)20(15)26-4/h7-8,11-12,23H,9-10H2,1-6H3
HMDB33031	Neoacrimarine H	CN1C2=C(C=CC=C2OC2C(O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)C(=O)C2=C1C1=C(OC(C)(C)C=C1)C=C2O	InChI=1S/C33H29NO8/c1-32(2)14-13-17-22(41-32)15-19(35)24-27(17)34(5)26-18(28(24)37)7-6-8-21(26)39-30-25-20(42-33(3,4)31(30)38)11-9-16-10-12-23(36)40-29(16)25/h6-15,30-31,35,38H,1-5H3
HMDB33030	Antibiotic CJ 14258	CC(C)C1=C2C3CCC4C5C(OC6OCC(O)C(OC4O)C56O)C3(C)CCC2(C)CC1	InChI=1S/C25H38O6/c1-12(2)13-7-8-23(3)9-10-24(4)15(17(13)23)6-5-14-18-20(24)31-22-25(18,28)19(30-21(14)27)16(26)11-29-22/h12,14-16,18-22,26-28H,5-11H2,1-4H3
HMDB33037	Isoartocarpesin	CC(C)\C=C\C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1O	InChI=1S/C20H18O6/c1-10(2)3-5-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)12-6-4-11(21)7-14(12)22/h3-10,21-23,25H,1-2H3/b5-3+
HMDB33036	8-Hydroxy-1-methoxy-3-methylanthraquinone	COC1=CC(C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O	InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3
HMDB33035	Tejedine	COC(=O)C1=CC(OC2=CC=C(CC3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5=O)C=C3OC)=C(OC)C(OC)=C4)C=C2)=C(O)C=C1	InChI=1S/C38H40N2O9/c1-39-15-14-24-19-33(45-4)35(46-5)36(49-32-21-27-23(18-31(32)44-3)13-16-40(2)37(27)42)34(24)28(39)17-22-7-10-26(11-8-22)48-30-20-25(38(43)47-6)9-12-29(30)41/h7-12,18-21,28,41H,13-17H2,1-6H3
HMDB33034	Antibiotic GR 95647X	CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CC2C3C(CC(O)C2C1)C3(C)C	InChI=1S/C26H36O6/c1-12(2)6-17(20-23(31)15(10-27)22(30)16(11-28)24(20)32)26(5)8-13-14(9-26)21-18(7-19(13)29)25(21,3)4/h10-14,17-19,21,29-32H,6-9H2,1-5H3
HMDB31888	Theacitrin A	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(=O)C2(O)C1C1(C=C(O)C(=O)C(O)=C1C2=O)C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C37H28O18/c38-12-3-17(40)14-7-21(44)31(53-23(14)5-12)16-9-26(46)37(52)32(16)36(10-22(45)29(48)30(49)27(36)33(37)50)34-25(8-15-18(41)4-13(39)6-24(15)54-34)55-35(51)11-1-19(42)28(47)20(43)2-11/h1-6,9-10,21,25,31-32,34,38-45,47,49,52H,7-8H2
HMDB31889	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)E,4E,6a,8b)-form, Angeloyl	C\C=C(\C)C(=O)OC1C\C(C=O)=C/CC\C(C)=C\C2OC(=O)C(=C)C12	InChI=1S/C20H24O5/c1-5-13(3)19(22)24-17-10-15(11-21)8-6-7-12(2)9-16-18(17)14(4)20(23)25-16/h5,8-9,11,16-18H,4,6-7,10H2,1-3H3/b12-9+,13-5-,15-8+
HMDB41409	Cyanidin 3-(3''-malonyl-glucoside)	[H]OC(=O)C([H])([H])C(=O)OC1([H])C([H])(O[H])C([H])(OC2=C([H])C3=C(O[H])C([H])=C(O[H])C([H])=C3[O+]=C2C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])OC([H])(C([H])([H])O[H])C1([H])O[H]	InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1
HMDB41408	Gibberellin A101	CC12CCCC3(COC1=O)C1CCC4(O)CC1(C(O)C4=C)C(C23)C(O)=O	InChI=1S/C20H26O6/c1-10-14(21)20-8-19(10,25)7-4-11(20)18-6-3-5-17(2,16(24)26-9-18)13(18)12(20)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)
HMDB31884	Sandosaponin A	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(=O)C1	InChI=1S/C48H76O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-26,28-38,40-42,49-51,53-59H,9-20H2,1-7H3,(H,60,61)
HMDB31885	6-Hydroxypentadecanedioic acid	OC(CCCCCCCCC(O)=O)CCCCC(O)=O	InChI=1S/C15H28O5/c16-13(10-7-8-12-15(19)20)9-5-3-1-2-4-6-11-14(17)18/h13,16H,1-12H2,(H,17,18)(H,19,20)
HMDB31886	Rollidecin D	CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-33(39)34-25-26-36(43-34)35-24-23-32(42-35)21-18-15-12-10-11-14-17-20-31(38)28-30-27-29(2)41-37(30)40/h27,29,31-36,38-39H,3-26,28H2,1-2H3
HMDB31887	Rollidecin C	CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-13-11-12-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3
HMDB31880	Ampeloside Bf2	CC(CCC1(O)OC2CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H76O21/c1-17(16-60-40-36(56)33(53)31(51)27(13-46)62-40)5-8-45(59)18(2)30-26(66-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)61-41-38(58)35(55)39(29(15-48)64-41)65-42-37(57)34(54)32(52)28(14-47)63-42/h17-42,46-59H,5-16H2,1-4H3
HMDB31881	Ampeloside Bf1	CC(CCC1(O)OC2CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H86O26/c1-18(17-69-45-39(64)36(61)33(58)28(13-52)71-45)5-8-51(68)19(2)32-27(77-51)10-22-20-9-24(56)23-11-26(25(57)12-50(23,4)21(20)6-7-49(22,32)3)70-46-41(66)38(63)43(31(16-55)74-46)75-48-42(67)44(35(60)30(15-54)73-48)76-47-40(65)37(62)34(59)29(14-53)72-47/h18-48,52-68H,5-17H2,1-4H3
HMDB31882	Sandosapogenol	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC34C)C2C1	InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,18,20-24,32-33H,9-17H2,1-7H3
HMDB31883	Sandosaponin B	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1	InChI=1S/C48H76O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,20,22-38,40-42,49-50,52-59H,9-19H2,1-7H3,(H,60,61)
HMDB08875	PE(14:1(9Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,16-17,39H,3-9,11,13-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,17-16-/t39-/m1/s1
HMDB08874	PE(14:1(9Z)/22:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,39H,3-9,11,13-38,42H2,1-2H3,(H,45,46)/b12-10-/t39-/m1/s1
HMDB08877	PE(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,39H,3-9,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
HMDB08876	PE(14:1(9Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,39H,3-9,14-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-/t39-/m1/s1
HMDB08871	PE(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,24,26,37H,3-9,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-,20-19-,26-24-/t37-/m1/s1
HMDB08870	PE(14:1(9Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,37H,3-9,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-,20-19-/t37-/m1/s1
HMDB08873	PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,24,26,37H,3-4,6,8-9,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-,26-24-/t37-/m1/s1
HMDB08872	PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,37H,3-4,6,8-9,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-/t37-/m1/s1
HMDB08879	PE(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,39H,3-4,6,8-9,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
HMDB08878	PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,28,30,39H,3-9,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1
HMDB43549	TG(15:0/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,55H,4-15,17-18,20-24,28-30,32-54H2,1-3H3/b19-16-,27-25-,31-26-
HMDB48608	TG(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,28-29,33,35,54H,4-6,8-9,11-15,17-18,22,27,30-32,34,36-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,29-28-,35-33-
HMDB48609	TG(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,22,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,29-28-,35-33-,44-41-
HMDB29229	4-methoxyphenylethanol sulfate	[O-]S([O-])(=O)=O.COC1=CC=C(CCO)C=C1	InChI=1S/C9H12O2.H2O4S/c1-11-9-4-2-8(3-5-9)6-7-10;1-5(2,3)4/h2-5,10H,6-7H2,1H3;(H2,1,2,3,4)/p-2
HMDB29228	4-methyl-epicatechin	CC1[C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C(O)=C1	InChI=1S/C16H16O6/c1-7-14-12(20)5-9(17)6-13(14)22-16(15(7)21)8-2-3-10(18)11(19)4-8/h2-7,15-21H,1H3/t7?,15-,16-/m1/s1
HMDB29225	Coutaric acid	[H]OC(=O)C1=C([H])C(N([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])=C(C([H])=C1[H])N1C(=O)C([H])([H])C([H])([H])[C@]1(C([H])([H])O[H])C([H])([H])N([H])[H]	InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)/t18-/m1/s1
HMDB29224	N-methylphenylalanine	CNC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)
HMDB29227	5-hydroxy-3,3',4',7,8-pentamethoxyflavone	COC1=CC(O)=C2C(=O)C(OC)=C(OC2=C1OC)C1=CC(OC)=C(OC)C=C1	InChI=1S/C20H20O8/c1-23-12-7-6-10(8-13(12)24-2)17-20(27-5)16(22)15-11(21)9-14(25-3)18(26-4)19(15)28-17/h6-9,21H,1-5H3
HMDB29226	5'-(3'-methoxy-4'-hydroxyphenyl)-gamma-valerolactone	COC1=C(O)C=CC(CC2CCC(=O)O2)=C1	InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3
HMDB29221	lysoPC(28:1(5Z))	CCCCCCCCCCCCCCCCCCCCCC\C=C\CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C36H72NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(39)42-33-35(38)34-44-45(40,41)43-32-31-37(2,3)4/h26-27,35,38H,5-25,28-34H2,1-4H3/b27-26+/t35-/m1/s1
HMDB29220	lysoPC(26:1(5Z))	CCCCCCCCCCCCCCCCCCCC\C=C\CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C34H68NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h24-25,33,36H,5-23,26-32H2,1-4H3/b25-24+/t33-/m1/s1
HMDB29223	alpha-methylphenylalanine	CC(N)(CC1=CC=CC=C1)C(O)=O	InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
HMDB29222	Urolithin A glucuronide	OC1C(O)C(OC2=CC=C3C(OC(=O)C4=CC(O)=CC=C34)=C2)OC(C1O)C(O)=O	InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)
HMDB32348	Isoeugenyl acetate	COC1=CC(C=CC)=CC=C1OC(C)=O	InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
HMDB32349	Isoeugenyl benzyl ether	COC1=CC(C=CC)=CC=C1OCC1=CC=CC=C1	InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
HMDB32342	Isobornyl isobutyrate	CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m0/s1
HMDB32343	Isobornyl 2-methylbutyrate	CCC(C)C(=O)OC1CC2CCC1(C)C2(C)C	InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3
HMDB32340	Isoambrettolide	O=C1CCCCCCC\C=C/CCCCCCO1	InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
HMDB32341	Isoamyl isothiocyanate	CC(C)CCN=C=S	InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
HMDB32346	(+/-)-Isobutyl 3-methylthiobutyrate	CSC(C)CC(=O)OCC(C)C	InChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3
HMDB32347	Isobutyl 10-undecenoate	CC(C)COC(=O)CCCCCCCCC=C	InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h4,14H,1,5-13H2,2-3H3
HMDB32344	Isobutylene-isoprene copolymer	CC(C)=C.CC(=C)C=C	InChI=1S/C5H8.C4H8/c1-4-5(2)3;1-4(2)3/h4H,1-2H2,3H3;1H2,2-3H3
HMDB32345	Isobutyl isothiocyanate	CC(C)CN=C=S	InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
HMDB39032	trans-Grandmarin isovalerate	COC1=CC2=C(C(O)C(OC(=O)CC(C)C)C(C)(C)O2)C2=C1C=CC(=O)O2	InChI=1S/C20H24O7/c1-10(2)8-15(22)26-19-17(23)16-13(27-20(19,3)4)9-12(24-5)11-6-7-14(21)25-18(11)16/h6-7,9-10,17,19,23H,8H2,1-5H3
HMDB01518	Alpha-CEHC	CC1=C(C)C2=C(CCC(C)(CCC(O)=O)O2)C(C)=C1O	InChI=1S/C16H22O4/c1-9-10(2)15-12(11(3)14(9)19)5-7-16(4,20-15)8-6-13(17)18/h19H,5-8H2,1-4H3,(H,17,18)
HMDB01511	Phosphocreatine	CN(CC(O)=O)C(=N)NP(O)(O)=O	InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
HMDB01510	Bupropion	CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1	InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
HMDB01513	Dolichyl diphosphate	CC\C(C)=C\CCCC(C)CCOP(O)(=O)OP(O)(O)=O	InChI=1S/C12H26O7P2/c1-4-11(2)7-5-6-8-12(3)9-10-18-21(16,17)19-20(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H,16,17)(H2,13,14,15)/b11-7+
HMDB01512	Thiamine triphosphate	CC1=C(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=C(N)N=C(C)N=C1	InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1
HMDB01514	Glucosamine	N[C@@H]1C(O)O[C@@H](CO)[C@H](O)[C@H]1O	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m0/s1
HMDB01517	AICAR	NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
HMDB40439	1-(2-Furanyl)-1-octanone	CCCCCCCC(=O)C1=CC=CO1	InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
HMDB30824	Afzelechin 7-apioside	OCC1(O)COC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC=C(O)C=C2)C1O	InChI=1S/C20H22O9/c21-8-20(26)9-27-19(18(20)25)28-12-5-14(23)13-7-15(24)17(29-16(13)6-12)10-1-3-11(22)4-2-10/h1-6,15,17-19,21-26H,7-9H2
HMDB37835	4-[(2,4-Dihydroxyphenyl)azo]benzenesulfonic acid	OC1=CC(O)=C(C=C1)N=NC1=CC=C(C=C1)S(O)(=O)=O	InChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)
HMDB37834	Ethyl menthane carboxamide	CCNC(=O)C1CC(C)CCC1C(C)C	InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
HMDB37833	Ficin	F\[I]=C\[I]=N	InChI=1S/CH2FI2N/c2-3-1-4-5/h1,5H
HMDB37832	Vetiveryl acetate	CC1CC(OC(C)=O)C=C(C)C2CC(CC12)=C(C)C	InChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3
HMDB37831	xi-8-Hydroxyhexadecanedioic acid	OC(CCCCCCCC(O)=O)CCCCCCC(O)=O	InChI=1S/C16H30O5/c17-14(11-7-4-5-9-13-16(20)21)10-6-2-1-3-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)
HMDB37830	xi-7-Hydroxyhexadecanedioic acid	OC(CCCCCCCCC(O)=O)CCCCCC(O)=O	InChI=1S/C16H30O5/c17-14(11-7-5-9-13-16(20)21)10-6-3-1-2-4-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)
HMDB40431	Hexyl benzoate	CCCCCCOC(=O)C1=CC=CC=C1	InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
HMDB40430	Isopropyl hexanoate	CCCCCC(=O)OC(C)C	InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
HMDB40433	Ethyl levulinate	CCOC(=O)CCC(C)=O	InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
HMDB40432	1,1-Dimethoxyheptane	CCCCCCC(OC)OC	InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3
HMDB40435	Dictyoquinazol A	COC1=CC(CO)=C(C=C1)N1C=NC2=C(C=C(OC)C=C2)C1=O	InChI=1S/C17H16N2O4/c1-22-12-4-6-16(11(7-12)9-20)19-10-18-15-5-3-13(23-2)8-14(15)17(19)21/h3-8,10,20H,9H2,1-2H3
HMDB40434	Theogallinin	OC1CC(O)(CC(C1O)C(=O)OC1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1C1OC2=C(CC1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C2)C(O)=O	InChI=1S/C36H32O21/c37-11-3-15(38)12-6-23(57-33(50)10-1-16(39)27(45)17(40)2-10)32(55-21(12)4-11)13-5-18(41)28(46)30(48)24(13)25-22(7-19(42)29(47)31(25)49)56-34(51)14-8-36(54,35(52)53)9-20(43)26(14)44/h1-5,7,14,20,23,26,32,37-49,54H,6,8-9H2,(H,52,53)
HMDB37839	N-(1-Deoxy-1-fructosyl)histidine	OCC(O)C(O)C(O)C(=O)CNC(CC1=CNC=N1)C(O)=O.OCC1OC(O)(CNC(CC2=CNC=N2)C(O)=O)C(O)C1O.OC1COC(O)(CNC(CC2=CNC=N2)C(O)=O)C(O)C1O	InChI=1S/3C12H19N3O7/c16-8-3-22-12(21,10(18)9(8)17)4-14-7(11(19)20)1-6-2-13-5-15-6;16-3-8-9(17)10(18)12(21,22-8)4-14-7(11(19)20)1-6-2-13-5-15-6;16-4-9(18)11(20)10(19)8(17)3-14-7(12(21)22)1-6-2-13-5-15-6/h2*2,5,7-10,14,16-18,21H,1,3-4H2,(H,13,15)(H,19,20);2,5,7,9-11,14,16,18-20H,1,3-4H2,(H,13,15)(H,21,22)
HMDB40436	endo-1,4-beta-Xylanase	CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)CC2=CC=CC=C2)=CC1=O)CC1=CC=CC=C1	InChI=1S/C34H48N4O2/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3/p+2
HMDB46178	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,59H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-
HMDB46179	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-
HMDB46172	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,32,34,37,43,46,58H,4-7,10,13-16,19,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,46-43-
HMDB46173	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,32,34,37-38,41,43,46,58H,4-7,10,13-16,19,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB46170	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-8,10-11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB46171	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-8,10-11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB46176	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-6,8,11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB46177	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8,11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB46174	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,45,48,60H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,48-45-
HMDB46175	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB47801	TG(14:1(9Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,26,28,51H,4-14,16-17,20-21,23-25,27,29-50H2,1-3H3/b18-15-,22-19-,28-26-
HMDB47800	TG(14:1(9Z)/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,24,26,56H,4-14,16-17,19-23,25,27-55H2,1-3H3/b18-15-,26-24-
HMDB47803	TG(14:1(9Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,51H,4-12,14,17,19-21,23,25-50H2,1-3H3/b16-13-,18-15-,24-22-
HMDB47802	TG(14:1(9Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,31,34,50H,4-14,17,20-23,25,27-30,32-33,35-49H2,1-3H3/b18-15-,19-16-,26-24-,34-31-
HMDB47805	TG(14:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,36,39,52H,4-14,17,20-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,39-36-
HMDB47804	TG(14:1(9Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,52H,4-14,17,20-23,25,27-28,31-51H2,1-3H3/b18-15-,19-16-,26-24-,30-29-
HMDB47807	TG(14:1(9Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,32,35,54H,4-14,17,20-23,25,27,30-31,33-34,36-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,35-32-
HMDB47806	TG(14:1(9Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,54H,4-14,17,20-23,25,27-53H2,1-3H3/b18-15-,19-16-,26-24-
HMDB47809	TG(14:1(9Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,50H,4-6,8-9,11-14,17,20-23,25,27-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-
HMDB47808	TG(14:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,32,35,41,44,54H,4-14,17,20-23,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,35-32-,44-41-
HMDB42379	TG(14:0/18:1(9Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,52H,4-15,17-18,20-23,27,31-51H2,1-3H3/b19-16-,26-24-,28-25-,30-29-
HMDB49399	TG(18:1(11Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,31-32,34,37,40,59H,4-15,17-18,22,26-27,30,33,35-36,38-39,41-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,40-37-
HMDB49398	TG(18:1(11Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,34,59H,4-15,17-18,22,26-27,30-33,35-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-29-
HMDB03759	5a-Pregnane-3,20-dione	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
HMDB49396	TG(18:1(11Z)/18:2(9Z,12Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,32-33,35,57H,4-15,17-18,22,26-27,30-31,34,36-56H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-29-,35-33-
HMDB49395	TG(18:1(11Z)/18:2(9Z,12Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20-25,29,32,56H,4-12,14-15,17-19,26-28,30-31,33-55H2,1-3H3/b16-13-,23-20-,24-21-,25-22-,32-29-
HMDB49394	TG(18:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,19-22,24,26,28-29,31,35,38,55H,4-16,18,23,25,27,30,32-34,36-37,39-54H2,1-3H3/b20-17-,22-19-,24-21-,29-26-,31-28-,38-35-
HMDB49393	TG(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,28-29,31-32,56H,4-18,25-27,30,33-55H2,1-3H3/b22-19-,23-20-,24-21-,31-28-,32-29-
HMDB49392	TG(18:1(11Z)/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,36,61H,4-19,22,26-27,30-35,37-60H2,1-3H3/b23-20-,24-21-,28-25-,36-29-
HMDB49391	TG(18:1(11Z)/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,34,59H,4-19,22,26-27,30-33,35-58H2,1-3H3/b23-20-,24-21-,28-25-,34-29-
HMDB49390	TG(18:1(11Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,32-33,35,41,44,57H,4-19,22,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b23-20-,24-21-,28-25-,32-29-,35-33-,44-41-
HMDB39699	(5alpha,14alpha,24R)-14-Methylergostan-3-one	CC(C)C(C)CCC(C)C1CCC2(C)C3CCC4CC(=O)CCC4(C)C3CCC12C	InChI=1S/C29H50O/c1-19(2)20(3)8-9-21(4)24-13-16-29(7)26-11-10-22-18-23(30)12-15-27(22,5)25(26)14-17-28(24,29)6/h19-22,24-26H,8-18H2,1-7H3
HMDB39698	Isophysalin G	CC12OC(=O)C3(O)CCC4C(C=CC5=CC(O)CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3
HMDB39691	Ganolucidic acid C	CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3	InChI=1S/C30H46O7/c1-16(11-18(32)12-17(2)26(36)37)20-13-24(35)30(6)19-7-8-22-27(3,10-9-23(34)28(22,4)15-31)25(19)21(33)14-29(20,30)5/h16-17,20,22-24,31,34-35H,7-15H2,1-6H3,(H,36,37)
HMDB39690	Glycyrrhetol	CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CO)CCC3(C)CCC12C	InChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3
HMDB39693	Physagulin E	CC(C1CC(COC2OC(CO)C(O)C(O)C2O)=C(C)C(=O)O1)C1=CC(OC(C)=O)C2(O)C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C36H50O14/c1-16-19(15-47-32-30(43)29(42)28(41)24(14-37)50-32)11-23(49-31(16)44)17(2)21-13-27(48-18(3)38)36(46)22-12-26(40)35(45)9-6-7-25(39)34(35,5)20(22)8-10-33(21,36)4/h6-7,13,17,20,22-24,26-30,32,37,40-43,45-46H,8-12,14-15H2,1-5H3
HMDB39692	20,24-Epoxy-25,26-dihydroxydammaran-3-one	CC(O)(CO)C1CCC(C)(O1)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC21C	InChI=1S/C30H50O4/c1-25(2)21-11-16-28(5)22(26(21,3)14-12-23(25)32)9-8-19-20(10-15-27(19,28)4)30(7)17-13-24(34-30)29(6,33)18-31/h19-22,24,31,33H,8-18H2,1-7H3
HMDB39695	4,7-Didehydroneophysalin B	CC12OC(=O)C3(O)CCC4C(C=CC5=CC=CC(=O)C45C)C45OCC6C(=O)OC1CC6(C)C4C23OC5=O	InChI=1S/C28H28O9/c1-23-11-18-25(3)28-20(23)27(22(32)37-28,34-12-16(23)19(30)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)21(31)36-25/h4-8,14-16,18,20,33H,9-12H2,1-3H3
HMDB39694	Physagulin G	CC(C1CC(COC2OC(CO)C(O)C(O)C2O)=C(C)C(=O)O1)C12OC1C(OC(C)=O)C1(O)C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC21C	InChI=1S/C36H50O15/c1-15-18(14-47-31-27(43)26(42)25(41)22(13-37)50-31)11-21(49-30(15)44)16(2)36-29(51-36)28(48-17(3)38)35(46)20-12-24(40)34(45)9-6-7-23(39)33(34,5)19(20)8-10-32(35,36)4/h6-7,16,19-22,24-29,31,37,40-43,45-46H,8-14H2,1-5H3
HMDB39697	Isophysalin B	CC12OC(=O)C3(O)CCC4C(CC=C5C=CCC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4-5,7,14-16,18-19,33H,6,8-12H2,1-3H3
HMDB39696	25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A	CC1C(=O)OC2CC1(C)C1C3(O)C4C=CC5=CC=CC(=O)C5(C)C4CCC4(O)C(=O)OC2(C)C14OC3=O	InChI=1S/C28H30O9/c1-13-19(30)35-18-12-23(13,2)20-27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)21(31)36-25(18,4)28(20,26)37-22(27)32/h5-9,13,15-16,18,20,33-34H,10-12H2,1-4H3
HMDB31068	Isopalmitic acid	CC(C)CCCCCCCCCCCCC(O)=O	InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
HMDB31069	Isopentacosane	CCCCCCCCCCCCCCCCCCCCCCC(C)C	InChI=1S/C25H52/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3/h25H,4-24H2,1-3H3
HMDB31062	(Z)-3-Methyl-3-decenoic acid	CCCCCC\C=C(\C)CC(O)=O	InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h8H,3-7,9H2,1-2H3,(H,12,13)/b10-8-
HMDB31063	(Z)-3-Methyl-4-decenoic acid	CCCCC\C=C/C(C)CC(O)=O	InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-8,10H,3-6,9H2,1-2H3,(H,12,13)/b8-7-
HMDB31060	(R)-2-Hydroxysterculic acid	CCCCCCCCC1=C(CCCCCCC(O)C(O)=O)C1	InChI=1S/C19H34O3/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(20)19(21)22/h18,20H,2-15H2,1H3,(H,21,22)
HMDB31061	10-Hydroxytetradecanoic acid, 9CI; Me ester	CCCCC(O)CCCCCCCCC(=O)OC	InChI=1S/C15H30O3/c1-3-4-11-14(16)12-9-7-5-6-8-10-13-15(17)18-2/h14,16H,3-13H2,1-2H3
HMDB31066	16-Methylheptadecanoic acid	CC(C)CCCCCCCCCCCCCCC(O)=O	InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
HMDB31067	(S)-14-Methylhexadecanoic acid	CCC(C)CCCCCCCCCCCCC(O)=O	InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
HMDB31064	(Z)-3-Methyl-3-decen-1-ol	CCCCCC\C=C(\C)CCO	InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h8,12H,3-7,9-10H2,1-2H3/b11-8-
HMDB31065	()-(E)-3-Methyl-4-decen-1-ol	CCCCC\C=C\C(C)CCO	InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
HMDB44440	TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,40,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-
HMDB44441	TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,40,42,45,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB44442	TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-39,41-42,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,40,43-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB44443	TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-39,41-42,47,50,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-
HMDB44444	TG(16:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,38,57H,4-15,17-18,20-24,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,27-25-,31-30-,38-35-
HMDB44445	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,33,36,42,45,54H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,26-25-,29-28-,36-33-,45-42-
HMDB44446	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,35,38,44,47,56H,4-15,17-18,20-24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,27-25-,30-29-,38-35-,47-44-
HMDB44447	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,40,46,49,58H,4-15,17-18,20-24,26,28-29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,27-25-,32-30-,40-37-,49-46-
HMDB44448	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,39,42,48,51,60H,4-16,18-19,21-25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,28-26-,34-32-,42-39-,51-48-
HMDB44449	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,41,44,50,53,62H,4-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,28-26-,36-33-,44-41-,53-50-
HMDB36878	1,4-Epidioxy-p-mentha-2,8-diene	CC(=C)C12CCC(C)(OO1)C=C2	InChI=1S/C10H14O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6H,1,5,7H2,2-3H3
HMDB36879	1,2:3,4-Diepoxy-p-menth-8-ene	CC(=C)C12CCC3(C)OC3C1O2	InChI=1S/C10H14O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h7-8H,1,4-5H2,2-3H3
HMDB36874	Alloxanthin	C\C(\C=C\C=C(/C)C#CC1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C	InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+
HMDB36875	Phytoene 1,2-epoxide	CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC1OC1(C)C	InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,18-20,24-26,29,39H,13-17,21-23,27-28,30-31H2,1-10H3/b12-11+,33-19+,34-20+,35-24-,36-25-,37-26+,38-29-
HMDB36876	Auroxanthin	C\C(\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1)=C/C=C\C=C(/C)\C=C/C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C40H56O4/c1-27(17-13-19-29(3)33-21-35-37(5,6)23-31(41)25-39(35,9)43-33)15-11-12-16-28(2)18-14-20-30(4)34-22-36-38(7,8)24-32(42)26-40(36,10)44-34/h11-22,31-34,41-42H,23-26H2,1-10H3/b12-11-,17-13-,18-14+,27-15+,28-16+,29-19-,30-20-
HMDB36877	Aurochrome	C\C(\C=C\C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1)=C/C=C\C=C(/C)\C=C/C=C(/C)C1OC2(C)CCCC(C)(C)C2=C1	InChI=1S/C40H56O2/c1-29(19-13-21-31(3)33-27-35-37(5,6)23-15-25-39(35,9)41-33)17-11-12-18-30(2)20-14-22-32(4)34-28-36-38(7,8)24-16-26-40(36,10)42-34/h11-14,17-22,27-28,33-34H,15-16,23-26H2,1-10H3/b12-11-,19-13-,20-14+,29-17+,30-18+,31-21-,32-22-
HMDB36870	Cryptoflavin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1	InChI=1S/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+
HMDB36871	Mytiloxanthin	C\C(\C=C\C=C(/C)C#CC1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C(/O)=C/C(=O)C1(C)CC(O)CC1(C)C	InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-
HMDB36872	7,8-Dehydroastaxanthianthin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)C#CC1=C(C)C(=O)C(O)CC1(C)C	InChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15-,28-16+,29-19+,30-20-
HMDB36873	Heteroxanthin	C\C(\C=C\C=C(/C)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-20,23-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+
HMDB39529	2-O-(4,7,10,13,16,19-Docosahexaenoyl)-1-O-hexadecylglycero-3-phosphocholine	CCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b10-8+,16-14+,22-20+,25-24+,29-27+,35-33+
HMDB39528	2-O-(5,8,11,14,17-Eicosapentaenoyl)-1-O-hexadecylglycero-3-phosphocholine	CCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b10-8+,16-14+,22-20+,25-24+,31-29+
HMDB39527	1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-phosphocholine	CCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\C\C=C\C\C=C\CCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/b16-14+,22-20+,25-24+
HMDB39526	Sarafloxacin	OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=C(C=C(F)C(=C2)N2CCNCC2)C1=O	InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)
HMDB39525	Dihydro-alpha-santalic acid	CC(CCCC1(C)C2CC3C(C2)C13C)C(O)=O	InChI=1S/C15H24O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h9-12H,4-8H2,1-3H3,(H,16,17)
HMDB39524	Diethyl trisulfide	CCSSSCC	InChI=1S/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3
HMDB39523	Isomelitric acid A	OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC=C(O)C(O\C(=C/C2=CC(O)=C(O)C=C2)C(O)=O)=C1	InChI=1S/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-
HMDB39522	Linalyl acetate	CC(C)=CCCC(C)(OC(C)=O)C=C	InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
HMDB39521	N-(p-Hydroxyphenyl)ethyl p-hydroxycinnamide	OC1=CC=C(CCNC(=O)\C=C\C2=CC=C(O)C=C2)C=C1	InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+
HMDB39520	12-Oleanene-3,22,24-triol; (3b,22b)-form, 24-O-b-D-Glucopyranoside	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5CCC34C)C2C1	InChI=1S/C36H60O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-25(38)34(5,19-43-30-29(42)28(41)27(40)22(18-37)44-30)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)26(39)17-31/h8,21-30,37-42H,9-19H2,1-7H3
HMDB34582	Shoyuflavone A	OC(C(OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C19H14O9/c20-10-3-1-9(2-4-10)13-8-27-14-7-11(5-6-12(14)15(13)21)28-17(19(25)26)16(22)18(23)24/h1-8,16-17,20,22H,(H,23,24)(H,25,26)
HMDB34583	Secaloside C	COC1=CC(=CC=C1O)C1C2C(C3=CC(O)=C(OC4OC(COC(=O)CC5C(=O)NC6=C5C=CC=C6)C(O)C(O)C4O)C=C13)C(=O)OC1C(O)C(COC2=O)OC1(CO)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C52H61NO29/c1-72-25-8-17(6-7-23(25)56)32-20-10-26(76-50-43(67)40(64)36(60)28(78-50)13-73-31(58)11-21-18-4-2-3-5-22(18)53-46(21)69)24(57)9-19(20)33-34(32)47(70)74-15-30-38(62)45(80-48(33)71)52(16-55,81-30)82-51-44(68)41(65)37(61)29(79-51)14-75-49-42(66)39(63)35(59)27(12-54)77-49/h2-10,21,27-30,32-45,49-51,54-57,59-68H,11-16H2,1H3,(H,53,69)
HMDB34580	psi-Pelletierine	CN1C2CCCC1CC(=O)C2	InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
HMDB34581	2-Hexenyl butanoate	CCC\C=C\COC(=O)CCC	InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
HMDB34586	(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid	CCC(O)\C=C\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,13,15,17,19H,2,4,6-8,10,12,14,16H2,1H3,(H,20,21)/b5-3-,11-9-,15-13+
HMDB34587	1-Pyrrolidinecarboxaldehyde	O=CN1CCCC1	InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
HMDB34584	3,4-Epoxy-1,5,8-trihydroxy-7(14),10-bisaboladien-2-one; (1S,3S,4S,5R,6x,8x)-form, 8-Angeloyl, 1,5-di-Ac	C\C=C(\C)C(=O)OC(CC=C(C)C)C(=C)C1C(OC(C)=O)C2OC2(C)C(=O)C1OC(C)=O	InChI=1S/C24H32O8/c1-9-13(4)23(28)31-17(11-10-12(2)3)14(5)18-19(29-15(6)25)21(27)24(8)22(32-24)20(18)30-16(7)26/h9-10,17-20,22H,5,11H2,1-4,6-8H3/b13-9-
HMDB34585	Schizotenuin F	COC(=O)C(\OC1=CC=C(\C=C\C(=O)OC(CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1O)=C\C1=CC=C(O)C(O)=C1	InChI=1S/C28H24O12/c1-38-28(37)25(14-17-3-7-19(30)21(32)12-17)39-23-8-4-15(10-22(23)33)5-9-26(34)40-24(27(35)36)13-16-2-6-18(29)20(31)11-16/h2-12,14,24,29-33H,13H2,1H3,(H,35,36)/b9-5+,25-14-
HMDB34588	3-O-Caffeoylquinic acid; (E)-form, Butyl ester	CCCCOC(=O)C1(O)CC(O)C(O)C(C1)OC(=O)\C=C/C1=CC(O)=C(O)C=C1	InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5-
HMDB34589	Shoyuflavone B	OC(C(OC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C19H14O10/c20-9-3-1-8(2-4-9)11-7-28-13-6-10(5-12(21)14(13)15(11)22)29-17(19(26)27)16(23)18(24)25/h1-7,16-17,20-21,23H,(H,24,25)(H,26,27)
HMDB55818	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,38,41,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-37,39-40,42-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,41-38-
HMDB59534	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-50,57-58,61-62,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t80-,81-/m1/s1
HMDB59532	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,69-70,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB37589	19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside	CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(OC3OC(CO)C(O)C(O)C3O)C3=COC=C3)C22OC2C(O)=O)C1(CO)C(O)CC(O)=O	InChI=1S/C32H46O16/c1-28(2,44)17-9-18(35)30(4)16(31(17,13-34)19(36)10-20(37)38)5-7-29(3,32(30)25(48-32)26(42)43)24(14-6-8-45-12-14)47-27-23(41)22(40)21(39)15(11-33)46-27/h6,8,12,15-17,19,21-25,27,33-34,36,39-41,44H,5,7,9-11,13H2,1-4H3,(H,37,38)(H,42,43)
HMDB37588	Gancaonin R	CC(C)=CCC1=C(CCC2=CC(O)=C(O)C=C2)C(CC=C(C)C)=C(O)C=C1O	InChI=1S/C24H30O4/c1-15(2)5-9-19-18(11-7-17-8-12-21(25)24(28)13-17)20(10-6-16(3)4)23(27)14-22(19)26/h5-6,8,12-14,25-28H,7,9-11H2,1-4H3
HMDB37587	Gancaonin U	CC(C)=CCC1=C(O)C2=C(CCC3=C2C=C(O)C(O)=C3)C(CC=C(C)C)=C1O	InChI=1S/C24H28O4/c1-13(2)5-8-17-16-10-7-15-11-20(25)21(26)12-19(15)22(16)24(28)18(23(17)27)9-6-14(3)4/h5-6,11-12,25-28H,7-10H2,1-4H3
HMDB37586	Gancaonin V	CC(C)=CCC1=C(O)C=C(O)C2=C1CCC1=C2C=C(O)C(O)=C1	InChI=1S/C19H20O4/c1-10(2)3-5-12-13-6-4-11-7-16(21)17(22)8-14(11)19(13)18(23)9-15(12)20/h3,7-9,20-23H,4-6H2,1-2H3
HMDB37585	Selinone	CC(C)=CCOC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C20H20O5/c1-12(2)7-8-24-15-5-3-13(4-6-15)18-11-17(23)20-16(22)9-14(21)10-19(20)25-18/h3-7,9-10,18,21-22H,8,11H2,1-2H3
HMDB37584	Narirutin 4'-glucoside	[H]OC1=C([H])C(OC2([H])OC([H])(C([H])([H])OC3([H])OC([H])(C([H])([H])[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])=C([H])C2=C1C(=O)C([H])([H])C([H])(O2)C1=C([H])C([H])=C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C([H])=C1[H]	InChI=1S/C33H42O19/c1-11-22(37)25(40)28(43)31(47-11)46-10-20-24(39)27(42)30(45)33(52-20)49-14-6-15(35)21-16(36)8-17(50-18(21)7-14)12-2-4-13(5-3-12)48-32-29(44)26(41)23(38)19(9-34)51-32/h2-7,11,17,19-20,22-35,37-45H,8-10H2,1H3
HMDB37583	6''-p-Coumaroylprunin	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C1O	InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+
HMDB37582	Prunin 6''-O-gallate	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C1O	InChI=1S/C28H26O14/c29-13-3-1-11(2-4-13)19-9-16(31)22-15(30)7-14(8-20(22)41-19)40-28-26(37)25(36)24(35)21(42-28)10-39-27(38)12-5-17(32)23(34)18(33)6-12/h1-8,19,21,24-26,28-30,32-37H,9-10H2
HMDB37581	4',5,7-Trihydroxyflavanone; (S)-form, 5-O-a-L-Rhamnopyranoside	C[C@@H]1O[C@@H](OC2=CC(O)=CC3=C2C(=O)C[C@H](O3)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3/t9-,14-,18-,19+,20+,21-/m0/s1
HMDB37580	3,5,7-Trihydroxyflavone, 8CI; 3-O-[b-D-Galactopyranosyl-(1-&gt;4)-a-L-rhamnopyranoside]	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3
HMDB37055	Istanbulin A	CC1CCC(=O)C2CC3(O)OC(=O)C(C)=C3CC12C	InChI=1S/C15H20O4/c1-8-4-5-12(16)11-7-15(18)10(6-14(8,11)3)9(2)13(17)19-15/h8,11,18H,4-7H2,1-3H3
HMDB37054	Katononic acid	CC1(C)C2CCC3(C)C(CC=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1=O	InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-22H,9-18H2,1-7H3,(H,32,33)
HMDB37057	Ethiin	CCS(=O)CC(N)C(O)=O	InChI=1S/C5H11NO3S/c1-2-10(9)3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
HMDB37056	8-Oxodiacetoxyscirpenol	CC(=O)OCC12CC(=O)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C11CO1	InChI=1S/C19H24O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,13-16,23H,6-8H2,1-4H3
HMDB37051	1-Isopropyl-3-methylbenzene	CC(C)C1=CC=CC(C)=C1	InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
HMDB37050	1-Isopropyl-2-methylbenzene	CC(C)C1=CC=CC=C1C	InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
HMDB37053	Cymbopogone	CC(C)C1CCC2(C)CCC3(C)C4CCC5(C)C(C)C(=O)CCC5C4(C)CCC3(C)C12	InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19-21,23-25H,9-18H2,1-8H3
HMDB37052	Betanidin; 5-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;5)-b-D-apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	COC1=C(O)C=CC(\C=C\C(=O)OCC2(O)COC(OC3C(O)C(O)C(CO)OC3OC3=C(O)C=C4C(CC(C([O-])=O)\[N+]4=C/C=C4\CC(NC(=C4)C(O)=O)C(O)=O)=C3)C2O)=C1	InChI=1S/C39H42N2O20/c1-56-26-10-17(2-4-24(26)43)3-5-29(45)57-15-39(55)16-58-38(33(39)48)61-32-31(47)30(46)28(14-42)60-37(32)59-27-12-19-11-23(36(53)54)41(22(19)13-25(27)44)7-6-18-8-20(34(49)50)40-21(9-18)35(51)52/h2-8,10,12-13,21,23,28,30-33,37-38,42,46-48,55H,9,11,14-16H2,1H3,(H5,43,44,45,49,50,51,52,53,54)
HMDB37059	1alpha-Hydroxyarbusculin A	CC1(O)CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12	InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3
HMDB37058	Thiazopyr	COC(=O)C1=C(N=C(C(C2=NCCS2)=C1CC(C)C)C(F)(F)F)C(F)F	InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3
HMDB08468	PC(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29,31,44H,6-7,9,11-13,18-19,23,27-28,30,32-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-/t44-/m1/s1
HMDB08469	PC(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,44H,6-7,12-13,18-19,23,27-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,26-25-/t44-/m1/s1
HMDB08462	PC(20:4(8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,42H,6-7,9,11-13,15,17-19,22,24,26-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-/t42-/m1/s1
HMDB08463	PC(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23,25,42H,6-7,9,11-13,15,18,22,24,26-41H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,25-23-/t42-/m1/s1
HMDB08460	PC(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,40H,6-7,9,11-12,17-18,21,24-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-/t40-/m1/s1
HMDB08461	PC(20:4(8Z,11Z,14Z,17Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,41H,6-7,9,11-13,15,17-19,22,25-40H2,1-5H3/b10-8-,16-14-,21-20-,24-23-/t41-/m1/s1
HMDB08466	PC(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,44H,6-7,9,11-13,15,17-19,23,27-43H2,1-5H3/b10-8-,16-14-,22-20-,24-21-,26-25-/t44-/m1/s1
HMDB08467	PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,44H,6-7,9,11-13,18-19,23,27-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,26-25-/t44-/m1/s1
HMDB08464	PC(20:4(8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,44H,6-7,9,11-13,15,17-19,21,23-24,27-43H2,1-5H3/b10-8-,16-14-,22-20-,26-25-/t44-/m1/s1
HMDB08465	PC(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,44H,6-7,9,11-13,15,18,21,23-24,27-43H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-/t44-/m1/s1
HMDB52858	TG(18:3(6Z,9Z,12Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,51H,4-16,18-19,21-24,26,28-31,33,35-50H2,1-3H3/b20-17-,27-25-,34-32-
HMDB52859	TG(18:3(6Z,9Z,12Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32-35,51H,4-15,18,21-24,29-31,36-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,35-33-
HMDB48271	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,52H,4-6,9,12-14,21-23,27,31-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-
HMDB52850	TG(18:3(6Z,9Z,12Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,35-37,54H,4-15,18,21-23,27,31-32,34,38-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-
HMDB52851	TG(18:3(6Z,9Z,12Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,35-37,41,44,54H,4-15,18,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-
HMDB52852	TG(18:3(6Z,9Z,12Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,32,34,50H,4-6,8-9,11-15,18,21-23,28-31,33,35-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,34-32-
HMDB48270	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,31,34,50H,4-6,9,12-14,21-23,28-30,32-33,35-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-
HMDB52854	TG(18:3(6Z,9Z,12Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,33,35,52H,4-6,8-9,11-15,18,21-23,27,30,32,34,36-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-
HMDB52855	TG(18:3(6Z,9Z,12Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,33,35-36,39,52H,4-6,8-9,11-15,18,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB52856	TG(18:3(6Z,9Z,12Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,35-37,54H,4-6,8-9,11-15,18,21-23,27,31-32,34,38-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-
HMDB52857	TG(18:3(6Z,9Z,12Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,35-37,41,44,54H,4-6,8-9,11-15,18,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-
HMDB01458	Biotin amide	[H][C@@]12CS[C@H](CCCCC(N)=O)[C@]1([H])NC(=O)N2	InChI=1S/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)/t6-,7-,9-/m1/s1
HMDB01459	Guanosine triphosphate adenosine	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H](C(O)C3O)N3C=NC4=C3N=CN=C4N)C(O)C2O)C(=O)N1	InChI=1S/C20H27N10O17P3/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(44-18)1-42-48(36,37)46-50(40,41)47-49(38,39)43-2-7-11(32)13(34)19(45-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10?,11?,12?,13?,18-,19-/m1/s1
HMDB55879	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,40-45,64H,4-6,13-15,22-24,31-32,35,38-39,46-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-
HMDB55878	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,36,39-40,43,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-
HMDB54009	TG(20:3n6/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42,45,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB52588	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-35,37,39-40,42,46,49,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,36,38,41,43-45,47-48,50-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-
HMDB52589	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-35,37,39-40,42,46,48-49,51,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,36,38,41,43-45,47,50,52-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-,51-48-
HMDB52586	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33-35,37-38,44,47,59H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,36,39-43,45-46,48-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,47-44-
HMDB52587	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33-35,37-38,43-44,46-47,59H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,36,39-42,45,48-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-
HMDB52584	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-33,36,42,45,57H,4-8,10-11,13-17,19,22,24,26,30,34-35,37-41,43-44,46-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,45-42-
HMDB52585	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-33,36-37,40,42,45,57H,4-8,10-11,13-17,19,22,24,26,30,34-35,38-39,41,43-44,46-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-,45-42-
HMDB52582	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-35,37,39-40,42,46,49,61H,4-15,17-18,20,22-23,27,31,33,36,38,41,43-45,47-48,50-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-
HMDB52583	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-35,37,39-40,42,46,48-49,51,61H,4-15,17-18,20,22-23,27,31,33,36,38,41,43-45,47,50,52-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-,51-48-
HMDB52580	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33-35,37-38,43-44,46-47,59H,4-15,17-18,20,22-23,27,31-32,36,39-42,45,48-58H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-
HMDB52581	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,35,37,40,46,49,61H,4-15,17-18,20,22-23,27,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-30-,40-37-,49-46-
HMDB55872	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,50,53,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-49,51-52,54-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,53-50-
HMDB32779	Jujuboside A1	CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3
HMDB01453	Thiocyanate	[S-]C#N	InChI=1S/CHNS/c2-1-3/h3H/p-1
HMDB55877	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,39-40,42-44,47-48,51,62H,4-6,13-15,22-24,30-31,37-38,41,45-46,49-50,52-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-
HMDB55876	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,39-40,42-44,47,62H,4-6,13-15,22-24,30-31,37-38,41,45-46,48-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-
HMDB55813	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,39-40,42-43,62H,4-6,9,12-15,18,21-24,27,30-31,36-38,41,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-
HMDB54002	TG(20:3n6/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42,45,59H,4-15,18,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB51602	TG(22:1(13Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,64H,4-15,17-18,20-24,31-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-
HMDB54007	TG(20:3n6/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,35,37,40,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-
HMDB54006	TG(20:3n6/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,35,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33-34,36-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,35-32-
HMDB58409	CL(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-37,40-44,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB58408	CL(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-37,40-44,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,38-39,45-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58401	CL(18:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58400	CL(18:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-39,44,46,54,58,75-77,82H,5-20,22-24,26,29-30,36,40-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB58403	CL(18:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-37,40-44,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,38-39,45-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58402	CL(18:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-41,45,48,56,60,77-79,84H,5-20,22-24,26-27,29-31,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58405	CL(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,44,46,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-44-/t75?,76-,77-/m1/s1
HMDB58404	CL(18:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-37,40-44,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,38-39,45-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB58407	CL(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-/t77?,78-,79-/m1/s1
HMDB58406	CL(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,45,48,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-/t77?,78-,79-/m1/s1
HMDB55815	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,36,39,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-35,37-38,40-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,39-36-
HMDB15488	Antrafenine	FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1	InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)
HMDB30967	2,4,6-Octatriynoic acid	CC#CC#CC#CC(O)=O	InChI=1S/C8H4O2/c1-2-3-4-5-6-7-8(9)10/h1H3,(H,9,10)
HMDB15483	Cefepime	CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1	InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1
HMDB15480	Ciclesonide	[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(O2)C1CCCCC1)C(=O)COC(=O)C(C)C	InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29?,30-,31-,32+/m0/s1
HMDB15481	Pranlukast	O=C(NC1=CC2=C(C=C1)C(=O)C=C(O2)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1	InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32)
HMDB15486	Cefpodoxime	[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1
HMDB15487	Acenocoumarol	CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O	InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
HMDB15484	Cefacetrile	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O	InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
HMDB15485	Ceftibuten	[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1
HMDB14611	Quinine	[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
HMDB12143	2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin	NC1=NC2=C(N(O)C(O)(C(O)C(O)CO)C(O)N2O)C(=O)N1	InChI=1S/C9H15N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2,4,7,15-17,19-22H,1H2,(H3,10,11,12,18)
HMDB12140	(R) 2,3-Dihydroxy-3-methylvalerate	CC[C@@](C)(O)[C@@H](O)C(O)=O	InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1
HMDB12141	(R)-2,3-Dihydroxy-isovalerate	CC(C)(O)[C@@H](O)C(O)=O	InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1
HMDB12146	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol	COC1=C(O)C(O)=C(C)C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O	InChI=1S/C38H58O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,39-41H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17-,29-19+,30-21+,31-23+,32-25-
HMDB12147	2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinol	COC1=CC(O)=C(C)C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O	InChI=1S/C38H58O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27,39-40H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17-,30-19+,31-21+,32-23+,33-25-
HMDB12144	2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin	NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1	InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18)
HMDB12145	2-Carboxymethyl-3-hydroxyphenylpropionyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(O)C1=CC=CC=C1	InChI=1S/C32H46N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,23-26,30,43-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18?,19-,23?,24-,25-,26?,30-/m1/s1
HMDB12148	2-Hexaprenyl-6-methoxy-1,4-benzoquinol	COC1=CC(O)=CC(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O	InChI=1S/C37H56O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27,38-39H,9-13,15,17,19,21,23,25H2,1-8H3/b29-16-,30-18+,31-20+,32-22+,33-24-
HMDB12149	2-Isopropyl-3-oxosuccinate	CC(C)[C@H](C(O)=O)C(=O)C(O)=O	InChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/t4-/m0/s1
HMDB57266	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,41,44,47-48,50-52,54,59-60,62-64,66,83-85,90H,5-20,24,28-32,36,40,42-43,45-46,49,53,55-58,61,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB53062	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-22,26-31,36,39,55H,4-7,9-10,12-16,23-25,32-35,37-38,40-54H2,1-3H3/b11-8-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,39-36-
HMDB53063	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-22,26-31,35-36,38-39,55H,4-7,9-10,12-16,23-25,32-34,37,40-54H2,1-3H3/b11-8-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-,39-36-
HMDB53060	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-34,37,39-40,42,59H,4-15,17,22,24,26,30,35-36,38,41,43-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,42-39-
HMDB53061	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-34,37,39-40,42,46,49,59H,4-15,17,22,24,26,30,35-36,38,41,43-45,47-48,50-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,42-39-,49-46-
HMDB53066	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-34,37,39-40,42,59H,4-6,8-9,11-15,17,22,24,26,30,35-36,38,41,43-58H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,42-39-
HMDB53067	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-34,37,39-40,42,46,49,59H,4-6,8-9,11-15,17,22,24,26,30,35-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,42-39-,49-46-
HMDB53064	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-33,35,37,40,57H,4-6,8-9,11-15,17,22,24,26,30,34,36,38-39,41-56H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-
HMDB53065	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-33,35,37,40-41,44,57H,4-6,8-9,11-15,17,22,24,26,30,34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-,44-41-
HMDB57260	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB53068	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h18-19,21-22,27-28,30-31,36,39,56H,4-17,20,23-26,29,32-35,37-38,40-55H2,1-3H3/b21-18-,22-19-,30-27-,31-28-,39-36-
HMDB53069	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,54H,4-15,22-24,31-33,40-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB57261	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,44-46,48-50,56-58,60-62,81-83,88H,5-20,24,28-32,36,40-43,47,51-55,59,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,48-44-,49-45-,50-46-,60-56-,61-57-,62-58-/t81?,82-,83-/m1/s1
HMDB57263	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-35,37-39,41,44,46-47,50-52,56,58-59,62-63,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,48-49,53-55,57,60-61,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-/t83?,84-,85-/m1/s1
HMDB05960	D-Pipecolic acid	OC(=O)[C@H]1CCCCN1	InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
HMDB05962	Dehydroandrosterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](O)CC[C@]12C	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
HMDB51635	TG(22:1(13Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,47,50,64H,4-17,19-20,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB51634	TG(22:1(13Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,64H,4-17,19-20,22-24,31-37,39-40,42-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-
HMDB51639	TG(22:1(13Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-
HMDB51638	TG(22:1(13Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,43,46,52,55,66H,4-15,17-18,20-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB43949	TG(16:0/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,54H,4-25,27-28,30-53H2,1-3H3/b29-26-
HMDB11551	MG(0:0/22:0/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h24,26-27H,2-23H2,1H3
HMDB11495	LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h3-4,6-7,9-10,12-13,15-16,26,29H,2,5,8,11,14,17-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-/t26-/m1/s1
HMDB11494	LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,12-13,15-16,18-19,26,29H,2-5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1
HMDB11497	LysoPE(0:0/24:0)	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C29H60NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30/h28,31H,2-27,30H2,1H3,(H,33,34)/t28-/m1/s1
HMDB11496	LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,29H,2,5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1
HMDB11491	LysoPE(0:0/22:1(13Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C27H54NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h9-10,26,29H,2-8,11-25,28H2,1H3,(H,31,32)/b10-9-/t26-/m1/s1
HMDB11490	LysoPE(0:0/22:0)	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C27H56NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h26,29H,2-25,28H2,1H3,(H,31,32)/t26-/m1/s1
HMDB11493	LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-/t26-/m1/s1
HMDB11492	LysoPE(0:0/22:2(13Z,16Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C27H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,26,29H,2-5,8,11-25,28H2,1H3,(H,31,32)/b7-6-,10-9-/t26-/m1/s1
HMDB11499	LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C29H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30/h3-4,6-7,9-10,12-13,15-16,18-19,28,31H,2,5,8,11,14,17,20-27,30H2,1H3,(H,33,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t28-/m1/s1
HMDB11498	LysoPE(0:0/24:1(15Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C29H58NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30/h9-10,28,31H,2-8,11-27,30H2,1H3,(H,33,34)/b10-9-/t28-/m1/s1
HMDB40954	4,9-Dihydroxy-10(14)-oplopen-3-one; (4S,9a)-form, 9-(3-Methyl-2E-pentenoyl)	CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)O)C1=C	InChI=1S/C21H32O4/c1-7-12(4)8-19(24)25-18-10-15(11(2)3)21-16(13(18)5)9-17(23)20(21)14(6)22/h8,11,14-16,18,20-22H,5,7,9-10H2,1-4,6H3/b12-8+
HMDB11729	1-Kestose	OC[C@H]1O[C@@](CO)(OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1
HMDB11728	Bradykinin hydroxyproline	N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	InChI=1S/C50H73N15O12/c51-32(15-7-19-56-49(52)53)45(73)64-22-10-18-38(64)47(75)65-27-31(67)25-39(65)43(71)58-26-40(68)59-34(23-29-11-3-1-4-12-29)41(69)62-36(28-66)46(74)63-21-9-17-37(63)44(72)61-35(24-30-13-5-2-6-14-30)42(70)60-33(48(76)77)16-8-20-57-50(54)55/h1-6,11-14,31-39,66-67H,7-10,15-28,51H2,(H,58,71)(H,59,68)(H,60,70)(H,61,72)(H,62,69)(H,76,77)(H4,52,53,56)(H4,54,55,57)/t31-,32+,33+,34+,35+,36+,37+,38+,39+/m1/s1
HMDB11723	2-Methylhippuric acid	CC1=CC=CC=C1C(=O)NCC(O)=O	InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
HMDB11721	Trans-2, 3, 4-Trimethoxycinnamate	COC1=CC=C(\C=C\C(O)=O)C(OC)=C1OC	InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5+
HMDB11720	UDP-N-acetylmuraminate	CC(OC1C(O)C(CO)OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C1NC(C)=O)C(O)=O	InChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)
HMDB11727	Bicine	OCCN(CCO)CC(O)=O	InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
HMDB11725	5-Sulfosalicylic acid	OC(=O)C1=C(O)C=CC(=C1)S(O)(=O)=O	InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
HMDB11724	4-Hydroxybenzyl alcohol	OCC1=CC=C(O)C=C1	InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
HMDB52009	TG(24:1(15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-
HMDB52008	TG(24:1(15Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-
HMDB55059	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51-
HMDB55058	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,51,54,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,54-51-
HMDB46802	TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-8,10-11,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB52003	TG(24:1(15Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,68H,4-16,18-19,21-24,27,30-67H2,1-3H3/b20-17-,28-25-,29-26-
HMDB52002	TG(24:1(15Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-
HMDB52001	TG(24:1(15Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-
HMDB52000	TG(24:1(15Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,65H,4-14,16-17,19-23,26,29-64H2,1-3H3/b18-15-,27-24-,28-25-
HMDB52007	TG(24:1(15Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,44,47,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-,47-44-
HMDB52006	TG(24:1(15Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-
HMDB52005	TG(24:1(15Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,54,57,68H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-,57-54-
HMDB52004	TG(24:1(15Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,68H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-
HMDB57743	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1
HMDB57742	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,36-38,41-45,50-51,54-55,62,66,82-84,89H,5-9,11-13,15-20,23-24,29-30,35,39-40,46-49,52-53,56-61,63-65,67-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,66-62-/t82?,83-,84-/m1/s1
HMDB57741	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-38,41-45,50-51,54-55,62-63,66-67,82-84,89H,5-20,23-24,29-30,35,39-40,46-49,52-53,56-61,64-65,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,66-62-,67-63-/t82?,83-,84-/m1/s1
HMDB57740	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)101-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-43,48,52,60,64,79-81,86H,5-20,22-24,29,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57747	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,28-30,32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57746	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-38,41-42,44-46,50-52,55-56,58,62-63,67,83-85,90H,5-9,11-13,15-20,24,29-31,39-40,43,47-49,53-54,57,59-61,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-,67-63-/t83?,84-,85-/m1/s1
HMDB57745	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,41-42,44-46,50-52,55-56,58,62-64,67-68,83-85,90H,5-20,24,29-31,39-40,43,47-49,53-54,57,59-61,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB57744	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,40,43-45,48-50,54,56-57,60-62,66,81-83,88H,5-20,24,29-31,39,41-42,46-47,51-53,55,58-59,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB57749	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57748	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB52639	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-33,35,39,42,57H,4-15,17,22,24,26,30,34,36-38,40-41,43-56H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-
HMDB44235	TG(16:0/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,39,42,58H,4-16,18-19,21-24,28-32,34-38,40-41,43-57H2,1-3H3/b20-17-,27-25-,33-26-,42-39-
HMDB10458	TG(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,54H,4-15,17-18,20,22-23,27,30-53H2,1-3H3/b19-16-,24-21-,28-25-,29-26-/t54-/m0/s1
HMDB10459	TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,54H,4-15,17-18,20-24,31-33,35-36,38-53H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-/t54-/m0/s1
HMDB10452	TG(18:1(9Z)/16:0/20:2(11Z,14Z))[iso6]	[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29,54H,4-15,17-18,20-24,28,30-53H2,1-3H3/b19-16-,27-25-,29-26-/t54-/m1/s1
HMDB10453	TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,38,41,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1
HMDB10450	TG(18:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-29,31,36,39,52H,4-15,17-18,20-23,27,30,32-35,37-38,40-51H2,1-3H3/b19-16-,26-24-,28-25-,31-29-,39-36-/t52-/m1/s1
HMDB10451	TG(18:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,52H,4-6,8-9,11-15,17-18,20-24,29-51H2,1-3H3/b10-7-,19-16-,27-25-,28-26-/t52-/m0/s1
HMDB10456	TG(18:1(9Z)/18:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,54H,4-6,8-9,11-15,17-18,20-24,27,30-53H2,1-3H3/b10-7-,19-16-,28-25-,29-26-/t54-/m0/s1
HMDB10457	TG(18:1(9Z)/18:1(11Z)/18:1(9Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,54H,4-20,22-23,27,30-53H2,1-3H3/b24-21-,28-25-,29-26-
HMDB10454	TG(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,37,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-35-/t56-/m1/s1
HMDB10455	TG(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m1/s1
HMDB04369	N-Methylserotonin	CNCCC1=CNC2=C1C=C(O)C=C2	InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3
HMDB04366	Hordenine	CN(C)CCC1=CC=C(O)C=C1	InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
HMDB04363	Imidazolone	O=C1CN=CN1	InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)
HMDB39444	24alpha-Methyllophenol	CC(C)C(C)CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C	InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18-21,23-27,30H,8-9,11-17H2,1-7H3
HMDB02409	N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1
HMDB02404	Alpha-Hydroxyhippuric acid	OC(NC(=O)C1=CC=CC=C1)C(O)=O	InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)
HMDB02400	Levuglandin D2	CCCCC[C@H](O)\C=C\[C@H]([C@@H](C\C=C/CCCC(O)=O)C=O)C(C)=O	InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1
HMDB53840	TG(20:3n6/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,59H,4-6,8-9,11-15,18,22-23,27,31-32,38-58H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-
HMDB53841	TG(20:3n6/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,42,45,59H,4-6,8-9,11-15,18,22-23,27,31-32,38-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,45-42-
HMDB53842	TG(20:3n6/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-36,38-39,42,61H,4-6,8-9,11-15,18,22-23,27,31,33,37,40-41,43-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-
HMDB53843	TG(20:3n6/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-36,38-39,42,48,51,61H,4-6,8-9,11-15,18,22-23,27,31,33,37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,51-48-
HMDB53844	TG(20:3n6/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,35,58H,4-15,17-18,21-22,24,26-27,30-31,34,36-57H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,35-33-
HMDB53845	TG(20:3n6/18:3(6Z,9Z,12Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40,43,58H,4-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-
HMDB41728	(-)-Epicatechin 3'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(=C([H])C([H])=C2O[H])[C@@]2([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C([H])([H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1
HMDB41729	(-)-Epicatechin 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O3)C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15+,16+,17-,18-,19+,21-/m1/s1
HMDB41726	Dihydroglycitein	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1([H])C(=O)C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2OC1([H])[H]	InChI=1S/C16H14O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-7,12,17-18H,8H2,1H3
HMDB41727	Dihydrosinapic acid	[H]OC(=O)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C1[H]	InChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
HMDB41724	Dihydroferulic acid 4-sulfate	[H]OC(=O)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OS(=O)(=O)O[H])C([H])=C1[H]	InChI=1S/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)
HMDB41725	Dihydroferuloylglycine	[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])C(=O)OC(=O)C([H])([H])N([H])[H]	InChI=1S/C12H15NO5/c1-17-10-6-8(2-4-9(10)14)3-5-11(15)18-12(16)7-13/h2,4,6,14H,3,5,7,13H2,1H3
HMDB41722	Dihydrodaidzein 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C3C(OC([H])([H])C([H])(C3=O)C3=C([H])C([H])=C(O[H])C([H])=C3[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H20O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-7,13,16-19,21-22,24-26H,8H2,(H,27,28)/t13?,16-,17-,18+,19-,21+/m0/s1
HMDB41723	Dihydroferulic acid 4-O-glucuronide	[H]OC(=O)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(O[C@]2([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])=C1[H]	InChI=1S/C16H20O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
HMDB41720	Dihydrocaffeic acid 3-O-glucuronide	[H]OC(=O)C([H])([H])C([H])([H])C1=C([H])C(O[C@]2([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C15H18O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1
HMDB41721	Dihydrocaffeic acid 3-sulfate	[H]OC(=O)C([H])([H])C([H])([H])C1=C([H])C(OS(=O)(=O)O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)
HMDB49533	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,37,40,59H,4-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,40-37-
HMDB49532	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49,52,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-
HMDB49531	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,40-41,43-44,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-39,42,45-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-
HMDB49530	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB07478	DG(20:3(8Z,11Z,14Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,39,42H,3-10,12,15,18,20-21,24-38H2,1-2H3/b13-11-,16-14-,19-17-,23-22-/t39-/m0/s1
HMDB07479	DG(20:3(8Z,11Z,14Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,39,42H,3-10,12,14-16,20,24-38H2,1-2H3/b13-11-,19-17-,21-18-,23-22-/t39-/m0/s1
HMDB49535	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,27-28,30-31,33,37,40,46,49,58H,4-15,17-18,21-22,24,26,29,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,33-27-,40-37-,49-46-
HMDB49534	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,30-31,37,40,46,49,58H,4-15,17-18,22,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,40-37-,49-46-
HMDB07474	DG(20:3(8Z,11Z,14Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,36,39H,3-10,12,14-16,19,22-35H2,1-2H3/b13-11-,18-17-,21-20-/t36-/m0/s1
HMDB07475	DG(20:3(8Z,11Z,14Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,37,40H,3-10,12,14-16,19,21,23-36H2,1-2H3/b13-11-,18-17-,22-20-/t37-/m0/s1
HMDB07476	DG(20:3(8Z,11Z,14Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,37,40H,3-10,12,15,19,21,23-36H2,1-2H3/b13-11-,16-14-,18-17-,22-20-/t37-/m0/s1
HMDB07477	DG(20:3(8Z,11Z,14Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,39,42H,3-10,12,14-16,18,20-21,24-38H2,1-2H3/b13-11-,19-17-,23-22-/t39-/m0/s1
HMDB07470	DG(20:3(5Z,8Z,11Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,27,29,33,35,45,48H,3-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b20-18-,29-27-,35-33-/t45-/m0/s1
HMDB07471	DG(20:3(5Z,8Z,11Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,27,29,33,35,45,48H,3-16,21-26,28,30-32,34,36-44H2,1-2H3/b19-17-,20-18-,29-27-,35-33-/t45-/m0/s1
HMDB07472	DG(20:3(8Z,11Z,14Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,35,38H,3-10,12,14-15,18,21-34H2,1-2H3/b13-11-,17-16-,20-19-/t35-/m0/s1
HMDB07473	DG(20:3(8Z,11Z,14Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,35,38H,3-9,14-15,18,21-34H2,1-2H3/b12-10-,13-11-,17-16-,20-19-/t35-/m0/s1
HMDB12915	Coniferyl alcohol	COC1=CC(\C=C\CO)=CC=C1O	InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
HMDB12914	CoA-omega-COOH-dinor-LTE4	O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6-10,14,24-29,34-36,40,51,56-57H,5,11-13,15-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-4/b4-3-,8-6+,9-7-,14-10+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1
HMDB54090	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,32,34,39,42,56H,4-14,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,42-39-
HMDB12916	Cyanosulfurous acid anion	O[S](O)C#N	InChI=1S/CH2NO2S/c2-1-5(3)4/h3-4H
HMDB12911	CoA-18-COOH-15E-dinor-LTE4	O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/CC\C=C\CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6,8-11,14,24-29,34-36,40,51,56-57H,5,7,12-13,15-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-4/b4-3-,8-6+,11-9+,14-10+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1
HMDB54097	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38-39,42,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB12913	CoA-20-COOH-LTE4	O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C\C\C=C\CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C44H69N8O22P3S2/c1-44(2,25-71-77(68,69)74-76(66,67)70-23-30-37(73-75(63,64)65)36(58)42(72-30)52-27-51-35-39(46)49-26-50-40(35)52)38(59)41(60)48-20-19-32(54)47-21-22-78-34(57)18-13-11-9-7-5-3-4-6-8-10-12-16-31(79-24-28(45)43(61)62)29(53)15-14-17-33(55)56/h4-8,10,12,16,26-31,36-38,42,53,58-59H,3,9,11,13-15,17-25,45H2,1-2H3,(H,47,54)(H,48,60)(H,55,56)(H,61,62)(H,66,67)(H,68,69)(H2,46,49,50)(H2,63,64,65)/p-4/b6-4+,7-5+,10-8+,16-12+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1
HMDB12912	CoA-20-COOH-18-oxo-LTE4	O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/C\C=C/CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C44H67N8O23P3S2/c1-44(2,24-72-78(69,70)75-77(67,68)71-22-30-37(74-76(64,65)66)36(59)42(73-30)52-26-51-35-39(46)49-25-50-40(35)52)38(60)41(61)48-18-17-32(55)47-19-20-79-34(58)21-27(53)13-10-8-6-4-3-5-7-9-11-15-31(80-23-28(45)43(62)63)29(54)14-12-16-33(56)57/h3,5-9,11,15,25-26,28-31,36-38,42,54,59-60H,4,10,12-14,16-24,45H2,1-2H3,(H,47,55)(H,48,61)(H,56,57)(H,62,63)(H,67,68)(H,69,70)(H2,46,49,50)(H2,64,65,66)/p-4/b5-3-,8-6-,9-7+,15-11+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1
HMDB54098	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB54099	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,36,39,53H,4-14,17,20-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,39-36-
HMDB58669	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,52-53,56-57,64-65,68-69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-51,54-55,58-63,66-67,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,56-52-,57-53-,68-64-,69-65-/t84?,85-,86-/m1/s1
HMDB05181	Dolichol-14	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO	InChI=1S/C70H114O/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-71/h29,31,33,35,37,39,41,43,45,47,49,51,53,55,71H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54,56H2,1-15H3/b58-31+,59-33+,60-35+,61-37+,62-39+,63-41+,64-43+,65-45+,66-47+,67-49+,68-51+,69-53+,70-55+
HMDB58668	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB05189	CE(18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h12-13,26,35-36,38-42H,7-11,14-25,27-34H2,1-6H3/b13-12-/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1
HMDB51985	TG(24:1(15Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,64H,4-16,18-19,21-24,27,30-37,39-40,42-63H2,1-3H3/b20-17-,28-25-,29-26-,41-38-
HMDB41094	Gingerglycolipid B	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h6-7,9-10,22-24,26-35,37-42H,2-5,8,11-21H2,1H3/b7-6-,10-9-
HMDB41095	Gingerglycolipid C	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H60O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h9-10,22-24,26-35,37-42H,2-8,11-21H2,1H3/b10-9-
HMDB41096	Lepidimoic acid	CC(O)C(O)C(O)C(OC1OC(=CC(O)C1O)C(O)=O)C=O.CC(O)C1OC(O)C(OC2OC(=CC(O)C2O)C(O)=O)C1O.CC1OC(O)C(OC2OC(=CC(O)C2O)C(O)=O)C(O)C1O	InChI=1S/3C12H18O10/c1-3(13)8-7(16)9(11(19)21-8)22-12-6(15)4(14)2-5(20-12)10(17)18;1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18;1-4(14)8(16)10(18)7(3-13)22-12-9(17)5(15)2-6(21-12)11(19)20/h2*2-4,6-9,11-16,19H,1H3,(H,17,18);2-5,7-10,12,14-18H,1H3,(H,19,20)
HMDB41097	(E)-Antibiotic BE 23372M	OC1=CC(\C=C2\C=C(OC2=O)C2=CC(O)=C(O)C=C2)=CC(O)=C1	InChI=1S/C17H12O6/c18-12-4-9(5-13(19)8-12)3-11-7-16(23-17(11)22)10-1-2-14(20)15(21)6-10/h1-8,18-21H/b11-3-
HMDB41090	(-)-(E)-1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol	OC(CC\C=C\C1=CC=CC=C1)CCC1=CC=C(O)C=C1	InChI=1S/C19H22O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-4,6-8,11-12,14-15,18,20-21H,5,9-10,13H2/b8-4+
HMDB41091	1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol	COC1=CC(CCC(O)CC(O)CCC2=CC(OC)=C(O)C=C2)=CC(OC)=C1O	InChI=1S/C22H30O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h6,9-12,16-17,23-26H,4-5,7-8,13H2,1-3H3
HMDB41092	Tripoxyrollin	CCCCCCCCCCC1OC1CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3
HMDB41093	Gingerglycolipid A	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-
HMDB50575	TG(20:1(11Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,66H,4-16,18-19,21-24,31-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-
HMDB50574	TG(20:1(11Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,38,41,47,50,64H,4-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB50577	TG(20:1(11Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,44,47,53,56,66H,4-16,18-19,21-24,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,47-44-,56-53-
HMDB50576	TG(20:1(11Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,44,47,66H,4-16,18-19,21-24,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,47-44-
HMDB41098	2-Hydroxy-3-methyl-4H-pyran-4-one; O-(6E-Cinnamoyl-b-D-glucopyranoside)	CC1=C(OC2OC(COC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2O)OC=CC1=O	InChI=1S/C21H22O9/c1-12-14(22)9-10-27-20(12)30-21-19(26)18(25)17(24)15(29-21)11-28-16(23)8-7-13-5-3-2-4-6-13/h2-10,15,17-19,21,24-26H,11H2,1H3/b8-7+
HMDB41099	Kanzonol R	COC1=CC=C(C2COC3=CC(O)=CC(OC)=C3C2)C(O)=C1CC=C(C)C	InChI=1S/C22H26O5/c1-13(2)5-6-17-19(25-3)8-7-16(22(17)24)14-9-18-20(26-4)10-15(23)11-21(18)27-12-14/h5,7-8,10-11,14,23-24H,6,9,12H2,1-4H3
HMDB50573	TG(20:1(11Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,38,41,64H,4-16,18-19,21-24,31-37,39-40,42-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-
HMDB50572	TG(20:1(11Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,63H,4-14,16-17,19-23,30-62H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB48044	TG(14:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,36,39,45,48,58H,4-6,8-9,11-14,17,20-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,39-36-,48-45-
HMDB51980	TG(24:1(15Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-
HMDB04586	Perillic acid	CC(=C)C1CCC(=CC1)C(O)=O	InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
HMDB00299	Xanthosine	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(O)N=C2O	InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
HMDB58661	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58660	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB00291	Vanillylmandelic acid	COC1=C(O)C=CC(=C1)[C@H](O)C(O)=O	InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m0/s1
HMDB00290	Uridine diphosphate-N-acetylglucosamine	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
HMDB00293	Xanthosine 5-triphosphate	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O	InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
HMDB00292	Xanthine	O=C1NC2=C(NC=N2)C(=O)N1	InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
HMDB00295	Uridine 5'-diphosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
HMDB00294	Urea	NC(N)=O	InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
HMDB00296	Uridine	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
HMDB58662	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,43-49,54-56,58-60,66,68,70,72,87-89,94H,5-8,11-12,15-20,24,28-32,40-42,50-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB58665	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,51-52,55-56,63-64,67-68,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-,67-63-,68-64-/t84-,85-/m1/s1
HMDB58664	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,54-56,58-60,66,68,70,72,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB03752	LysoPC(10:0)	[H][C@@](O)(COC(=O)CCCCCCCCC)COP(O)(=O)OCC[N+](C)(C)C	InChI=1S/C18H38NO7P/c1-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19(2,3)4/h17,20H,5-16H2,1-4H3/p+1/t17-/m1/s1
HMDB58667	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB06989	CDP-DG(18:1(11Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h13,15,18,20,35-36,40-41,45-47,54-55H,3-12,14,16-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b15-13-,20-18-/t40-,41-,45+,46?,47-/m1/s1
HMDB06988	CDP-DG(18:1(11Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h13-16,35-36,40-41,45-47,54-55H,3-12,17-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b15-13-,16-14-/t40-,41-,45+,46?,47-/m1/s1
HMDB06987	CDP-DG(18:1(11Z)/18:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h13,15,35-36,40-41,45-47,54-55H,3-12,14,16-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b15-13-/t40-,41-,45+,46?,47-/m1/s1
HMDB06986	CDP-DG(18:1(11Z)/16:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-41(50)59-35-38(62-42(51)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h13,15,33-34,38-39,43-45,52-53H,3-12,14,16-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b15-13-/t38-,39-,43+,44?,45-/m1/s1
HMDB06985	CDP-DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11,13,17,19,21-22,26,28,32,34,39-40,44-45,49-51,58-59H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t44-,45-,49+,50?,51-/m1/s1
HMDB06984	CDP-DG(18:0/22:3(10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H91N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h11,13,17,19,21-22,39-40,44-45,49-51,58-59H,3-10,12,14-16,18,20,23-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b13-11-,19-17-,22-21-/t44-,45-,49+,50?,51-/m1/s1
HMDB06983	CDP-DG(18:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11,13,17,19,22,24,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,14-16,18,20-21,23,25-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,19-17-,24-22-/t42-,43-,47+,48?,49-/m1/s1
HMDB06982	CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,19-17-,24-22-,30-28-/t42-,43-,47+,48?,49-/m1/s1
HMDB06981	CDP-DG(18:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h12,14,18,20,35-36,40-41,45-47,54-55H,3-11,13,15-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,20-18-/t40-,41-,45+,46?,47-/m1/s1
HMDB06980	CDP-DG(18:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h18,20,35-36,40-41,45-47,54-55H,3-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b20-18-/t40-,41-,45+,46?,47-/m1/s1
HMDB44303	TG(16:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37-38,41,43,46,56H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-
HMDB00128	Guanidoacetic acid	NC(=N)NCC(O)=O	InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
HMDB00127	D-Glucuronic acid	O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
HMDB00126	Glycerol 3-phosphate	OC[C@@H](O)COP(O)(O)=O	InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
HMDB00125	Glutathione	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
HMDB00124	Fructose 6-phosphate	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O	InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
HMDB00123	Glycine	NCC(O)=O	InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
HMDB00122	D-Glucose	OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
HMDB00121	Folic acid	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1	InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
HMDB44302	TG(16:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,37-38,41,56H,4-6,8-9,11-15,18,21-24,28,32-33,35-36,39-40,42-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-
HMDB32773	Eremopetasitenin D1	COC12CC3CCC(O)C(C)C3(C)C(OC(=O)C(\C)=C/C)C1=C(C)C(=O)O2	InChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7-
HMDB32772	Eremopetasitenin C3	COC1C2=C(C)C(=O)OC2(CC2CCC(OC(=O)\C=C\SC)C(C)C12C)OC	InChI=1S/C21H30O6S/c1-12-17-18(24-4)20(3)13(2)15(26-16(22)9-10-28-6)8-7-14(20)11-21(17,25-5)27-19(12)23/h9-10,13-15,18H,7-8,11H2,1-6H3/b10-9+
HMDB32771	Eremopetasitenin C2	COC12CC3CCC(OC(=O)\C=C\SC)C(C)C3(C)C(OC(=O)C(\C)=C\C)C1=C(C)C(=O)O2	InChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11+,14-8+
HMDB32770	Eremopetasitenin C1	COC12CC3CCC(O)C(C)C3(C)C(OC(=O)C(\C)=C\C)C1=C(C)C(=O)O2	InChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7+
HMDB32777	Ciceritol	CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	InChI=1S/C19H34O16/c1-31-16-11(26)10(25)12(27)17(15(16)30)35-19-14(29)9(24)7(22)5(34-19)3-32-18-13(28)8(23)6(21)4(2-20)33-18/h4-30H,2-3H2,1H3/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-/m1/s1
HMDB32776	3-Oxo-carbofuran	CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2=O	InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)
HMDB32775	3-Hydroxy-carbofuran	CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2O	InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
HMDB32774	Eremopetasitenin D2	COC12CC3CCC(OC(=O)\C=C\SC)C(C)C3(C)C(OC(=O)C(\C)=C/C)C1=C(C)C(=O)O2	InChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11+,14-8-
HMDB01451	Lipoic acid	[H][C@@]1(CCCCC(O)=O)CCSS1	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
HMDB01452	Thromboxane A2	CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
HMDB32778	Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside)	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+
HMDB01454	Guanosine tetraphosphate adenosine	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(32)13(34)19(47-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
HMDB01455	Alloepipregnanolone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
HMDB55875	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,36,39,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-35,37-38,40-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-
HMDB01457	5-b-Cholestane-3a ,7a ,12a-triol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB44409	TG(16:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,41,47,50,60H,4-15,18,21-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,41-38-,50-47-
HMDB01988	4-Hydroxycyclohexylcarboxylic acid	OC1CCC(CC1)C(O)=O	InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
HMDB01989	Tungsten	[W+4]	InChI=1S/W/q+4
HMDB01986	Lacto-N-difucopentaose II	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)C=O	InChI=1S/C38H65NO29/c1-9-18(48)22(52)25(55)35(59-9)64-29(12(46)4-40)30(13(47)5-41)65-38-28(58)33(21(51)15(7-43)62-38)68-34-17(39-11(3)45)32(67-37-27(57)24(54)20(50)14(6-42)61-37)31(16(8-44)63-34)66-36-26(56)23(53)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-/m0/s1
HMDB01987	2-Hydroxy-2-methylbutyric acid	CCC(C)(O)C(O)=O	InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
HMDB01984	Finasteride	[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C	InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18?,22-,23+/m0/s1
HMDB01982	3,7-Dimethyluric acid	CN1C(=O)NC2=C1C(=O)NC(=O)N2C	InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)
HMDB01983	5'-Deoxyadenosine	C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
HMDB01980	Vasopressin	NCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O	InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29?,30-,31-,32-,33-,34-,35-/m0/s1
HMDB01981	(R)-Mevalonic acid-5-pyrophosphate	C[C@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O	InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m0/s1
HMDB38634	(-)-Dioxibrassinin	CSC(=S)NCC1(O)C(=O)NC2=C1C=CC=C2	InChI=1S/C11H12N2O2S2/c1-17-10(16)12-6-11(15)7-4-2-3-5-8(7)13-9(11)14/h2-5,15H,6H2,1H3,(H,12,16)(H,13,14)
HMDB38635	Methoxybrassenin A	CON1C=C(CN=C(SC)SC)C2=C1C=CC=C2	InChI=1S/C13H16N2OS2/c1-16-15-9-10(8-14-13(17-2)18-3)11-6-4-5-7-12(11)15/h4-7,9H,8H2,1-3H3
HMDB35200	Yucalexin B5	CC12CC3(CCC4C(C)(C)C(=O)C(=O)CC4(C)C3CC1=O)C=C2	InChI=1S/C20H26O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14H,5-6,9-11H2,1-4H3
HMDB31512	Tiglic aldehyde	C\C=C(\C)C=O	InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-
HMDB31513	()-3-Hydroxynonanoic acid	CCCCCCC(O)CC(O)=O	InChI=1S/C9H18O3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
HMDB31510	R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl	CC(C)CC(=O)OC(C(C)C)C(O)=O	InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)
HMDB31511	Diacetone alcohol	CC(=O)CC(C)(C)O	InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
HMDB31516	3-Hydroxy-2-pentanone	CCC(O)C(C)=O	InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3
HMDB31517	(R)-3-Hydroxy-5-phenylpentanoic acid	OC(CCC1=CC=CC=C1)CC(O)=O	InChI=1S/C11H14O3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
HMDB31514	6-Butyltetrahydro-2H-pyran-2-one	CCCCC1CCCC(=O)O1	InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3
HMDB31515	(E)-8-Hydroxy-2-octene-4,6-diynoic acid	OCC#CC#C\C=C/C(O)=O	InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6-8(10)11/h4,6,9H,7H2,(H,10,11)/b6-4-
HMDB38630	Niazimin A	CCOC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1	InChI=1S/C18H25NO8/c1-4-24-18(23)19-9-12-5-7-13(8-6-12)27-17-15(22)14(21)16(10(2)25-17)26-11(3)20/h5-8,10,14-17,21-22H,4,9H2,1-3H3,(H,19,23)
HMDB31518	D-Malic acid	O[C@H](CC(O)=O)C(O)=O	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
HMDB31519	4-Mercapto-4-methyl-2-pentanone	CC(=O)CC(C)(C)S	InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
HMDB35207	2-Phenyl-4-pentenal	C=CCC(C=O)C1=CC=CC=C1	InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2
HMDB35202	7-Hydroxycostal	CC12CCCC(=C)C1CC(O)(CC2)C(=C)C=O	InChI=1S/C15H22O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h10,13,17H,1-2,4-9H2,3H3
HMDB35203	(S)-9,10-Cyclo-p-menth-1-en-4-ol	CC1=CCC(O)(CC1)C1CC1	InChI=1S/C10H16O/c1-8-4-6-10(11,7-5-8)9-2-3-9/h4,9,11H,2-3,5-7H2,1H3
HMDB02189	N8-Acetylspermidine	CC(=O)NCCCCNCCCN	InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
HMDB38637	Methoxybrassitin	CON1C=C(CNC(=O)SC)C2=C1C=CC=C2	InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15)
HMDB35206	Bakkenolide B	C\C=C(/C)C(=O)OC1CCC(C)C2(C)CC3(C(OC(C)=O)C12)C(=C)COC3=O	InChI=1S/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7+
HMDB38631	Camalexin	N1C=C(C2=NC=CS2)C2=C1C=CC=C2	InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H
HMDB35204	Dukunolide C	CC(=O)OC1C2=CCCC3(C)C(OC(=O)C(=C23)C2(O)C3(C)OC(=O)C4OC34C(C)(C)C(=O)C12O)C1=COC=C1	InChI=1S/C28H28O11/c1-12(29)36-18-14-7-6-9-24(4)15(14)16(20(30)37-17(24)13-8-10-35-11-13)27(34)25(5)28(19(38-28)21(31)39-25)23(2,3)22(32)26(18,27)33/h7-8,10-11,17-19,33-34H,6,9H2,1-5H3
HMDB35205	Allium schoenoprasum Anthocyanin-flavonol	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(OC4OC(C(O)C(O)C4OC(=O)CC(=O)OCC4OC(OC5=CC6=C(C=C(O)C=C6O)[O+]=C5C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)C(O)=O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C57H58O35/c58-14-30-36(68)40(72)46(78)55(86-30)92-52-42(74)37(69)31(15-59)87-57(52)90-49-39(71)35-26(65)10-21(11-28(35)84-48(49)17-1-4-19(60)5-2-17)82-56-51(44(76)43(75)50(91-56)53(79)80)89-34(67)13-33(66)81-16-32-38(70)41(73)45(77)54(88-32)85-29-12-22-24(63)8-20(61)9-27(22)83-47(29)18-3-6-23(62)25(64)7-18/h1-12,30-32,36-38,40-46,50-52,54-59,68-70,72-78H,13-16H2,(H6-,60,61,62,63,64,65,71,79,80)/p+1
HMDB02183	Docosahexaenoic acid	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
HMDB02182	Phenylephrine	CNC[C@H](O)C1=CC(O)=CC=C1	InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
HMDB35208	Aflatoxin B2	COC1=CC2=C(C3CCOC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2	InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3
HMDB02180	5b-Cholestane-3a,7a,12a,25,26-pentol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO	InChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
HMDB38638	6-Methoxy-9H-carbazole-3-carboxaldehyde	COC1=CC2=C(NC3=C2C=C(C=O)C=C3)C=C1	InChI=1S/C14H11NO2/c1-17-10-3-5-14-12(7-10)11-6-9(8-16)2-4-13(11)15-14/h2-8,15H,1H3
HMDB38639	Methyl 6-methoxy-9H-carbazole-3-carboxylate	COC(=O)C1=CC2=C(NC3=C2C=C(OC)C=C3)C=C1	InChI=1S/C15H13NO3/c1-18-10-4-6-14-12(8-10)11-7-9(15(17)19-2)3-5-13(11)16-14/h3-8,16H,1-2H3
HMDB02185	3-trans,5-cis-Octadienoyl-CoA	CCC\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC([C@H](O)[C@@H]1CP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C30H48N7O16P3S/c1-4-5-6-7-8-9-22(39)57-13-12-32-21(38)10-11-33-28(42)25(41)30(2,3)16-51-56(48,49)53-55(46,47)50-14-20-19(15-54(43,44)45)24(40)29(52-20)37-18-36-23-26(31)34-17-35-27(23)37/h6-9,17-20,24-25,29,40-41H,4-5,10-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b7-6-,9-8+/t19-,20-,24-,25?,29?/m1/s1
HMDB02184	L-Threo-3-Phenylserine	N[C@@H](C(O)C1=CC=CC=C1)C(O)=O	InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8?/m0/s1
HMDB02181	Phytoene	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
HMDB35209	Cartormin	OCC1OC(C(O)C(O)C1O)C1(O)C2=C(C=C(N2)C2OCC(O)C2O)C(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C1=O	InChI=1S/C27H29NO13/c29-8-16-20(35)21(36)22(37)26(41-16)27(39)24-12(7-13(28-24)23-19(34)15(32)9-40-23)18(33)17(25(27)38)14(31)6-3-10-1-4-11(30)5-2-10/h1-7,15-16,19-23,26,28-30,32-37,39H,8-9H2/b6-3+
HMDB02186	Hypogeic acid	CCCCCCCC\C=C/CCCCCC(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9-
HMDB48828	TG(16:1(9Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,34,36-37,39,58H,4-6,8-9,11-15,18,22-23,29,31,33,35,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-
HMDB48829	TG(16:1(9Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-6,8-9,11-15,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-
HMDB35604	(R)-p-Menth-4(8)-en-3-one	CC1CCC(=C(C)C)C(=O)C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3
HMDB56065	DG(20:0/0:0/14:1n5)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h23,25,35,38H,3-22,24,26-34H2,1-2H3/b25-23+
HMDB48826	TG(16:1(9Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-
HMDB56067	DG(20:0/0:0/18:1n7)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,39,42H,3-13,15,17-38H2,1-2H3/b16-14-
HMDB56066	DG(20:0/0:0/16:1n7)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h21,23,37,40H,3-20,22,24-36H2,1-2H3/b23-21+
HMDB56061	DG(18:0/0:0/22:6n3)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-
HMDB56060	DG(18:0/0:0/22:5n3)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,28-26-
HMDB56063	DG(20:0/0:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3
HMDB48827	TG(16:1(9Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB56069	DG(20:0/0:0/20:1n9)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-
HMDB48824	TG(16:1(9Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,54H,4-7,9-10,12-15,18,22-23,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-
HMDB48825	TG(16:1(9Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,35,38,54H,4-7,9-10,12-15,18,22-23,28,31-32,34,36-37,39-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-
HMDB48822	TG(16:1(9Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,34,36-37,39,58H,4-15,18,22-23,29,31,33,35,38,40-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-
HMDB41009	7-Methyl-2-benzofurancarboxaldehyde	CC1=CC=CC2=C1OC(C=O)=C2	InChI=1S/C10H8O2/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-6H,1H3
HMDB48823	TG(16:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-15,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-
HMDB41008	1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine	CN1C(N)=NC2=C1C=C(C=N2)C1=CC=CC=C1	InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
HMDB48820	TG(16:1(9Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,40,43,56H,4-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB46059	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,39,45,48,54,57,66H,4-16,18-19,21-24,27,30-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,28-25-,29-26-,39-35-,48-45-,57-54-
HMDB44309	TG(16:0/20:2n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,59H,4-13,15-16,18-22,24-25,27-58H2,1-3H3/b17-14-,26-23-
HMDB48821	TG(16:1(9Z)/20:3n6/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,34,37,58H,4-15,18,22-23,29-33,35-36,38-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,37-34-
HMDB46058	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,52,55,64H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB40259	2-Methyl-5-(methylthio)thiophene	CSC1=CC=C(C)S1	InChI=1S/C6H8S2/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3
HMDB40258	xi-2-Acetylthietane	CC(=O)C1CCS1	InChI=1S/C5H8OS/c1-4(6)5-2-3-7-5/h5H,2-3H2,1H3
HMDB40251	Butyl isobutyrate	CCCCOC(=O)C(C)C	InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
HMDB40250	xi-Tetrahydro-2-thiophenethiol	SC1CCCS1	InChI=1S/C4H8S2/c5-4-2-1-3-6-4/h4-5H,1-3H2
HMDB40253	Propyl formate	CCCOC=O	InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
HMDB40252	Isobutyl isobutyrate	CC(C)COC(=O)C(C)C	InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
HMDB40254	Butyl lactate	CCCCOC(=O)C(C)O	InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
HMDB40257	2-(4-Methoxyphenoxy)propanoic acid, 9CI; ()-form, Na salt	[Na+].COC1=CC=C(OC(C)C([O-])=O)C=C1	InChI=1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
HMDB40256	(S)-2-(4-Methoxyphenoxy)propanoic acid	COC1=CC=C(OC(C)C(O)=O)C=C1	InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)
HMDB33918	(15alpha,20R)-15,20-Dihydroxypregn-4-en-3-one	CC(O)C1CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC12C	InChI=1S/C21H32O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,12,15-19,22,24H,4-9,11H2,1-3H3
HMDB33919	2-Deoxy-D-ribitol	OCCC(O)C(O)CO	InChI=1S/C5H12O4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2
HMDB46054	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,39,42,48,51,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,42-39-,51-48-
HMDB33910	Acetophenone	CC(=O)C1=CC=CC=C1	InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
HMDB33911	5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one	CC1=CC(=O)C2=C(O1)C=C1C=C(O)C=C(O)C1=C2O	InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,15,17-18H,1H3
HMDB33912	2-Propenyl propyl disulfide	CCCSSCC=C	InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3
HMDB33913	Cassiaside	CC1=CC(=O)C2=C(O)C3=C(C=CC=C3OC3OC(CO)C(O)C(O)C3O)C=C2O1	InChI=1S/C20H20O9/c1-8-5-10(22)15-12(27-8)6-9-3-2-4-11(14(9)17(15)24)28-20-19(26)18(25)16(23)13(7-21)29-20/h2-6,13,16,18-21,23-26H,7H2,1H3
HMDB33914	Aegelinol	CC1(C)OC2=CC3=C(C=CC(=O)O3)C=C2CC1O	InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3
HMDB33915	Aloe emodin w-acetate	CC(=O)OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O	InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3
HMDB33916	2-Nonanol	CCCCCCCC(C)O	InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
HMDB33917	4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one	COC1CC(C=CC1(C)O)C(C)CC(=O)C=C(C)C	InChI=1S/C16H26O3/c1-11(2)8-14(17)9-12(3)13-6-7-16(4,18)15(10-13)19-5/h6-8,12-13,15,18H,9-10H2,1-5H3
HMDB46056	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,32,35,41,44,50,53,62H,4-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,44-41-,53-50-
HMDB46051	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,39,45,48,54,57,66H,4-16,18-19,21-25,27-28,30-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,29-26-,39-35-,48-45-,57-54-
HMDB46050	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,52,55,64H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,29-26-,37-34-,46-43-,55-52-
HMDB41005	1'-Acetoxychavicol acetate	CC(=O)OC(C=C)C1=CC=C(OC(C)=O)C=C1	InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3
HMDB41004	(+)-1,18-Nonacosanediol	CCCCCCCCCCCC(O)CCCCCCCCCCCCCCCCCO	InChI=1S/C29H60O2/c1-2-3-4-5-6-14-17-20-23-26-29(31)27-24-21-18-15-12-10-8-7-9-11-13-16-19-22-25-28-30/h29-31H,2-28H2,1H3
HMDB08112	PC(18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20-22,24-25,27,31,33,44H,6-19,23,26,28-30,32,34-43H2,1-5H3/b22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB08113	PC(18:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-25,27,44H,6-13,15,17-19,23,26,28-43H2,1-5H3/b16-14-,22-20-,24-21-,27-25-/t44-/m1/s1
HMDB08110	PC(18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20-22,24,44H,6-19,23,25-43H2,1-5H3/b22-20-,24-21-/t44-/m1/s1
HMDB08111	PC(18:1(9Z)/20:2(11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24,44H,6-13,15,17-19,23,25-43H2,1-5H3/b16-14-,22-20-,24-21-/t44-/m1/s1
HMDB08116	PC(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-25,27,31,33,44H,6-7,9,11-13,15,17-19,23,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB08117	PC(18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h21,26,46H,6-20,22-25,27-45H2,1-5H3/b26-21-/t46-/m1/s1
HMDB08114	PC(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-25,27,31,33,44H,6-13,15,17-19,23,26,28-30,32,34-43H2,1-5H3/b16-14-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB08115	PC(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-25,27,44H,6-7,9,11-13,15,17-19,23,26,28-43H2,1-5H3/b10-8-,16-14-,22-20-,24-21-,27-25-/t44-/m1/s1
HMDB50584	TG(20:1(11Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-
HMDB08118	PC(18:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20-22,26,46H,6-19,23-25,27-45H2,1-5H3/b22-20-,26-21-/t46-/m1/s1
HMDB08119	PC(18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,26,46H,6-13,15,17-19,23-25,27-45H2,1-5H3/b16-14-,22-20-,26-21-/t46-/m1/s1
HMDB50585	TG(20:1(11Z)/18:2(9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,33,59H,4-20,22-23,27,31-32,34-58H2,1-3H3/b24-21-,28-25-,29-26-,33-30-
HMDB37114	3-Methyl-2-oxopentanoic acid, 9CI; (R)-form, Me ester	CCC(C)C(=O)C(=O)OC	InChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3
HMDB37115	()-2-Hydroxy-4-(methylthio)butanoic acid	CSCCC(O)C(O)=O	InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
HMDB37116	delta-Decalactone	CCCCCC1CCCC(=O)O1	InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
HMDB37117	Neoannonin B	CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3
HMDB37110	4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one	OC1C(O)C2=C(C=CC3=C2C(=CC=C3)C1=O)C1=CC(O)=C(O)C=C1	InChI=1S/C19H14O5/c20-13-7-5-10(8-14(13)21)11-6-4-9-2-1-3-12-15(9)16(11)18(23)19(24)17(12)22/h1-8,18-21,23-24H
HMDB37111	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol; (1R*,2R*,3R*)-form, 3-Ketone	OC1C(O)C2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=C(O)C=C1	InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17,19-21,23H
HMDB37112	Acifluorfen	OC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1N(=O)=O	InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
HMDB37113	1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one	O=C1CCC2=C3N1CCC3=CC=C2	InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
HMDB41328	3'-Deaminofusarochromanone	CC1(C)CC(=O)C2=C(N)C(=CC=C2O1)C(=O)CCCO	InChI=1S/C15H19NO4/c1-15(2)8-11(19)13-12(20-15)6-5-9(14(13)16)10(18)4-3-7-17/h5-6,17H,3-4,7-8,16H2,1-2H3
HMDB37119	Flaxseed lignan-HMGA oligomer	COC1=CC(CC(COC2OC(COC(=O)CC(C)(O)CC(=O)OCC3OC(OCC(CC4=CC(OC)=C(O)C=C4)C(COC4OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C4O)CC4=CC=C(O)C(OC)=C4)C(O)C(O)C3O)C(O)C(O)C2O)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C76H106O39/c1-75(99,23-55(82)83)24-56(84)105-32-52-60(88)64(92)68(96)72(113-52)110-30-41(17-37-9-13-45(80)49(21-37)103-5)42(18-38-10-14-46(81)50(22-38)104-6)31-111-74-70(98)66(94)62(90)54(115-74)34-107-58(86)26-76(2,100)25-57(85)106-33-53-61(89)65(93)69(97)73(114-53)109-29-40(16-36-8-12-44(79)48(20-36)102-4)39(15-35-7-11-43(78)47(19-35)101-3)28-108-71-67(95)63(91)59(87)51(27-77)112-71/h7-14,19-22,39-42,51-54,59-74,77-81,87-100H,15-18,23-34H2,1-6H3,(H,82,83)
HMDB10607	PG(18:0/18:3(9Z,12Z,15Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,39-40,43-44H,3-5,7,9-11,13,15-17,19,21-38H2,1-2H3,(H,47,48)/b8-6-,14-12-,20-18-/t39-,40+/m0/s1
HMDB10606	PG(18:0/18:3(6Z,9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,39-40,43-44H,3-11,13,15-17,19,21-23,25,27-38H2,1-2H3,(H,47,48)/b14-12-,20-18-,26-24-/t39-,40+/m0/s1
HMDB10605	PG(18:0/18:2(9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,39-40,43-44H,3-11,13,15-17,19,21-38H2,1-2H3,(H,47,48)/b14-12-,20-18-/t39-,40+/m0/s1
HMDB10604	PG(18:0/18:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40+/m0/s1
HMDB10603	PG(18:0/18:1(11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39-40,43-44H,3-13,15,17-38H2,1-2H3,(H,47,48)/b16-14-/t39-,40+/m0/s1
HMDB07116	DG(16:0/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,39,42H,3-16,19-38H2,1-2H3/b18-17-/t39-/m0/s1
HMDB10601	PG(18:0/16:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37-38,41-42H,3-13,15,17-36H2,1-2H3,(H,45,46)/b16-14-/t37-,38+/m0/s1
HMDB10600	PG(18:0/16:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m0/s1
HMDB07118	DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,39,42H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3/b13-11-,18-17-,21-20-,26-24-/t39-/m0/s1
HMDB36247	Schidigerasaponin D3	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h19-42,46-55H,5-18H2,1-4H3
HMDB36246	Schidigerasaponin D1	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3
HMDB36245	b-Chlorogenin 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;4)]-b-D-glucopyranoside]	CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H74O17/c1-18-7-12-45(55-17-18)19(2)30-28(62-45)15-25-23-14-27(47)26-13-22(8-10-43(26,5)24(23)9-11-44(25,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3
HMDB36244	Schidigerasaponin F2	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C39H64O14/c1-17-7-10-39(48-16-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(42)13-38(19,4)21(20)8-9-37(22,28)3)49-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)26(14-40)50-35/h17-36,40-47H,5-16H2,1-4H3
HMDB36243	Schidigerasaponin F1	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C44H72O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h18-41,45-54H,5-17H2,1-4H3
HMDB36242	4-O-alpha-L-Rhamnopyranosylglucosinalbin	CC1OC(OC2=CC=C(C\C(SC3OC(CO)C(O)C(O)C3O)=N/OS(O)(=O)=O)C=C2)C(O)C(O)C1O	InChI=1S/C20H29NO14S2/c1-8-13(23)15(25)17(27)19(32-8)33-10-4-2-9(3-5-10)6-12(21-35-37(29,30)31)36-20-18(28)16(26)14(24)11(7-22)34-20/h2-5,8,11,13-20,22-28H,6-7H2,1H3,(H,29,30,31)/b21-12+
HMDB36241	6''-O-alpha-D-Galactopyranosylciceritol	CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	InChI=1S/C25H44O21/c1-40-21-15(34)14(33)16(35)22(20(21)39)46-25-19(38)13(32)10(29)7(45-25)4-42-24-18(37)12(31)9(28)6(44-24)3-41-23-17(36)11(30)8(27)5(2-26)43-23/h5-39H,2-4H2,1H3/t5-,6-,7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1
HMDB36240	4-tert-Butylphenylacetic acid, 8CI; Me ester	COC(=O)CC1=CC=C(C=C1)C(C)(C)C	InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3
HMDB36249	Schidigeragenin C	CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC23C)OC11CCC(=C)CO1	InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h16-24,28-29H,1,5-14H2,2-4H3
HMDB36248	Schidigerasaponin D5	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3
HMDB44969	TG(18:0/20:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,52H,4-14,16-17,19-23,25,27-51H2,1-3H3/b18-15-,26-24-
HMDB44968	TG(18:0/20:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-
HMDB44963	TG(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30-31,33,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,33-27-,39-36-,48-45-
HMDB44962	TG(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30-31,33,36,39,58H,4-6,8-9,11-15,17-18,20-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,33-27-,39-36-
HMDB44961	TG(18:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31-32,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,34-32-,43-40-
HMDB44960	TG(18:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31-32,34,56H,4-6,8-9,11-15,17-18,20-24,26,29-30,33,35-55H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,34-32-
HMDB44967	TG(18:0/20:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26,29,60H,4-25,27-28,30-59H2,1-3H3/b29-26-
HMDB44966	TG(18:0/20:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,58H,4-25,27-28,30-57H2,1-3H3/b29-26-
HMDB44965	TG(18:0/20:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,56H,4-24,26-27,29-55H2,1-3H3/b28-25-
HMDB44964	TG(18:0/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,55H,4-26,28-29,31-54H2,1-3H3/b30-27-
HMDB48170	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-29,31,33,36-37,40,52H,4-14,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB45618	TG(20:0/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,30,35,61H,4-20,22-23,25-29,31-34,36-60H2,1-3H3/b24-21-,35-30-
HMDB45619	TG(20:0/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,40,43,60H,4-17,19-20,22-26,28-33,35-39,41-42,44-59H2,1-3H3/b21-18-,34-27-,43-40-
HMDB48171	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,30,32,38,41,53H,4-13,20-22,27-29,31,33-37,39-40,42-52H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,32-30-,41-38-
HMDB45612	TG(20:0/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB45613	TG(20:0/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,34,60H,4-26,28-33,35-59H2,1-3H3/b34-27-
HMDB45610	TG(20:0/22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-
HMDB45611	TG(20:0/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB45616	TG(20:0/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-
HMDB45617	TG(20:0/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-
HMDB45614	TG(20:0/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-
HMDB45615	TG(20:0/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26,29,36,39,45,48,62H,4-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b29-26-,39-36-,48-45-
HMDB13578	PGP(18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H72O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37-38,41H,3-4,6,8-10,12,15,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b7-5-,13-11-,16-14-,18-17-/t37-,38+/m0/s1
HMDB13579	PGP(18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39-40,43H,3-4,6,8-10,12,14-16,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,19-17-/t39-,40+/m0/s1
HMDB42493	TG(14:0/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,34,36,42,45,58H,4-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b26-24-,27-25-,36-34-,45-42-
HMDB42492	TG(14:0/24:1(15Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-
HMDB42495	TG(14:0/24:1(15Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,62H,4-23,28-61H2,1-3H3/b26-24-,27-25-
HMDB42494	TG(14:0/24:1(15Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,60H,4-23,28-59H2,1-3H3/b26-24-,27-25-
HMDB42497	TG(14:0/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,24-26,32,37,40,56H,4-16,18-19,21-23,27-31,33-36,38-39,41-55H2,1-3H3/b20-17-,26-24-,32-25-,40-37-
HMDB35608	Monotropein	OCC1OC(OC2OC=C(C3C=CC(O)(CO)C23)C(O)=O)C(O)C(O)C1O	InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)
HMDB13570	PGP(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,41-42,45H,3-11,13,15-16,20,23,26,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-,42+/m0/s1
HMDB13571	PGP(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,41-42,45H,3-10,15-16,20,23,26,28-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-,42+/m0/s1
HMDB13572	PGP(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H74O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27-28,30,41-42,45H,3-10,15-16,20,23,26,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-,42+/m0/s1
HMDB13573	PGP(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,43-44,47H,3-10,15-16,20,24-25,30-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-,44+/m0/s1
HMDB13574	PGP(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,43-44,47H,3-10,15-16,20,24-25,30-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-,44+/m0/s1
HMDB13575	PGP(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,43-44,47H,3-4,6,8-10,15-16,20,24-25,30-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-,44+/m0/s1
HMDB13576	PGP(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H74O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,43-44,47H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-,44+/m0/s1
HMDB13577	PGP(18:3(9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1
HMDB43940	TG(16:0/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB53173	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-33,36,38-39,41,45,48,58H,4-8,10-11,13-15,22-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-
HMDB48176	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-14,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB56064	DG(20:0/0:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3
HMDB53174	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,35,38,54H,4-6,8,11,13-15,22-24,31-34,36-37,39-53H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-
HMDB48177	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,37,40,52H,4-7,9-10,12-14,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-
HMDB53175	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-35,37-38,54H,4-6,8,11,13-15,22-24,31-33,36,39-53H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB44065	TG(16:0/16:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h21,24-26,56H,4-20,22-23,27-55H2,1-3H3/b24-21-,26-25-
HMDB35609	Gibberellin A68	CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(=C)C5O	InChI=1S/C19H22O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h5-6,9-14,20-21H,1,3-4,7H2,2H3,(H,22,23)
HMDB53177	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-32,34,36,39-40,43,56H,4-6,8,11,13-15,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB56062	DG(20:0/0:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3
HMDB41209	Justisolin; O-b-D-Glucopyranoside	[H]OC([H])([H])C1([H])OC([H])(OC2=C([H])C3=C(OC([H])([H])O3)C([H])=C2C2([H])OC([H])([H])C3([H])C([H])(OC([H])([H])C23[H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]	InChI=1S/C26H28O12/c27-6-20-21(28)22(29)23(30)26(38-20)37-16-5-19-18(35-10-36-19)4-12(16)25-14-8-31-24(13(14)7-32-25)11-1-2-15-17(3-11)34-9-33-15/h1-5,13-14,20-30H,6-10H2
HMDB56068	DG(20:0/0:0/18:1n9)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h18,21,39,42H,3-17,19-20,22-38H2,1-2H3/b21-18-
HMDB44618	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,34,40,43,52H,4-6,8-9,11-14,17,20-23,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,34-31-,43-40-
HMDB41208	De-O-methylsimmondsin	COC1C(O)CC(OC2OC(CO)C(O)C(O)C2O)\C(=C\C#N)C1O	InChI=1S/C15H23NO9/c1-23-14-7(18)4-8(6(2-3-16)10(14)19)24-15-13(22)12(21)11(20)9(5-17)25-15/h2,7-15,17-22H,4-5H2,1H3/b6-2-
HMDB36939	4-Hydroxybenzyl glucosinolate; 4-(4-O-Acetyl-a-L-rhamnopyranoside)	CC1OC(OC2=CC=C(C\C(SC3OC(CO)C(O)C(O)C3O)=N/OS(O)(=O)=O)C=C2)C(O)C(O)C1OC(C)=O	InChI=1S/C22H31NO15S2/c1-9-20(35-10(2)25)17(28)18(29)21(34-9)36-12-5-3-11(4-6-12)7-14(23-38-40(31,32)33)39-22-19(30)16(27)15(26)13(8-24)37-22/h3-6,9,13,15-22,24,26-30H,7-8H2,1-2H3,(H,31,32,33)/b23-14+
HMDB36938	1-O-Feruloylglucose	COC1=C(O)C=CC(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+
HMDB36931	Tatridin B	C\C1=C\C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C	InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6-
HMDB36930	Grandiflorolic acid	CC12CCCC(C)(C1CCC13CC(CCC21)C(=C)C3O)C(O)=O	InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)
HMDB36933	Galactaric acid, 9CI, 8CI; 2-O-(3,4,5-Trihydroxybenzoyl), 1-Me ester	COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O)C(O)=O	InChI=1S/C14H16O12/c1-25-14(24)11(9(19)8(18)10(20)12(21)22)26-13(23)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-20H,1H3,(H,21,22)
HMDB36932	2-O-Galloylgalactaric acid	OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O	InChI=1S/C13H14O12/c14-4-1-3(2-5(15)6(4)16)13(24)25-10(12(22)23)8(18)7(17)9(19)11(20)21/h1-2,7-10,14-19H,(H,20,21)(H,22,23)
HMDB36935	Galactaric acid, 9CI, 8CI; 2-O-(3,4,5-Trihydroxybenzoyl), di-Me ester	COC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)OC	InChI=1S/C15H18O12/c1-25-14(23)11(21)9(19)10(20)12(15(24)26-2)27-13(22)5-3-6(16)8(18)7(17)4-5/h3-4,9-12,16-21H,1-2H3
HMDB36934	Galactaric acid, 9CI, 8CI; 2-O-(3,4,5-Trihydroxybenzoyl), 6-Me ester	COC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O	InChI=1S/C14H16O12/c1-25-14(24)10(20)8(18)9(19)11(12(21)22)26-13(23)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-20H,1H3,(H,21,22)
HMDB36937	1-O-Caffeoylglucose	OCC1OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+
HMDB36936	1-O-p-Coumaroyl-beta-D-glucose	OCC1OC(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+
HMDB43720	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,34,37,49H,4-6,8-9,11-14,17,20-23,26,29-33,35-36,38-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,37-34-
HMDB43721	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,36,39,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-35,37-38,40-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-,39-36-
HMDB43722	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,38,41,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-,41-38-
HMDB43723	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,38,41,53H,4-6,8-9,11-15,17-18,20-24,28,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-,41-38-
HMDB39228	(3-Aminopropoxy)guanidine	NCCCONC(N)=N	InChI=1S/C4H12N4O/c5-2-1-3-9-8-4(6)7/h1-3,5H2,(H4,6,7,8)
HMDB39229	Pyro-L-glutaminyl-L-glutamine	NC(=O)CCC(NC(=O)C1CCC(=O)N1)C(O)=O	InChI=1S/C10H15N3O5/c11-7(14)3-1-6(10(17)18)13-9(16)5-2-4-8(15)12-5/h5-6H,1-4H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)
HMDB43726	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,36,42,45,57H,4-7,9-10,12-16,18-19,21-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-34-,45-42-
HMDB43727	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,36,38,44,47,59H,4-7,9-10,12-16,18-19,21-24,29-35,37,39-43,45-46,48-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-36-,47-44-
HMDB39224	Fast green FCF; Ca salt	[Ca++].CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC(=C(O)C=C1)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S(O)(=O)=O	InChI=1S/C37H36N2O10S3.Ca/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)31-16-11-28(12-17-31)37(30-15-20-35(40)36(23-30)52(47,48)49)29-13-18-32(19-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);/q;+2/p+1
HMDB39225	2-Stearyl citrate	CCCCCCCCCCCCCCCCCCOC(=O)C(O)(CC(O)=O)CC(O)=O	InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-23(29)24(30,19-21(25)26)20-22(27)28/h30H,2-20H2,1H3,(H,25,26)(H,27,28)
HMDB39226	(Z)-2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid	CCCCCC\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC(O)=C1	InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(23)17-20(24)21(18)22(25)26/h7-8,16-17,23-24H,2-6,9-15H2,1H3,(H,25,26)/b8-7+
HMDB39227	3-Mercapto-3-methyl-1-butanol, 9CI; O-Ac	CC(=O)OCCC(C)(C)S	InChI=1S/C7H14O2S/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3
HMDB39220	Ethyl 4-decenoate	CCCCC\C=C\CCC(=O)OCC	InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
HMDB39221	Methylcarbamodithioic acid K salt	CNC(S)=S	InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)
HMDB39222	N-(gamma-Glutamyl)ethanolamine	NC(CCC(=O)NCCO)C(O)=O	InChI=1S/C7H14N2O4/c8-5(7(12)13)1-2-6(11)9-3-4-10/h5,10H,1-4,8H2,(H,9,11)(H,12,13)
HMDB39223	Fast green FCF; Al salt	[Al+3].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC(=C(O)C=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O	InChI=1S/C37H36N2O10S3.Al/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)31-16-11-28(12-17-31)37(30-15-20-35(40)36(23-30)52(47,48)49)29-13-18-32(19-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);/q;+3/p-2
HMDB47610	TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,64H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-
HMDB47611	TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,40-41,43,47,50,64H,4-8,10-11,13-17,19-20,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB47612	TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,42,45,66H,4-8,10-11,13-17,19-20,22-25,28,31-41,43-44,46-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,45-42-
HMDB47613	TG(24:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,44,47,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-43,45-46,48-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,47-44-
HMDB47614	TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,37,39,42,63H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-36,38,40-41,43-62H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-30-,42-39-
HMDB47615	TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36,38,41-42,45,62H,4-7,9-10,12-16,19,22-25,28,30-35,37,39-40,43-44,46-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-
HMDB47616	TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,39,42,63H,4-7,9-10,12-14,16,19,21-23,25,28,30-38,40-41,43-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,42-39-
HMDB47617	TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,40-41,43,64H,4-8,10-11,13-16,19,22-25,28,31-37,39,42,44-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-
HMDB47618	TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,40-41,43,47,50,64H,4-8,10-11,13-16,19,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB47619	TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,42,45,66H,4-8,10-11,13-16,19,22-25,28,31-41,43-44,46-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,45-42-
HMDB55833	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,36,39,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-35,37-38,40-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,39-36-
HMDB38622	Medicoside G	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H66O16/c1-37(2)11-13-42(36(54)58-34-31(51)29(49)27(47)23(18-44)56-34)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(45)32(41(6,35(52)53)25(38)9-10-40(24,39)5)57-33-30(50)28(48)26(46)22(17-43)55-33/h7,20-34,43-51H,8-18H2,1-6H3,(H,52,53)
HMDB34269	Mammeisin	CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O	InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)22(19(26)12-15(3)4)24(29)21-18(13-20(27)30-25(17)21)16-8-6-5-7-9-16/h5-10,13,15,28-29H,11-12H2,1-4H3
HMDB34268	Lippioside II	CC1(O)C(O)CC2C1C(OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)OC=C2C(O)=O	InChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+
HMDB34267	L-2-Amino-3-(1-pyrazolyl)propanoic acid	NC(CN1C=CC=N1)C(O)=O	InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)
HMDB34266	L-Coprine	NC(CCC(=O)NC1(O)CC1)C(O)=O	InChI=1S/C8H14N2O4/c9-5(7(12)13)1-2-6(11)10-8(14)3-4-8/h5,14H,1-4,9H2,(H,10,11)(H,12,13)
HMDB34265	Lippioside I	CC1(O)C(O)CC2C1C(OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)OC=C2C(O)=O	InChI=1S/C25H30O13/c1-25(34)16(27)8-13-14(22(32)33)9-36-23(18(13)25)38-24-21(31)20(30)19(29)15(37-24)10-35-17(28)7-4-11-2-5-12(26)6-3-11/h2-7,9,13,15-16,18-21,23-24,26-27,29-31,34H,8,10H2,1H3,(H,32,33)/b7-4+
HMDB34264	Glyceollin IV	COC1=C(CC=C(C)C)C=C2C3OC4=C(C=CC(O)=C4)C3(O)COC2=C1	InChI=1S/C21H22O5/c1-12(2)4-5-13-8-15-18(10-17(13)24-3)25-11-21(23)16-7-6-14(22)9-19(16)26-20(15)21/h4,6-10,20,22-23H,5,11H2,1-3H3
HMDB34263	Triethyl citrate	CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC	InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
HMDB34262	Byssochlamic acid	CCCC1CC2=C(CC(CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O	InChI=1S/C18H20O6/c1-3-5-10-8-12-11(15(19)23-16(12)20)6-9(4-2)7-13-14(10)18(22)24-17(13)21/h9-10H,3-8H2,1-2H3
HMDB34261	()-2-Octanol	CCCCCCC(C)O	InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
HMDB34260	2,2-Dihydroperoxypropane	CC(C)(OO)OO	InChI=1S/C3H8O4/c1-3(2,6-4)7-5/h4-5H,1-2H3
HMDB41485	Benzyl formate	O=COCC1=CC=CC=C1	InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
HMDB38579	Erioglaucine A; Di-Na salt	[Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O)C1=CC=CC=C1S([O-])(=O)=O	InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
HMDB38578	Chlorophyll a	CCC1=C(C)C2=[N]3C1=CC1=C(C)C4=C5N1[Mg]31N3C(=CC6=[N]1C(C(CCC(=O)OC\C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C6C)=C5C(C(=O)OC)C4=O)C(C)=C(C=C)C3=C2	InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26-;
HMDB38577	Avenanthramide A	OC(=O)C1=CC(O)=CC=C1NC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+
HMDB38576	Avenanthramide C	OC(=O)C1=CC(O)=CC=C1NC(=O)\C=C\C1=CC(O)=C(O)C=C1	InChI=1S/C16H13NO6/c18-10-3-4-12(11(8-10)16(22)23)17-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,18-20H,(H,17,21)(H,22,23)/b6-2+
HMDB38575	Avenanthramide B	COC1=C(O)C=CC(\C=C\C(=O)NC2=CC=C(O)C=C2C(O)=O)=C1	InChI=1S/C17H15NO6/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23/h2-9,19-20H,1H3,(H,18,21)(H,22,23)/b7-3+
HMDB38574	Lansiumamide A	O=C(N\C=C/C1=CC=CC=C1)\C=C\C1=CC=CC=C1	InChI=1S/C17H15NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-14H,(H,18,19)/b12-11+,14-13-
HMDB38573	Lansiumamide B	CN(\C=C\C1=CC=CC=C1)C(=O)\C=C\C1=CC=CC=C1	InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14+
HMDB38572	Pollenitin	COC1=C(O)C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C=C1	InChI=1S/C16H12O7/c1-22-10-6-9(18)11-13(20)14(21)15(23-16(11)12(10)19)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3
HMDB38571	Methylhalfordinol	COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=CN=C1	InChI=1S/C15H12N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-15(19-14)12-3-2-8-16-9-12/h2-10H,1H3
HMDB38570	Cyclobrassinin sulfoxide	CS(=O)C1=NCC2=C(NC3=C2C=CC=C3)S1	InChI=1S/C11H10N2OS2/c1-16(14)11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3
HMDB58521	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB43942	TG(16:0/20:0/18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB15110	Dipyridamole	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1	InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
HMDB15111	Telithromycin	CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCN3C=NC(=C3)C3=CC=CN=C3)C(=O)O[C@@]12C)OC	InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33+,36-,37-,38-,40+,42-,43+/m1/s1
HMDB15113	Lomefloxacin	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12	InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)
HMDB15114	Cyclopentolate	CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1	InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
HMDB15115	Ramelteon	CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2	InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
HMDB15116	Physostigmine	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C	InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
HMDB15118	Formoterol	COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1	InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
HMDB15119	Nandrolone phenpropionate	[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1
HMDB42938	TG(14:0/o-18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H94O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-47(45-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2)46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3/h14,17,47H,4-13,15-16,18-46H2,1-3H3/b17-14-
HMDB42939	TG(14:0/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)48-56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-
HMDB42932	TG(14:0/o-18:0/15:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C50H98O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-48(46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)47-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
HMDB42933	TG(14:0/o-18:0/16:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)48-56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB42930	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,42,45,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-,45-42-
HMDB42931	TG(14:0/o-18:0/14:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C49H96O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-47(45-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2)46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3/h47H,4-46H2,1-3H3
HMDB42936	TG(14:0/o-18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB42937	TG(14:0/o-18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB42934	TG(14:0/o-18:0/18:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB42935	TG(14:0/o-18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB48934	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,52H,4-6,9,12-15,18,22-23,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-
HMDB48935	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,33,36,52H,4-6,9,12-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB48936	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,32,54H,4-6,9,12-15,18,22-23,28,31,33-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-
HMDB48937	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,32,38,41,54H,4-6,9,12-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-
HMDB48930	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,32,38,41,54H,4-7,9-10,12-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-
HMDB48931	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,56H,4-7,9-10,12-15,18,22-23,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-
HMDB48932	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,34,37,56H,4-7,9-10,12-15,18,22-23,28,32-33,35-36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-
HMDB48933	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,34,37,43,46,56H,4-7,9-10,12-15,18,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB48938	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,34,37,56H,4-6,9,12-15,18,22-23,28,32-33,35-36,38-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-
HMDB48939	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,34,37,43,46,56H,4-6,9,12-15,18,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB58306	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58307	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58304	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-67,70-71,87-89,94H,5-9,12-13,16-20,24,29-31,36,40-42,49-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB58305	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-9,12-13,16-20,24,29-31,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58302	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58303	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-9,11-13,15-20,24,29-31,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58300	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,48,52-54,57-58,60,64-66,69-70,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47,49-51,55-56,59,61-63,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB58301	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58308	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,11-12,15-20,24,29-31,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58309	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,67,71,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-53,57,61-66,68-70,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-/t87?,88-,89-/m1/s1
HMDB29829	Norchalciporyl propionate	CCC(=O)OCC\C=C\C=C/C1=NC(C)C=CC=C1	InChI=1S/C16H21NO2/c1-3-16(18)19-13-9-5-4-6-11-15-12-8-7-10-14(2)17-15/h4-8,10-12,14H,3,9,13H2,1-2H3/b5-4+,11-6-
HMDB29828	Dihydrodioscorine	CC1CC(=O)OC2(C1)CC1CCC2CN1C	InChI=1S/C13H21NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h9-11H,3-8H2,1-2H3
HMDB29827	Junosidine	COC1=CC=CC2=C1N(C)C1=C(C(O)=C3C=CC(C)(C)OC3=C1)C2=O	InChI=1S/C20H19NO4/c1-20(2)9-8-11-15(25-20)10-13-16(18(11)22)19(23)12-6-5-7-14(24-4)17(12)21(13)3/h5-10,22H,1-4H3
HMDB29826	Hallacridone	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(=C1)C(C)=O)C=C2O	InChI=1S/C18H13NO4/c1-9(20)14-7-11-15(23-14)8-13(21)16-17(11)19(2)12-6-4-3-5-10(12)18(16)22/h3-8,21H,1-2H3
HMDB29825	2,3-Diisopropyl-5-methylphenol	CC(C)C1=CC(C)=CC(O)=C1C(C)C	InChI=1S/C13H20O/c1-8(2)11-6-10(5)7-12(14)13(11)9(3)4/h6-9,14H,1-5H3
HMDB29824	2,4-Diisopropyl-3-methylphenol	CC(C)C1=C(C)C(C(C)C)=C(O)C=C1	InChI=1S/C13H20O/c1-8(2)11-6-7-12(14)13(9(3)4)10(11)5/h6-9,14H,1-5H3
HMDB29823	2,4-Diisopropyl-5-methylphenol	CC(C)C1=CC(C(C)C)=C(O)C=C1C	InChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3
HMDB29822	2,5-Diisopropyl-3-methylphenol	CC(C)C1=CC(O)=C(C(C)C)C(C)=C1	InChI=1S/C13H20O/c1-8(2)11-6-10(5)13(9(3)4)12(14)7-11/h6-9,14H,1-5H3
HMDB29821	2,5-Diisopropyl-4-methylphenol	CC(C)C1=CC(O)=C(C=C1C)C(C)C	InChI=1S/C13H20O/c1-8(2)11-7-13(14)12(9(3)4)6-10(11)5/h6-9,14H,1-5H3
HMDB29820	2,6-Diisopropyl-3-methylphenol	CC(C)C1=CC=C(C)C(C(C)C)=C1O	InChI=1S/C13H20O/c1-8(2)11-7-6-10(5)12(9(3)4)13(11)14/h6-9,14H,1-5H3
HMDB10063	PIP2(18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h18,20,37,40-45,48-50H,3-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10062	PIP2(18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h14,16,37,40-45,48-50H,3-13,15,17-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b16-14-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10061	PIP2(18:0/16:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC	InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h8,10,14,16,35,38-43,46-48H,3-7,9,11-13,15,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b10-8-,16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10060	PIP2(18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h14,16,35,38-43,46-48H,3-13,15,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10067	PIP2(18:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,39,42-47,50-52H,3-10,12,14-16,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10066	PIP2(18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h6,8,12,14,18,20,37,40-45,48-50H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b8-6-,14-12-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10065	PIP2(18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12,14,18,20,24,26,37,40-45,48-50H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,20-18-,26-24-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10064	PIP2(18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12,14,18,20,37,40-45,48-50H,3-11,13,15-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10069	PIP2(18:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10068	PIP2(18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17,19,22,24,28,30,39,42-47,50-52H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB39171	4,9-Dihydroxy-10(14)-oplopen-3-one; (4S,9a)-form, 9-(3-Methylbutanoyl)	CC(C)CC(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)O)C1=C	InChI=1S/C20H32O4/c1-10(2)7-18(23)24-17-9-14(11(3)4)20-15(12(17)5)8-16(22)19(20)13(6)21/h10-11,13-15,17,19-21H,5,7-9H2,1-4,6H3
HMDB39172	Flacourtin	OCC1=C(O)C=C(OC2OC(COC(=O)C3=CC=CC=C3)C(O)C(O)C2O)C=C1	InChI=1S/C20H22O9/c21-9-12-6-7-13(8-14(12)22)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2
HMDB39173	3-beta-Glucosylcellotriose	OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)C2O)C(O)C(O)C1O	InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)22(40-5)45-20-10(30)6(2-26)41-24(17(20)37)44-19-8(4-28)42-23(16(36)13(19)33)43-18-7(3-27)39-21(38)14(34)12(18)32/h5-38H,1-4H2
HMDB39176	Nystose	OCC1OC(CO)(OCC2(OCC3(OC4OC(CO)C(O)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C1O	InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2
HMDB11918	Ganglioside GM3 (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h18-19,40-45,47-57,62-64,66-68,70-74H,4-17,20-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b19-18-/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54?,55-,56+,57-,59-/m0/s1
HMDB11919	Ganglioside GM3 (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C61H114N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(71)63-42(43(68)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-79-58-53(75)52(74)55(47(39-66)81-58)82-59-54(76)57(51(73)46(38-65)80-59)84-61(60(77)78)36-44(69)49(62-41(3)67)56(83-61)50(72)45(70)37-64/h42-47,49-59,64-66,68-70,72-76H,4-40H2,1-3H3,(H,62,67)(H,63,71)(H,77,78)/t42-,43+,44-,45+,46+,47+,49+,50+,51-,52+,53+,54+,55+,56?,57-,58+,59-,61-/m0/s1
HMDB11914	Ganglioside GM3 (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C55H102N2O21/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-37(62)36(57-42(65)29-27-25-23-21-18-15-13-11-9-7-5-2)34-73-52-47(69)46(68)49(41(33-60)75-52)76-53-48(70)51(45(67)40(32-59)74-53)78-55(54(71)72)30-38(63)43(56-35(3)61)50(77-55)44(66)39(64)31-58/h36-41,43-53,58-60,62-64,66-70H,4-34H2,1-3H3,(H,56,61)(H,57,65)(H,71,72)/t36-,37+,38-,39+,40+,41+,43+,44+,45-,46+,47+,48+,49+,50?,51-,52+,53-,55-/m0/s1
HMDB11915	Ganglioside GM3 (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H106N2O21/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(64)38(59-44(67)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-75-54-49(71)48(70)51(43(35-62)77-54)78-55-50(72)53(47(69)42(34-61)76-55)80-57(56(73)74)32-40(65)45(58-37(3)63)52(79-57)46(68)41(66)33-60/h38-43,45-55,60-62,64-66,68-72H,4-36H2,1-3H3,(H,58,63)(H,59,67)(H,73,74)/t38-,39+,40-,41+,42+,43+,45+,46+,47-,48+,49+,50+,51+,52?,53-,54+,55-,57-/m0/s1
HMDB11916	Ganglioside GM3 (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C59H110N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h40-45,47-57,62-64,66-68,70-74H,4-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54?,55-,56+,57-,59-/m0/s1
HMDB11917	Ganglioside GM3 (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h14,16,40-45,47-57,62-64,66-68,70-74H,4-13,15,17-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b16-14-/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54?,55-,56+,57-,59-/m0/s1
HMDB11910	Ganglioside GM2 (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C68H120N2O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(80)70-45(46(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-89-65-58(85)57(84)60(50(39-73)91-65)93-66-59(86)63(61(51(40-74)92-66)94-64-44(35-42(3)75)54(81)56(83)49(38-72)90-64)96-68(67(87)88)36-47(78)53(69-43(4)76)62(95-68)55(82)48(79)37-71/h15,17,31,33,44-51,53-66,71-74,77-79,81-86H,5-14,16,18-30,32,34-41H2,1-4H3,(H,69,76)(H,70,80)(H,87,88)/b17-15-,33-31+/t44-,45+,46-,47+,48-,49-,50-,51-,53-,54-,55-,56+,57-,58-,59-,60-,61+,62?,63-,64+,65-,66+,68+/m1/s1
HMDB11911	Ganglioside GM2 (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C72H128N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(84)74-49(50(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-93-69-62(89)61(88)64(54(43-77)95-69)97-70-63(90)67(65(55(44-78)96-70)98-68-48(39-46(3)79)58(85)60(87)53(42-76)94-68)100-72(71(91)92)40-51(82)57(73-47(4)80)66(99-72)59(86)52(83)41-75/h19-20,35,37,48-55,57-70,75-78,81-83,85-90H,5-18,21-34,36,38-45H2,1-4H3,(H,73,80)(H,74,84)(H,91,92)/b20-19-,37-35+/t48-,49+,50-,51+,52-,53-,54-,55-,57-,58-,59-,60+,61-,62-,63-,64-,65+,66?,67-,68+,69-,70+,72+/m1/s1
HMDB11912	Ganglioside GM2 (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C73H132N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(85)75-50(51(82)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-94-70-63(90)62(89)65(55(44-78)96-70)98-71-64(91)68(66(56(45-79)97-71)99-69-49(40-47(3)80)59(86)61(88)54(43-77)95-69)101-73(72(92)93)41-52(83)58(74-48(4)81)67(100-73)60(87)53(84)42-76/h36,38,49-56,58-71,76-79,82-84,86-91H,5-35,37,39-46H2,1-4H3,(H,74,81)(H,75,85)(H,92,93)/b38-36+/t49-,50+,51-,52+,53-,54-,55-,56-,58-,59-,60-,61+,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,73+/m1/s1
HMDB11913	Ganglioside GM3 (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C53H98N2O21/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(60)34(55-40(63)27-25-23-21-18-13-11-9-7-5-2)32-71-50-45(67)44(66)47(39(31-58)73-50)74-51-46(68)49(43(65)38(30-57)72-51)76-53(52(69)70)28-36(61)41(54-33(3)59)48(75-53)42(64)37(62)29-56/h34-39,41-51,56-58,60-62,64-68H,4-32H2,1-3H3,(H,54,59)(H,55,63)(H,69,70)/t34-,35+,36-,37+,38+,39+,41+,42+,43-,44+,45+,46+,47+,48?,49-,50+,51-,53-/m0/s1
HMDB04918	Ganglioside GD3 (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C78H139N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h19-20,39,41,52-59,61-74,82-85,88-91,93-98H,5-18,21-38,40,42-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/b20-19-,41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67?,68+,69+,70?,71?,72-,73+,74-,77+,78-/m0/s1
HMDB04919	Ganglioside GD3 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C78H141N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h39,41,52-59,61-74,82-85,88-91,93-98H,5-38,40,42-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/b41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67?,68+,69+,70?,71?,72-,73+,74-,77+,78-/m0/s1
HMDB04916	Ganglioside GD3 (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C74H133N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(88)77-48(49(84)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-99-69-63(93)62(92)65(55(44-81)101-69)102-70-64(94)68(60(90)53(42-79)100-70)106-74(72(97)98)40-51(86)58(76-47(4)83)67(105-74)61(91)54(43-80)103-73(71(95)96)39-50(85)57(75-46(3)82)66(104-73)59(89)52(87)41-78/h35,37,48-55,57-70,78-81,84-87,89-94H,5-34,36,38-45H2,1-4H3,(H,75,82)(H,76,83)(H,77,88)(H,95,96)(H,97,98)/b37-35+/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63?,64+,65+,66?,67?,68-,69+,70-,73+,74-/m0/s1
HMDB04917	Ganglioside GD3 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C76H135N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(90)79-50(51(86)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-101-71-65(95)64(94)67(57(46-83)103-71)104-72-66(96)70(62(92)55(44-81)102-72)108-76(74(99)100)42-53(88)60(78-49(4)85)69(107-76)63(93)56(45-82)105-75(73(97)98)41-52(87)59(77-48(3)84)68(106-75)61(91)54(89)43-80/h19-20,37,39,50-57,59-72,80-83,86-89,91-96H,5-18,21-36,38,40-47H2,1-4H3,(H,77,84)(H,78,85)(H,79,90)(H,97,98)(H,99,100)/b20-19-,39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65?,66+,67+,68?,69?,70-,71+,72-,75+,76-/m0/s1
HMDB04914	Ganglioside GD3 (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C70H125N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h31,33,44-51,53-66,74-77,80-83,85-90H,5-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59?,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1
HMDB04915	Ganglioside GD3 (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C72H129N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(86)75-46(47(82)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-97-67-61(91)60(90)63(53(42-79)99-67)100-68-62(92)66(58(88)51(40-77)98-68)104-72(70(95)96)38-49(84)56(74-45(4)81)65(103-72)59(89)52(41-78)101-71(69(93)94)37-48(83)55(73-44(3)80)64(102-71)57(87)50(85)39-76/h33,35,46-53,55-68,76-79,82-85,87-92H,5-32,34,36-43H2,1-4H3,(H,73,80)(H,74,81)(H,75,86)(H,93,94)(H,95,96)/b35-33+/t46-,47+,48-,49-,50+,51+,52+,53+,55+,56+,57+,58-,59+,60+,61?,62+,63+,64?,65?,66-,67+,68-,71+,72-/m0/s1
HMDB04912	Ganglioside GD3 (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C70H123N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h19-20,31,33,44-51,53-66,74-77,80-83,85-90H,5-18,21-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b20-19-,33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1
HMDB04913	Ganglioside GD3 (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C68H121N3O29/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(78)42(71-50(82)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-93-63-57(87)56(86)59(49(38-75)95-63)96-64-58(88)62(54(84)47(36-73)94-64)100-68(66(91)92)34-45(80)52(70-41(4)77)61(99-68)55(85)48(37-74)97-67(65(89)90)33-44(79)51(69-40(3)76)60(98-67)53(83)46(81)35-72/h29,31,42-49,51-64,72-75,78-81,83-88H,5-28,30,32-39H2,1-4H3,(H,69,76)(H,70,77)(H,71,82)(H,89,90)(H,91,92)/b31-29+/t42-,43+,44-,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57?,58+,59+,60?,61?,62-,63+,64-,67+,68-/m0/s1
HMDB04910	Ganglioside GA1 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C69H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(78)71-47(48(77)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-87-67-61(85)58(82)64(51(43-74)90-67)93-69-62(86)59(83)63(52(44-75)91-69)92-66-54(70-46(3)76)65(56(80)50(42-73)88-66)94-68-60(84)57(81)55(79)49(41-72)89-68/h37,39,47-52,54-69,72-75,77,79-86H,4-36,38,40-45H2,1-3H3,(H,70,76)(H,71,78)/b39-37+/t47-,48+,49+,50+,51+,52+,54+,55-,56-,57-,58+,59+,60+,61?,62+,63-,64+,65+,66-,67+,68-,69-/m0/s1
HMDB04911	Ganglioside GD3 (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC	InChI=1S/C64H113N3O29/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(74)38(67-46(78)28-26-24-22-19-14-12-10-8-6-2)35-89-59-53(83)52(82)55(45(34-71)91-59)92-60-54(84)58(50(80)43(32-69)90-60)96-64(62(87)88)30-41(76)48(66-37(4)73)57(95-64)51(81)44(33-70)93-63(61(85)86)29-40(75)47(65-36(3)72)56(94-63)49(79)42(77)31-68/h25,27,38-45,47-60,68-71,74-77,79-84H,5-24,26,28-35H2,1-4H3,(H,65,72)(H,66,73)(H,67,78)(H,85,86)(H,87,88)/b27-25+/t38-,39+,40-,41-,42+,43+,44+,45+,47+,48+,49+,50-,51+,52+,53?,54+,55+,56?,57?,58-,59+,60-,63+,64-/m0/s1
HMDB50647	TG(20:1(11Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32,34,37-38,41,58H,4-16,19,22-24,30-31,33,35-36,39-40,42-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-
HMDB41438	Pseudomonine	CC1ON(CCC2=CNC=N2)C(=O)C1NC(=O)C1=C(O)C=CC=C1	InChI=1S/C16H18N4O4/c1-10-14(19-15(22)12-4-2-3-5-13(12)21)16(23)20(24-10)7-6-11-8-17-9-18-11/h2-5,8-10,14,21H,6-7H2,1H3,(H,17,18)(H,19,22)
HMDB48543	TG(16:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-31-,41-38-,50-47-
HMDB48542	TG(16:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-31-,41-38-
HMDB45517	TG(20:0/15:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,55H,4-15,17-18,20-24,26,28-30,32,34-54H2,1-3H3/b19-16-,27-25-,33-31-
HMDB45516	TG(20:0/15:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,54H,4-13,15-16,18-22,24-25,27-53H2,1-3H3/b17-14-,26-23-
HMDB45519	TG(20:0/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-
HMDB07258	DG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,39,42H,3-4,6,8-10,15-16,20,23,25-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-/t39-/m0/s1
HMDB07259	DG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,28,30,39,42H,3-4,6,8-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB45518	TG(20:0/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,41,55H,4-15,17-18,20-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b19-16-,27-25-,33-31-,41-38-
HMDB07254	DG(18:2(9Z,12Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,39,42H,3-10,15-16,20,22-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-/t39-/m0/s1
HMDB07255	DG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24,28,30,39,42H,3-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3/b14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB07256	DG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,39,42H,3-10,15-16,20,23,25-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-/t39-/m0/s1
HMDB07257	DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,39,42H,3-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB07250	DG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,37,40H,3-5,7,9-10,15-16,21-36H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-/t37-/m0/s1
HMDB07251	DG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,37,40H,3-5,7,9-10,15-16,21-23,25,27-36H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t37-/m0/s1
HMDB07252	DG(18:2(9Z,12Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,39,42H,3-11,13,15-17,19-20,22-38H2,1-2H3/b14-12-,21-18-/t39-/m0/s1
HMDB07253	DG(18:2(9Z,12Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,39,42H,3-11,13,15-16,20,22-38H2,1-2H3/b14-12-,19-17-,21-18-/t39-/m0/s1
HMDB12335	PS(14:0/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,34-35H,3-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b17-16-/t34-,35+/m1/s1
HMDB12334	PS(14:0/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34-,35+/m1/s1
HMDB12337	PS(14:0/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C38H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,34-35H,3-4,6,8-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,13-11-,17-16-/t34-,35+/m1/s1
HMDB12336	PS(14:0/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,34-35H,3-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b13-11-,17-16-/t34-,35+/m1/s1
HMDB12331	PS(14:0/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C34H64NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,30-31H,3-9,11,13-29,35H2,1-2H3,(H,38,39)(H,40,41)/b12-10-/t30-,31+/m1/s1
HMDB12330	PS(14:0/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C34H66NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29,35H2,1-2H3,(H,38,39)(H,40,41)/t30-,31+/m1/s1
HMDB12333	PS(14:0/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C36H68NO10P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,32-33H,3-12,14,16-31,37H2,1-2H3,(H,40,41)(H,42,43)/b15-13-/t32-,33+/m1/s1
HMDB12332	PS(14:0/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C36H70NO10P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h32-33H,3-31,37H2,1-2H3,(H,40,41)(H,42,43)/t32-,33+/m1/s1
HMDB12339	PS(14:0/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,24,26,36-37H,3-10,12,14-15,18,21-23,25,27-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,17-16-,20-19-,26-24-/t36-,37+/m1/s1
HMDB12338	PS(14:0/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,36-37H,3-10,12,14-15,18,21-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,17-16-,20-19-/t36-,37+/m1/s1
HMDB56267	DG(24:1n9/0:0/24:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-47-49(52)48-56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,49,52H,3-16,21-48H2,1-2H3/b19-17-,20-18-
HMDB56266	DG(22:1n9/0:0/22:6n3)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,35,37,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-,37-35-
HMDB56265	DG(22:1n9/0:0/22:5n3)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-
HMDB45831	TG(20:0/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,64H,4-15,17-18,20-24,27,30-63H2,1-3H3/b19-16-,28-25-,29-26-
HMDB56263	DG(22:1n9/0:0/20:4n3)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,43,46H,3-5,7,9-11,13,15-16,21-24,26,28-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-
HMDB56262	DG(22:1n9/0:0/18:4n3)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,27,29,41,44H,3-5,7,9-11,13,15-16,20-22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-,29-27-
HMDB56261	DG(22:1n9/0:0/18:3n3)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,41,44H,3-5,7,9-11,13,15-16,20-22,24-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-
HMDB56260	DG(22:1n9/0:0/22:5n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,35,37,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-,37-35-
HMDB45836	TG(20:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,36,39,62H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-
HMDB56269	DG(24:1n9/0:0/18:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,43,46H,3-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b14-12-,19-17-,25-18-,31-29-
HMDB45837	TG(20:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB55796	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-6,9,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB55797	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H94O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-6,13-15,22-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB55794	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-38,41-43,45-47,50,64H,4-6,13-15,22-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB55795	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-6,13-15,22-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB50319	TG(20:1(11Z)/15:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,55H,4-24,29-54H2,1-3H3/b27-25-,28-26-
HMDB45834	TG(20:0/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-
HMDB55790	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,13-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB55791	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H94O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,13-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB50315	TG(20:1(11Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,37,40,54H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,40-37-
HMDB50314	TG(20:1(11Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,54H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-
HMDB50317	TG(20:1(11Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,35,38,43,46,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,38-35-,46-43-
HMDB45835	TG(20:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,40,43,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-,43-40-
HMDB50311	TG(20:1(11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,35,38,43,46,56H,4-15,17-18,20-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,38-35-,46-43-
HMDB50310	TG(20:1(11Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,35,38,56H,4-15,17-18,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,38-35-
HMDB50313	TG(20:1(11Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,33,35,52H,4-7,9-10,12-16,18-19,21-23,27,29-32,34,36-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,35-33-
HMDB50312	TG(20:1(11Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,52H,4-7,9-10,12-16,18-19,21-23,27,29-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-
HMDB10500	TG(18:3(9Z,12Z,15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37,43,46,56H,4-6,9,12-15,18,21-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m1/s1
HMDB53569	TG(20:2n6/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-13,16-18,20-22,25-27,29-30,55H,4-7,10,14-15,19,23-24,28,31-54H2,1-3H3/b11-8-,12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-
HMDB53568	TG(20:2n6/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,37,40,46,49,59H,4-8,10-11,13,15,20,22,24,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB53563	TG(20:2n6/18:3(9Z,12Z,15Z)/20:2n6)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12-14,16-18,21-23,25-27,30,56H,4-8,10-11,15,19-20,24,28-29,31-55H2,1-3H3/b12-9-,16-13-,17-14-,21-18-,25-22-,26-23-,30-27-
HMDB53562	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,32-33,38,41,47,50,60H,4-13,15,18,20-22,24,27,29-31,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-32-,41-38-,50-47-
HMDB53561	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33-36,41-42,44-45,50-51,53-54,63H,4-6,8-9,11-14,21-23,30-32,37-40,43,46-49,52,55-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,53-50-,54-51-
HMDB53560	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33-36,41-42,44-45,51,54,63H,4-6,8-9,11-14,21-23,30-32,37-40,43,46-50,52-53,55-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,54-51-
HMDB53567	TG(20:2n6/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,37,40,59H,4-8,10-11,13,15,20,22,24,29-30,34-36,38-39,41-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-
HMDB53566	TG(20:2n6/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,33,59H,4-8,10-11,13,15,20,22,24,29-32,34-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,33-27-
HMDB53565	TG(20:2n6/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,35,41,44,57H,4-8,10-11,13,15,20,22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB53564	TG(20:2n6/18:3(9Z,12Z,15Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,35,57H,4-8,10-11,13,15,20,22,24,29-30,32,34,36-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-
HMDB59244	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-37,40-44,48-49,51-52,59,63,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,38-39,45-47,50,53-58,60-62,64-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,63-59-/t81?,82-,83-/m1/s1
HMDB00709	L-Cysteinylglycine disulfide	N[C@@H](CSSCC(N)C(=O)NCC(O)=O)C(O)=O	InChI=1S/C8H15N3O5S2/c9-4(7(14)11-1-6(12)13)2-17-18-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4?,5-/m0/s1
HMDB00708	Glycoursodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1
HMDB00707	4-Hydroxyphenylpyruvic acid	OC(=O)C(=O)CC1=CC=C(O)C=C1	InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
HMDB00706	L-Aspartyl-L-phenylalanine	N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1
HMDB00705	Hexanoylcarnitine	CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3
HMDB00704	Isoxanthopterin	NC1=NC(=O)C2=C(N1)NC(=O)C=N2	InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
HMDB00703	Mandelic acid	O[C@H](C(O)=O)C1=CC=CC=C1	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
HMDB00701	Hexanoylglycine	CCCCCC(=O)NCC(O)=O	InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
HMDB00700	Hydroxypropionic acid	OCCC(O)=O	InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
HMDB52443	TG(18:2(9Z,12Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,29,32,56H,4-12,14-15,17-19,21,24,26-28,30-31,33-55H2,1-3H3/b16-13-,23-20-,25-22-,32-29-
HMDB04284	Tyrosol	OCCC1=CC=C(O)C=C1	InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
HMDB55633	TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-6,9,12-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB52442	TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,19-20,22,26,28-29,31,35,38,55H,4-16,18,21,23-25,27,30,32-34,36-37,39-54H2,1-3H3/b20-17-,22-19-,29-26-,31-28-,38-35-
HMDB55632	TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43,45-46,48,60H,4-6,9,12-15,22-24,31-33,40-42,44,47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB52441	TG(18:2(9Z,12Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,28-29,31-32,56H,4-18,21,24-27,30,33-55H2,1-3H3/b22-19-,23-20-,31-28-,32-29-
HMDB47092	TG(24:0/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,41,44,64H,4-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-63H2,1-3H3/b20-17-,29-26-,36-34-,44-41-
HMDB52440	TG(18:2(9Z,12Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-35-31-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,54H,4-18,20-21,23-26,28,30-53H2,1-3H3/b22-19-,29-27-
HMDB52447	TG(18:2(9Z,12Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,31-32,34,37,40,59H,4-15,17-18,21-22,24,26-27,30,33,35-36,38-39,41-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,34-29-,40-37-
HMDB47090	TG(24:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,39,45,48,62H,4-16,18-19,21-25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,39-37-,48-45-
HMDB57205	CL(18:0/18:2(9Z,12Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,37,41,76-78,83H,5-24,27-28,31-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,41-37-/t76?,77-,78-/m1/s1
HMDB52446	TG(18:2(9Z,12Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,34,59H,4-15,17-18,21-22,24,26-27,30-33,35-58H2,1-3H3/b19-16-,23-20-,28-25-,34-29-
HMDB52218	TG(24:1(15Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,42-43,45-46,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-
HMDB47091	TG(24:0/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-
HMDB55248	TG(18:3(9Z,12Z,15Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,40,62H,4-7,10,13-16,19,22-24,30-35,38-39,41-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-
HMDB52445	TG(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,35,41,44,57H,4-15,17-18,21-22,24,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,35-33-,44-41-
HMDB52212	TG(24:1(15Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,42-43,45-46,66H,4-16,19,22-24,31-34,36-37,39-41,44,47-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-
HMDB52213	TG(24:1(15Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,42-43,45-46,52,55,66H,4-16,19,22-24,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-
HMDB52210	TG(24:1(15Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,40-41,43,47,50,64H,4-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB52211	TG(24:1(15Z)/20:3n6/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,42,45,66H,4-16,19,22-24,31-41,43-44,46-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,45-42-
HMDB52216	TG(24:1(15Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-
HMDB52217	TG(24:1(15Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,47,50,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB06668	O-(N-acetyl-a-neuraminosyl)-(2-&gt;3)-O-b-D-galactopyranosyl-(1-&gt;4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1-&gt;3)-O-b-D-galactopyranosyl-(1-&gt;4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1-&gt;3)-O-b-D-galactopyranosyl-(1-&gt;4)- D-Gluc	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)OC1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O	InChI=1S/C51H85N3O39/c1-13(63)52-25-16(66)4-51(50(80)81,92-41(25)29(71)18(68)6-56)93-44-32(74)22(10-60)84-49(37(44)79)89-40-24(12-62)86-46(27(34(40)76)54-15(3)65)91-43-31(73)21(9-59)83-48(36(43)78)88-39-23(11-61)85-45(26(33(39)75)53-14(2)64)90-42-30(72)20(8-58)82-47(35(42)77)87-38(19(69)7-57)28(70)17(67)5-55/h5,16-49,56-62,66-79H,4,6-12H2,1-3H3,(H,52,63)(H,53,64)(H,54,65)(H,80,81)/t16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45?,46-,47-,48-,49-,51-/m0/s1
HMDB06669	O-(N-acetyl-a-neuraminosyl)-(2-&gt;6)-O-b-D-galactopyranosyl-(1-&gt;4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1-&gt;3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1-&gt;3)-O-[b-D-galactopyranosyl-(1-&gt;4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1-&gt;6)]-O-b-D-mannopyr	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(OC[C@H]3O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C57H95N3O43/c1-14-30(74)37(81)40(84)52(92-14)101-48-29(60-17(4)69)50(94-24(11-66)46(48)100-53-41(85)38(82)33(77)22(9-64)93-53)90-12-25-35(79)49(43(87)55(96-25)98-44(21(73)8-63)31(75)19(71)6-61)102-51-28(59-16(3)68)36(80)45(23(10-65)95-51)99-54-42(86)39(83)34(78)26(97-54)13-91-57(56(88)89)5-18(70)27(58-15(2)67)47(103-57)32(76)20(72)7-62/h6,14,18-55,62-66,70-87H,5,7-13H2,1-4H3,(H,58,67)(H,59,68)(H,60,69)(H,88,89)/t14-,18-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50?,51-,52-,53-,54-,55-,57+/m0/s1
HMDB04138	Gold	[Au+]	InChI=1S/Au/q+1
HMDB47094	TG(24:0/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,34,60H,4-7,9-10,12-16,18-19,21-25,27-33,35-59H2,1-3H3/b11-8-,20-17-,34-26-
HMDB54119	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB54118	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-36,41-42,44-45,58H,4-6,8-9,11-15,18,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB54117	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-36,42,45,58H,4-6,8-9,11-15,18,22-23,27,30-32,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,45-42-
HMDB04135	Poly-g-D-glutamate	N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C20H30N4O12/c21-10(17(29)30)3-6-14(26)23-12(19(33)34)5-8-16(28)24-13(20(35)36)4-7-15(27)22-11(18(31)32)2-1-9-25/h9-13H,1-8,21H2,(H,22,27)(H,23,26)(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t10-,11-,12-,13-/m1/s1
HMDB04136	D-Threitol	OC[C@@H](O)[C@H](O)CO	InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
HMDB47095	TG(24:0/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,34,40,43,60H,4-7,9-10,12-16,18-19,21-25,27-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,34-26-,43-40-
HMDB54113	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-15,18,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB54112	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,35,37,43,46,60H,4-15,18,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,37-35-,46-43-
HMDB54110	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,38,41,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,41-38-
HMDB40648	Gibberellin A92	CC12C=CC(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h4-5,10-13,20,24H,1,3,6-8H2,2H3,(H,21,22)
HMDB40649	Gibberellin A7; 16,17-Dihydro, 16a,17-dihydroxy, 17-O-b-D-glucopyranoside	CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(O)(COC1OC(CO)C(O)C(O)C1O)C5	InChI=1S/C25H34O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h4-5,10-18,20,26-30,34H,2-3,6-9H2,1H3,(H,31,32)
HMDB40646	Myrsinone	CCCCCCCCCCCC1=CC(=O)C(O)=C(O)C1=O	InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(18)16(20)17(21)15(13)19/h12,20-21H,2-11H2,1H3
HMDB40647	Gibberellin A4; 16,17-Dihydro, 16a,17-dihydroxy, 17-O-b-D-glucopyranoside	CC12C3C(C(O)=O)C45CC(CCC4C3(CCC1O)OC2=O)C(O)(COC1OC(CO)C(O)C(O)C1O)C5	InChI=1S/C25H36O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h10-18,20,26-30,34H,2-9H2,1H3,(H,31,32)
HMDB40644	Juvocimene 2	COC1=CC=C(\C=C/CC(\C=C(\C)C=C)C2OC2(C)C)C=C1	InChI=1S/C20H26O2/c1-6-15(2)14-17(19-20(3,4)22-19)9-7-8-16-10-12-18(21-5)13-11-16/h6-8,10-14,17,19H,1,9H2,2-5H3/b8-7-,15-14-
HMDB40645	3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone	OCCC(=O)C1=CC=C(O)C=C1	InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
HMDB40642	[10]-Paradol	CCCCCCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h14,16-17,23H,3-13,15H2,1-2H3
HMDB40643	Juvocimene 1	COC1=CC=C(\C=C/CC(C=C(C)C)\C=C(\C)C=C)C=C1	InChI=1S/C20H26O/c1-6-17(4)15-19(14-16(2)3)9-7-8-18-10-12-20(21-5)13-11-18/h6-8,10-15,19H,1,9H2,2-5H3/b8-7-,17-15-
HMDB40640	[8]-Paradol	CCCCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h12,14-15,21H,3-11,13H2,1-2H3
HMDB40641	Paradol; [8]Paradol, Ac	CCCCCCCCCC(=O)CCC1=CC(OC)=C(OC(C)=O)C=C1	InChI=1S/C21H32O4/c1-4-5-6-7-8-9-10-11-19(23)14-12-18-13-15-20(25-17(2)22)21(16-18)24-3/h13,15-16H,4-12,14H2,1-3H3
HMDB48093	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,30,33,48H,4-14,17,21-22,26-29,31-32,34-47H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,33-30-
HMDB48092	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14-19,23-24,28,31,46H,4-13,20-22,25-27,29-30,32-45H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,31-28-
HMDB48091	TG(14:1(9Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(56)59-52(51-58-53(55)47-44-41-38-35-32-21-18-15-12-9-6-3)50-57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,26,28,52H,4-14,16-17,20-21,23-25,27,29-51H2,1-3H3/b18-15-,22-19-,28-26-
HMDB48090	TG(14:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-31,33,36,42,45,55H,4-6,8-9,11-14,17,21-22,25,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,36-33-,45-42-
HMDB48097	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28-30,34,36-37,39,52H,4-14,16,19,21-23,27,31-33,35,38,40-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB48096	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28,34,37,52H,4-14,16,19,21-23,27,29-33,35-36,38-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-,37-34-
HMDB48095	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,35,50H,4-14,16,19,21-23,28-31,33-34,36-49H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,35-32-
HMDB48094	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-20,22,25,27,32,35,50H,4-14,16,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b18-15-,20-17-,22-19-,27-25-,35-32-
HMDB48099	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,32,38,41,56H,4-14,16,19,21-23,27-31,33-37,39-40,42-55H2,1-3H3/b18-15-,20-17-,26-24-,32-25-,41-38-
HMDB48098	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,30,36,39,54H,4-14,16,19,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b18-15-,20-17-,26-24-,30-25-,39-36-
HMDB51549	TG(22:1(13Z)/16:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,58H,4-16,18-19,22-23,29-32,34-35,37-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-
HMDB51548	TG(22:1(13Z)/16:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,57H,4-13,15-16,18-20,22,28-56H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB59323	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,42-43,45-46,50-52,54-56,62,64,66,68,85-87,92H,5-8,10-12,14-20,24,29-31,36,40-41,44,47-49,53,57-61,63,65,67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-,68-64-/t85?,86-,87-/m1/s1
HMDB59322	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,41-42,44-45,48,50-54,60,62,64,66,83-85,90H,5-8,10-12,14-20,24,29-31,39-40,43,46-47,49,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB59321	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,42-43,45-46,50-52,54-56,62,64,66,68,85-87,92H,5-8,10-12,14-20,24,28-32,36,40-41,44,47-49,53,57-61,63,65,67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-,68-64-/t85?,86-,87-/m1/s1
HMDB35822	6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid; (x,E)-form, b-D-Glucopyranosyl ester	C\C(=C\CCC(C)(O)C=C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H26O8/c1-4-16(3,22)7-5-6-9(2)14(21)24-15-13(20)12(19)11(18)10(8-17)23-15/h4,6,10-13,15,17-20,22H,1,5,7-8H2,2-3H3/b9-6-
HMDB35823	(S)-p-Menth-1-en-4-ol	CC(C)[C@]1(O)CCC(C)=CC1	InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1
HMDB35820	(R)-Citronellal	C[C@H](CCC=C(C)C)CC=O	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
HMDB35821	Momordicoside G	COC(C)(C)\C=C\CC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C	InChI=1S/C37H60O8/c1-22(10-9-15-32(2,3)42-8)23-13-16-35(7)25-14-17-37-26(36(25,21-43-37)19-18-34(23,35)6)11-12-27(33(37,4)5)45-31-30(41)29(40)28(39)24(20-38)44-31/h9,14-15,17,22-31,38-41H,10-13,16,18-21H2,1-8H3/b15-9+
HMDB35826	Faradiol	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC=C1C	InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h11,19-25,31-32H,9-10,12-17H2,1-8H3
HMDB35827	Aubergenone	CC1C2CC(CCC2(C)C=CC1=O)C(C)(C)O	InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,10-12,17H,5,7,9H2,1-4H3
HMDB35824	Carvone	CC(=C)C1CC=C(C)C(=O)C1	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
HMDB35825	(-)-Dihydrocarveol	C[C@@H]1CC[C@H](C[C@H]1O)C(C)=C	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1
HMDB51895	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-7,10,13-16,19,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB51894	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,33,35-36,41,44,50,53,62H,4-7,10,13-16,19,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB35828	Lactupicrin	CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O	InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3
HMDB35829	Dihydronepetalactone	CC1CCC2C1C(=O)OCC2C	InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3
HMDB51891	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,36,39,45,48,54,57,66H,4-8,10-11,13-15,17,20,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB51890	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB51893	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB51892	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB52893	TG(18:3(6Z,9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-
HMDB59324	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,42-43,45-47,50-52,54-56,62,64,66,68,85-87,92H,5-8,10-12,14-20,24,28-32,40-41,44,48-49,53,57-61,63,65,67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,54-50-,55-51-,56-52-,66-62-,68-64-/t85?,86-,87-/m1/s1
HMDB07539	DG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,39,42H,3-4,6,8-10,15-16,20,24-25,27,29-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1
HMDB07538	DG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,39,42H,3-4,6,8-10,15-16,20,24-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-/t39-/m0/s1
HMDB09559	PE(22:2(13Z,16Z)/20:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45H,3-10,12,14-16,18,20-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-/t45-/m1/s1
HMDB09558	PE(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,28,30,43H,3-5,7,9-10,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,23-18-,30-28-/t43-/m1/s1
HMDB09555	PE(22:2(13Z,16Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,43H,3-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-/t43-/m1/s1
HMDB09554	PE(22:2(13Z,16Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,43H,3-10,12,14-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,23-18-/t43-/m1/s1
HMDB09557	PE(22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,43H,3-5,7,9-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,23-18-/t43-/m1/s1
HMDB09556	PE(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,28,30,43H,3-10,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-,30-28-/t43-/m1/s1
HMDB09551	PE(22:2(13Z,16Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,41H,3-10,12,15,19-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-/t41-/m1/s1
HMDB09550	PE(22:2(13Z,16Z)/16:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,41H,3-10,12,14-16,19-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-/t41-/m1/s1
HMDB09553	PE(22:2(13Z,16Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,43H,3-10,12,15,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-/t43-/m1/s1
HMDB09552	PE(22:2(13Z,16Z)/18:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,43H,3-10,12,14-16,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-/t43-/m1/s1
HMDB35798	Piperdial	CC1C=C(C=O)C(C=O)C(O)C2CC(C)(C)CC12	InChI=1S/C15H22O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7-9,11-14,18H,5-6H2,1-3H3
HMDB59328	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67,69,71,89-91,96H,5-9,12-13,16-20,29-32,41-43,47,51-52,54,61,63-64,66,68,70,72-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-/t89?,90-,91-/m1/s1
HMDB35790	Matricarin	CC1C2C(OC1=O)C1C(C)=CC(=O)C1=C(C)CC2OC(C)=O	InChI=1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3
HMDB35791	Desoxoglabrolide	CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C1C2	InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3
HMDB35792	(E)-4,8-Dimethyl-1,3,7-nonatriene	CC(C)=CCC\C(C)=C\C=C	InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3/b11-7+
HMDB35793	Fukinone	CC1CCCC2CC(=O)C(CC12C)=C(C)C	InChI=1S/C15H24O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h11-12H,5-9H2,1-4H3
HMDB35794	beta-Costic acid	CC12CCCC(=C)C1CC(CC2)C(=C)C(O)=O	InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)
HMDB35795	gamma-Mangostin	CC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CC=C(C)C)=C3C2=O)C=C1O	InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
HMDB35796	alpha-Mangostin	COC1=C(O)C=C2OC3=C(C(O)=C(CC=C(C)C)C(O)=C3)C(=O)C2=C1CC=C(C)C	InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
HMDB35797	Ganoderenic acid E	CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O	InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-19,25,32,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+
HMDB33309	Moracin F	COC1=C(OC)C=C2C=C(OC2=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C16H14O5/c1-19-15-6-10-5-13(21-14(10)8-16(15)20-2)9-3-11(17)7-12(18)4-9/h3-8,17-18H,1-2H3
HMDB33308	Moracin J	COC1=C(O)C=C2C=C(OC2=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C15H12O5/c1-19-15-7-14-9(4-12(15)18)5-13(20-14)8-2-10(16)6-11(17)3-8/h2-7,16-18H,1H3
HMDB33305	Isomedicarpin	COC1=CC=C2C3OC4=CC(O)=CC=C4C3COC2=C1	InChI=1S/C16H14O4/c1-18-10-3-5-12-14(7-10)19-8-13-11-4-2-9(17)6-15(11)20-16(12)13/h2-7,13,16-17H,8H2,1H3
HMDB33304	Gerberinol	CC1=CC=CC2=C1C(O)=C(CC1=C(O)C3=C(OC1=O)C=CC=C3C)C(=O)O2	InChI=1S/C21H16O6/c1-10-5-3-7-14-16(10)18(22)12(20(24)26-14)9-13-19(23)17-11(2)6-4-8-15(17)27-21(13)25/h3-8,22-23H,9H2,1-2H3
HMDB33307	Moracin M	OC1=CC=C2C=C(OC2=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H
HMDB33306	Hymenoxin	COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1	InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)18(25-3)16(22)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3
HMDB33301	Guaiacylglycerol; (1RS,2RS)-form, 2-O-b-D-Glucopyranoside	COC1=C(O)C=CC(=C1)C(O)C(CO)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H24O10/c1-24-9-4-7(2-3-8(9)19)12(20)10(5-17)25-16-15(23)14(22)13(21)11(6-18)26-16/h2-4,10-23H,5-6H2,1H3
HMDB33300	Guaiacylglycerol; (1RS,2RS)-form, 1-O-b-D-Glucopyranoside	COC1=C(O)C=CC(=C1)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO	InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)19)15(9(20)5-17)26-16-14(23)13(22)12(21)11(6-18)25-16/h2-4,9,11-23H,5-6H2,1H3
HMDB33303	Anofinic acid	CC1(C)OC2=C(C=C1)C=C(C=C2)C(O)=O	InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)
HMDB33302	(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one	CC1CC(O)CC(=O)O1	InChI=1S/C6H10O3/c1-4-2-5(7)3-6(8)9-4/h4-5,7H,2-3H2,1H3
HMDB41111	(3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol	CC(CCC=C(C)C)C1CCC2(C)C3C(O)CC4CC(O)CCC4(C)C3=CCC12C	InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-11-15-28(6)25-23(12-14-27(22,28)5)26(4)13-10-21(29)16-20(26)17-24(25)30/h8,12,19-22,24-25,29-30H,7,9-11,13-17H2,1-6H3
HMDB41110	Eucalyptone	CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC(=O)C1C1C(CCC(C)=O)C1(C)C	InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3
HMDB41113	Artonin U	COC1=CC(O)=C2C(=O)C=C(OC2=C1CC=C(C)C)C1=CC=C(O)C=C1	InChI=1S/C21H20O5/c1-12(2)4-9-15-19(25-3)11-17(24)20-16(23)10-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10-11,22,24H,9H2,1-3H3
HMDB41112	(3alpha,5alpha,7alpha)-14-Methylergosta-9(11),24(28)-dien-3,7-diol	CC(C)C(=C)CCC(C)C1CCC2(C)C3C(O)CC4CC(O)CCC4(C)C3=CCC12C	InChI=1S/C29H48O2/c1-18(2)19(3)8-9-20(4)23-11-15-29(7)26-24(12-14-28(23,29)6)27(5)13-10-22(30)16-21(27)17-25(26)31/h12,18,20-23,25-26,30-31H,3,8-11,13-17H2,1-2,4-7H3
HMDB41115	Perilloside E	COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=C(OCO2)C=C1CC=C	InChI=1S/C17H22O9/c1-3-4-8-5-9-15(24-7-23-9)16(14(8)22-2)26-17-13(21)12(20)11(19)10(6-18)25-17/h3,5,10-13,17-21H,1,4,6-7H2,2H3
HMDB41114	Artonin V	CC(C)=CCC1=C2OC(=C(CC=C(C)C)C(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1O	InChI=1S/C25H26O7/c1-12(2)5-7-14-17(26)11-21(30)22-23(31)15(8-6-13(3)4)24(32-25(14)22)16-9-19(28)20(29)10-18(16)27/h5-6,9-11,26-30H,7-8H2,1-4H3
HMDB41117	Camelliatannin F	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC34C1C1OC(=O)C3C(=C(O)C4=O)C3=C(O)C(O)=C(O)C=C3C(=O)OC1C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC1O)C=C2O	InChI=1S/C48H34O26/c49-15-2-1-10(3-17(15)51)38-21(55)4-11-16(50)8-23-27(39(11)70-38)29-41-42(73-46(67)14-7-20(54)33(59)36(62)26(14)28-30(47(68)72-41)48(29,74-23)43(64)37(28)63)40-22(56)9-69-44(65)12-5-18(52)31(57)34(60)24(12)25-13(45(66)71-40)6-19(53)32(58)35(25)61/h1-3,5-8,21-22,29-30,38,40-42,49-63H,4,9H2
HMDB41116	Kanzonol L	CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC=C(C(=O)C2=C1O)C1=C2OC(C)(C)C=CC2=C(O)C=C1	InChI=1S/C30H32O6/c1-16(2)7-9-20-25(32)21(10-8-17(3)4)29-24(26(20)33)27(34)22(15-35-29)18-11-12-23(31)19-13-14-30(5,6)36-28(18)19/h7-8,11-15,31-33H,9-10H2,1-6H3
HMDB41119	Camelliatannin H	OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1C(OC2=O)C(O)OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC12	InChI=1S/C68H48O44/c69-20-1-12(2-21(70)37(20)77)59(92)109-55-53-29(10-102-60(93)13-3-22(71)38(78)45(85)31(13)33-15(62(95)107-53)5-24(73)40(80)47(33)87)105-67(100)57(55)112-66(99)19-8-27(76)43(83)51(91)52(19)104-28-9-18-36(50(90)44(28)84)35-17(7-26(75)42(82)49(35)89)64(97)110-56-54-30(106-68(101)58(56)111-65(18)98)11-103-61(94)14-4-23(72)39(79)46(86)32(14)34-16(63(96)108-54)6-25(74)41(81)48(34)88/h1-9,29-30,53-58,67-91,100-101H,10-11H2
HMDB41118	Camelliatannin G	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC34C1C1OC(=O)C3=C(C3=C(O)C(O)=C(O)C=C3C(=O)OC1C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC1O)C(O)(OC4=O)C(O)=O)C=C2O	InChI=1S/C49H34O29/c50-15-2-1-10(3-17(15)52)37-21(56)4-11-16(51)8-23-27(38(11)73-37)29-40-41(39-22(57)9-72-42(64)12-5-18(53)31(58)34(61)24(12)25-13(43(65)74-39)6-19(54)32(59)35(25)62)76-44(66)14-7-20(55)33(60)36(63)26(14)28-30(45(67)75-40)48(29,77-23)47(70)78-49(28,71)46(68)69/h1-3,5-8,21-22,29,37,39-41,50-63,71H,4,9H2,(H,68,69)
HMDB46729	TG(22:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,50,53,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB46728	TG(22:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-
HMDB43579	TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,57H,4-15,17-18,20-24,29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-
HMDB43578	TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,55H,4-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-
HMDB51351	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34-39,43-48,60H,4-6,8,11,13-15,17,20,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB43575	TG(15:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,51H,4-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-
HMDB43574	TG(15:0/22:4(7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,40,43,61H,4-16,18-19,21-25,27,29-32,34-35,37-39,41-42,44-60H2,1-3H3/b20-17-,28-26-,36-33-,43-40-
HMDB43577	TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,55H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-
HMDB43576	TG(15:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,35,53H,4-15,17-18,21-22,24,27,30-31,33-34,36-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-32-
HMDB43571	TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,55H,4-15,17-18,20-24,26,28,31-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,37-34-
HMDB43570	TG(15:0/22:4(7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,53H,4-15,17-18,20-24,27,30-31,33-34,36-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-
HMDB43573	TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,38,41,59H,4-16,18-19,21-25,27,29-31,33,35-37,39-40,42-58H2,1-3H3/b20-17-,28-26-,34-32-,41-38-
HMDB34066	29-Methylisofucosterol	CC\C=C(\CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8-
HMDB43572	TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,57H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,27-25-,32-30-,39-36-
HMDB34061	Withaperuvin H	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4SCC(O)OC5C=CC(=O)C(C)(C3CCC12C)C45O	InChI=1S/C30H42O9S/c1-15-12-21(39-24(33)16(15)2)27(5,34)29(36)11-10-28(35)18-13-22-30(37)20(38-23(32)14-40-22)7-6-19(31)26(30,4)17(18)8-9-25(28,29)3/h6-7,17-18,20-23,32,34-37H,8-14H2,1-5H3
HMDB03540	3'-AMP	NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
HMDB03543	Butanal	CCCC=O	InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
HMDB39028	Celereoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=C(O)C3=C(OC(=O)C=C3)C=C2O1	InChI=1S/C20H24O10/c1-20(2,30-19-18(26)17(25)16(24)12(7-21)29-19)13-5-9-11(27-13)6-10-8(15(9)23)3-4-14(22)28-10/h3-4,6,12-13,16-19,21,23-26H,5,7H2,1-2H3
HMDB39029	Pyranomammea B	CCCC1=CC(=O)OC2=C1C(O)=C1CC(O)C(C)(C)OC1=C2C(=O)C(C)CC	InChI=1S/C22H28O6/c1-6-8-12-9-15(24)27-21-16(12)19(26)13-10-14(23)22(4,5)28-20(13)17(21)18(25)11(3)7-2/h9,11,14,23,26H,6-8,10H2,1-5H3
HMDB39026	Isobyakangelicin; (R)-form, 3'-O-b-D-Glucopyranoside	COC1=C2OC=CC2=C(OCC(O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C2=C1OC(=O)C=C2	InChI=1S/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-18-10-4-5-14(26)34-20(10)21(30-3)19-11(18)6-7-31-19/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3
HMDB39027	Celereoin	CC(C)(O)C1CC2=C(O)C3=C(OC(=O)C=C3)C=C2O1	InChI=1S/C14H14O5/c1-14(2,17)11-5-8-10(18-11)6-9-7(13(8)16)3-4-12(15)19-9/h3-4,6,11,16-17H,5H2,1-2H3
HMDB39024	5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-b,y-carotenal	C\C(C=O)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C30H40O3/c1-22(14-10-16-24(3)21-31)12-8-9-13-23(2)15-11-17-25(4)27-18-28-29(5,6)19-26(32)20-30(28,7)33-27/h8-18,21,26-27,32H,19-20H2,1-7H3/b9-8+,14-10+,15-11+,22-12+,23-13+,24-16-,25-17-
HMDB39025	Naphthoherniarin	COC1=CC(=O)C2=C(C1=O)C(=CC(C)=C2)C1=CC2=C(OC(=O)C=C2)C=C1OC	InChI=1S/C22H16O6/c1-11-6-14(21-15(7-11)16(23)9-19(27-3)22(21)25)13-8-12-4-5-20(24)28-17(12)10-18(13)26-2/h4-10H,1-3H3
HMDB39022	Unknown 370	C\C(CC=C)=C\C=C\C=C(/C)\C=C/C=C(/C)C(O)\C=C1/C(C)(C)CC(O)CC1(C)O	InChI=1S/C27H40O3/c1-8-12-20(2)13-9-10-14-21(3)15-11-16-22(4)24(29)17-25-26(5,6)18-23(28)19-27(25,7)30/h8-11,13-17,23-24,28-30H,1,12,18-19H2,2-7H3/b10-9+,15-11-,20-13-,21-14+,22-16-,25-17+
HMDB39023	beta-Carotenone	CC(=O)CCCC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C/C=C(/C)\C=C\C=C(/C)\C=C/C(=O)C(C)(C)CCCC(C)=O	InChI=1S/C40H56O4/c1-31(19-13-21-33(3)25-27-37(43)39(7,8)29-15-23-35(5)41)17-11-12-18-32(2)20-14-22-34(4)26-28-38(44)40(9,10)30-16-24-36(6)42/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25-,28-26+,31-17-,32-18+,33-21+,34-22+
HMDB39020	5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol	C\C(\C=C\CO)=C/C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C27H38O3/c1-20(11-7-8-12-21(2)14-10-16-28)13-9-15-22(3)24-17-25-26(4,5)18-23(29)19-27(25,6)30-24/h7-15,17,23-24,28-29H,16,18-19H2,1-6H3/b8-7+,13-9+,14-10+,20-11+,21-12+,22-15-
HMDB39021	5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol	C\C(\C=C/CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C27H38O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-17,24,28-29H,18-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14-
HMDB31233	Ethyl hydrogen sulfate	CCOS(O)(=O)=O	InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)
HMDB31232	Monoethyl carbonate	CCOC(O)=O	InChI=1S/C3H6O3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)
HMDB31231	xi-2-Ethyl-1-hexanol	CCCCC(CC)CO	InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
HMDB31230	2-Ethylhexanoic acid	CCCCC(CC)C(O)=O	InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
HMDB34060	6-O-Acetylarbutin	CC(=O)OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C14H18O8/c1-7(15)20-6-10-11(17)12(18)13(19)14(22-10)21-9-4-2-8(16)3-5-9/h2-5,10-14,16-19H,6H2,1H3
HMDB31236	3'-Geranyl-2',4,4',6'-tetrahydroxychalcone	CC(C)=CCC\C(C)=C\CC1=C(O)C=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O	InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-12,14-15,26,28-30H,4,6,13H2,1-3H3/b14-10+,17-7+
HMDB31235	(E)-2',4,4',6'-Tetrahydroxy-3',5'-diprenylchalcone	CC(C)=CCC1=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C(CC=C(C)C)=C1O	InChI=1S/C25H28O5/c1-15(2)5-12-19-23(28)20(13-6-16(3)4)25(30)22(24(19)29)21(27)14-9-17-7-10-18(26)11-8-17/h5-11,14,26,28-30H,12-13H2,1-4H3/b14-9+
HMDB31234	3,3'-Bis(4''-hydroxyanigorufone)	OC1=CC=C(C=C1)C1=C2C(=O)C(O)=C(C3=CC=CC(C=C1)=C23)C1=C(O)C(=O)C2=C(C=CC3=C2C1=CC=C3)C1=CC=C(O)C=C1	InChI=1S/C38H22O6/c39-23-13-7-19(8-14-23)25-17-11-21-3-1-5-27-29(21)31(25)35(41)37(43)33(27)34-28-6-2-4-22-12-18-26(20-9-15-24(40)16-10-20)32(30(22)28)36(42)38(34)44/h1-18,39-40,43-44H
HMDB31239	Ethyl nitrite	CCON=O	InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
HMDB31238	Ethyl methyl sulfide	CCSC	InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3
HMDB30542	Neohesperidin dihydrochalcone	COC1=CC=C(CCC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O)C=C1O	InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3
HMDB30543	Norartocarpetin	OC1=CC=C(C(O)=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
HMDB30540	2,5-Dimethylphenol	CC1=CC=C(C)C(O)=C1	InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
HMDB30541	3,3',4',7-Tetrahydroxyflavan	OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C=C(O)C=C2	InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2
HMDB30546	4',5-Dihydroxy-7,8-dimethoxyflavone	COC1=C(OC)C2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C=C1	InChI=1S/C17H14O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
HMDB30547	3,4',5,7-Tetrahydroxy-6-methoxyflavone	COC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC=C(O)C=C2)C=C1O	InChI=1S/C16H12O7/c1-22-16-9(18)6-10-11(13(16)20)12(19)14(21)15(23-10)7-2-4-8(17)5-3-7/h2-6,17-18,20-21H,1H3
HMDB30544	Gnaphaliin	COC1=C(O)C=C(O)C2=C1OC(=C(OC)C2=O)C1=CC=CC=C1	InChI=1S/C17H14O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3
HMDB30545	5-Hydroxy-7,8-dimethoxyflavonol	COC1=C(OC)C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=CC=C1	InChI=1S/C17H14O6/c1-21-11-8-10(18)12-13(19)14(20)15(9-6-4-3-5-7-9)23-17(12)16(11)22-2/h3-8,18,20H,1-2H3
HMDB45960	TG(20:0/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-
HMDB45961	TG(20:0/20:3n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,38,41,62H,4-15,17,20,22-24,26,29,31-37,39-40,42-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,41-38-
HMDB30548	Nepitrin	COC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1
HMDB30549	5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one	COC1=CC(=O)OC(CCC2=CC=C(OC)C=C2)C1	InChI=1S/C15H18O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,10,13H,5,8-9H2,1-2H3
HMDB45964	TG(20:0/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,34,37,58H,4-8,10-11,13-16,19,22-25,28,30-31,33,35-36,38-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,37-34-
HMDB45965	TG(20:0/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,34,37-38,41,58H,4-8,10-11,13-16,19,22-25,28,30-31,33,35-36,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-
HMDB45966	TG(20:0/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-
HMDB45967	TG(20:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-
HMDB39794	4-Octenoic acid, 9CI; (Z)-form, Me ester	CCC\C=C\CCC(=O)OC	InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
HMDB39795	4-Octenoic acid, 9CI; (Z)-form, Et ester	CCC\C=C\CCC(=O)OCC	InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
HMDB39796	4,5-Dihydro-5-methyl-3-thiophenethiol	CC1CC(S)=CS1	InChI=1S/C5H8S2/c1-4-2-5(6)3-7-4/h3-4,6H,2H2,1H3
HMDB39797	Dihydro-4-mercapto-5-methyl-3(2H)-thiophenone	CC1SCC(=O)C1S.CC1SC=C(O)C1S	InChI=1S/2C5H8OS2/c2*1-3-5(7)4(6)2-8-3/h3,5,7H,2H2,1H3;2-3,5-7H,1H3
HMDB39790	Tetrahydro-2-methyl-3-thiophenethiol	CC1SCCC1S	InChI=1S/C5H10S2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
HMDB39791	2,3-Dihydro-5-methyl-3-thiophenethiol	CC1=CC(S)CS1	InChI=1S/C5H8S2/c1-4-2-5(6)3-7-4/h2,5-6H,3H2,1H3
HMDB39792	4,5-Dihydro-2-methyl-3-thiophenethiol	CC1=C(S)CCS1	InChI=1S/C5H8S2/c1-4-5(6)2-3-7-4/h6H,2-3H2,1H3
HMDB39793	(E)-4-Octenoic acid	CCC\C=C\CCC(O)=O	InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)/b5-4+
HMDB47180	TG(24:0/14:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,60H,4-14,16-17,19-24,26,28-59H2,1-3H3/b18-15-,27-25-
HMDB47181	TG(24:0/14:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,62H,4-14,16-17,19-23,25,27-61H2,1-3H3/b18-15-,26-24-
HMDB47182	TG(24:0/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,33,57H,4-14,16-17,19,21-22,24-26,28-32,34-56H2,1-3H3/b18-15-,23-20-,33-27-
HMDB47183	TG(24:0/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,32,37,39,56H,4-14,16,19,21-24,26-31,33-36,38,40-55H2,1-3H3/b18-15-,20-17-,32-25-,39-37-
HMDB39798	5-Methyl-3-furanthiol	CC1=CC(S)=CO1	InChI=1S/C5H6OS/c1-4-2-5(7)3-6-4/h2-3,7H,1H3
HMDB39799	Tetrahydro-2-methyl-3-furanol	CC1OCCC1O	InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
HMDB47186	TG(24:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,41,44,58H,4-14,16,19,21-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-,44-41-
HMDB47187	TG(24:0/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,60H,4-14,16,19,21-24,26,28-59H2,1-3H3/b18-15-,20-17-,27-25-
HMDB08633	PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30,46H,6-8,10,12-13,18-19,23,27,29,31-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1
HMDB08632	PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,28,30-31,33,46H,6-13,18-19,23,27,29,32,34-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1
HMDB08631	PC(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,28,30,46H,6-13,18-19,23,27,29,31-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1
HMDB08630	PC(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,28,30,46H,6-13,15,17-19,23,27,29,31-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1
HMDB08637	PC(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,30,32,48H,6-13,18-19,24,26,28-29,31,33-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,32-30-/t48-/m1/s1
HMDB08636	PC(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,30,32,48H,6-13,15,17-19,24,26,28-29,31,33-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,32-30-/t48-/m1/s1
HMDB08635	PC(22:4(7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,30,32,48H,6-13,15,17-19,21,23-24,26,28-29,31,33-47H2,1-5H3/b16-14-,22-20-,27-25-,32-30-/t48-/m1/s1
HMDB08634	PC(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30-31,33,46H,6-8,10,12-13,18-19,23,27,29,32,34-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1
HMDB08639	PC(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,29-32,48H,6-13,18-19,24,26,28,33-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-/t48-/m1/s1
HMDB08638	PC(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,29-32,35,37,48H,6-13,15,17-19,24,26,28,33-34,36,38-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1
HMDB31498	(Z)-3-Hexenal	CC\C=C/CC=O	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
HMDB31497	3-Hexenal	CCC=CCC=O	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+
HMDB31496	2-Hexenal	CCCC=CC=O	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
HMDB31493	3-Hexanol	CCCC(O)CC	InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3
HMDB31492	3,4-Hexanedione	CCC(=O)C(=O)CC	InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
HMDB31491	2,3-Hexanedione	CCCC(=O)C(C)=O	InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
HMDB31490	()-1,5-Hexanediol	CC(O)CCCCO	InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3
HMDB38771	Sexangularetin 3-sophoroside	COC1=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(=O)C2=C(O)C=C1O	InChI=1S/C28H32O17/c1-40-23-12(33)6-11(32)15-18(36)25(22(43-24(15)23)9-2-4-10(31)5-3-9)44-28-26(20(38)17(35)14(8-30)42-28)45-27-21(39)19(37)16(34)13(7-29)41-27/h2-6,13-14,16-17,19-21,26-35,37-39H,7-8H2,1H3
HMDB38770	Kaempferol 3-(sinapoylglucoside) 7-sophoroside	COC1=CC(\C=C\C(=O)OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)OC(CO)C(O)C2O)=CC(OC)=C1O	InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)26(15-47)66-44(40)68-39-33(55)28-20(49)11-19(12-21(28)63-38(39)17-4-6-18(48)7-5-17)62-43-41(36(58)32(54)25(14-46)65-43)69-42-37(59)34(56)30(52)24(13-45)64-42/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+
HMDB38773	Formononetin 7-(2-p-hydroxybenzoylglucoside)	COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3OC(=O)C3=CC=C(O)C=C3)=CC=C2C1=O	InChI=1S/C29H26O11/c1-36-18-8-4-15(5-9-18)21-14-37-22-12-19(10-11-20(22)24(21)32)38-29-27(26(34)25(33)23(13-30)39-29)40-28(35)16-2-6-17(31)7-3-16/h2-12,14,23,25-27,29-31,33-34H,13H2,1H3
HMDB38772	8-Hydroxyluteolin 4'-methyl ether 8-glucuronide	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C2O1	InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)
HMDB38775	5,7,8-Trihydroxyflavanone 7-glucoside	OCC1OC(OC2=C(O)C3=C(C(=O)CC(O3)C3=CC=CC=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H22O10/c22-8-14-16(25)18(27)19(28)21(31-14)30-13-7-11(24)15-10(23)6-12(29-20(15)17(13)26)9-4-2-1-3-5-9/h1-5,7,12,14,16,18-19,21-22,24-28H,6,8H2
HMDB38774	5-Deoxykievitol	C\C(CO)=C/CC1=C2OCC(C(=O)C2=CC=C1O)C1=C(O)C=C(O)C=C1	InChI=1S/C20H20O6/c1-11(9-21)2-4-14-17(23)7-6-15-19(25)16(10-26-20(14)15)13-5-3-12(22)8-18(13)24/h2-3,5-8,16,21-24H,4,9-10H2,1H3/b11-2+
HMDB38777	2'',6''-Diacetylorientin	CC(=O)OCC1OC(C(OC(C)=O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C1	InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3
HMDB38776	Medicarpin 3-O-(6'-malonylglucoside)	COC1=CC2=C(C=C1)C1COC3=CC(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)=CC=C3C1O2	InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)
HMDB38779	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-(2-O-Sulfo-b-D-glucopyranoside)	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1OS(O)(=O)=O)=C(O)C=C2O	InChI=1S/C22H22O14S/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31)
HMDB38778	Batatasin I	COC1=CC2=C(C(OC)=C1)C1=C(C=C2)C=C(OC)C(O)=C1	InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
HMDB33895	Anisole	COC1=CC=CC=C1	InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
HMDB33894	Tricin 7-glucuronoside	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1	InChI=1S/C23H22O13/c1-32-14-3-8(4-15(33-2)17(14)26)12-7-11(25)16-10(24)5-9(6-13(16)35-12)34-23-20(29)18(27)19(28)21(36-23)22(30)31/h3-7,18-21,23-24,26-29H,1-2H3,(H,30,31)
HMDB33897	Ginkgoic acid	CCCCCC\C=C\CCCCCCCC1=CC=CC(O)=C1C(O)=O	InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7+
HMDB33896	Anacardic acid	CCC\C=C/C\C=C/CCCCCCCC1=C(C(O)=O)C(O)=CC=C1	InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h4-5,7-8,15,17-18,23H,2-3,6,9-14,16H2,1H3,(H,24,25)/b5-4-,8-7-
HMDB33891	2,6-Diamino-5-hydroxyhexanoic acid; (2S,5S)-form, N6-Ac	CC(=O)NCC(O)CCC(N)C(O)=O	InChI=1S/C8H16N2O4/c1-5(11)10-4-6(12)2-3-7(9)8(13)14/h6-7,12H,2-4,9H2,1H3,(H,10,11)(H,13,14)
HMDB33890	Methyl butyrate	CCCC(=O)OC	InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
HMDB33893	4,5-Dimethoxy-1,2-benzenedicarboxylic acid	COC1=CC(C(O)=O)=C(C=C1OC)C(O)=O	InChI=1S/C10H10O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
HMDB33892	Mycochromone	COC(=O)C(C(=O)OC)C1=C(OC2=CC=CC(O)=C2C1=O)C=C	InChI=1S/C16H14O7/c1-4-9-12(13(15(19)21-2)16(20)22-3)14(18)11-8(17)6-5-7-10(11)23-9/h4-7,13,17H,1H2,2-3H3
HMDB33899	Ixocarpanolide	CC1CC(OC(=O)C1C)C(C)(O)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3
HMDB33898	Carthamin	OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(\C=C2/C(=O)C(C(=O)\C=C\C3=CC=C(O)C=C3)=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C2=O)C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O	InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13+
HMDB58243	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,49-50,54,57,61,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46-48,51-53,55-56,58-60,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,49-45-,54-50-,61-57-/t81?,82-,83-/m1/s1
HMDB35075	Tanacetol B	CC(=O)O\C1=C(C)\CCC(CC(O)C(=C)CC1)C(C)(C)O	InChI=1S/C17H28O4/c1-11-7-9-16(21-13(3)18)12(2)6-8-14(10-15(11)19)17(4,5)20/h14-15,19-20H,1,6-10H2,2-5H3/b16-12+
HMDB35074	beta-Bixin	COC(=O)\C=C/C(/C)=C\C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(\C)/C=C\C(O)=O	InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9-,18-16-,19-17-,20-10-,21-11+,22-14-,23-15-
HMDB35077	(1R,4R)-p-Mentha-2,8-dien-1-ol	CC(=C)[C@@H]1CC[C@@](C)(O)C=C1	InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m0/s1
HMDB35076	2-(2-Methylpropoxy)naphthalene	CC(C)COC1=CC2=C(C=CC=C2)C=C1	InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
HMDB35071	Verimol I	COC1=CC=C(\C=C\COC(C)=O)C=C1	InChI=1S/C12H14O3/c1-10(13)15-9-3-4-11-5-7-12(14-2)8-6-11/h3-8H,9H2,1-2H3/b4-3+
HMDB35070	12alpha-Hydroxymunduserone	COC1=CC2=C(C=C1)C(=O)C1(O)C(COC3=C1C=C(OC)C(OC)=C3)O2	InChI=1S/C19H18O7/c1-22-10-4-5-11-13(6-10)26-17-9-25-14-8-16(24-3)15(23-2)7-12(14)19(17,21)18(11)20/h4-8,17,21H,9H2,1-3H3
HMDB35073	Deacetylnomilinic acid	CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(OC(=O)C4OC234)C2=COC=C2)C1(C)C(O)CC(O)=O	InChI=1S/C26H34O9/c1-22(2,32)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)30)6-8-23(3)19(13-7-9-33-12-13)34-21(31)20-26(23,25)35-20/h7,9,12,14-16,19-20,27,32H,6,8,10-11H2,1-5H3,(H,29,30)
HMDB35072	2-Methylpropyl 2-aminobenzoate	CC(C)COC(=O)C1=C(N)C=CC=C1	InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3
HMDB02392	Maslinic acid	[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
HMDB02393	N-Methyl-D-aspartic acid	CN[C@H](CC(O)=O)C(O)=O	InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
HMDB02390	3-Cresotinic acid	CC1=C(O)C(=CC=C1)C(O)=O	InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
HMDB02391	Uvaol	[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(CO)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C	InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
HMDB35079	(7alpha,10beta)-1(10-&gt;19)-Abeo-7-acetoxyisoobacun-3,10-olide	CC(=O)OC1CC2C(C)(C)OC3CC(=O)OC2(C3)C2CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1	InChI=1S/C28H34O9/c1-14(29)33-19-11-18-24(2,3)35-16-10-20(30)36-27(18,12-16)17-6-8-25(4)21(15-7-9-32-13-15)34-23(31)22-28(25,37-22)26(17,19)5/h7,9,13,16-19,21-22H,6,8,10-12H2,1-5H3
HMDB35078	Geranial	CC(C)=CCC\C(C)=C\C=O	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
HMDB02394	Cholesta-4,6-dien-3-one	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C	InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
HMDB02395	Ursolic acid	[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
HMDB58148	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,45,49-50,54,57,61-62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB58149	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38,40,44,52,56,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB08099	PC(18:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h20-21,39H,6-19,22-38H2,1-5H3/b21-20-/t39-/m1/s1
HMDB08098	PC(18:1(9Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13,15,19-20,38H,6-12,14,16-18,21-37H2,1-5H3/b15-13-,20-19-/t38-/m1/s1
HMDB08097	PC(18:1(9Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h19-20,38H,6-18,21-37H2,1-5H3/b20-19-/t38-/m1/s1
HMDB08096	PC(18:1(11Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,36,39,43H,6-16,18,21,23-35,37-38,40-42H2,1-5H3/b19-17-,22-20-,39-36-
HMDB08095	PC(18:1(11Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,36,39,43H,6-15,20-35,37-38,40-42H2,1-5H3/b18-16-,19-17-,39-36-
HMDB08094	PC(18:1(11Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,36,39,43H,6-16,18,20-35,37-38,40-42H2,1-5H3/b19-17-,39-36-
HMDB08093	PC(18:1(11Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34-
HMDB08092	PC(18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h17,19-20,22,48H,6-16,18,21,23-47H2,1-5H3/b19-17-,22-20-/t48-/m1/s1
HMDB08091	PC(18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h17,19,48H,6-16,18,20-47H2,1-5H3/b19-17-/t48-/m1/s1
HMDB08090	PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,18,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
HMDB41939	n'-nitrosoanabasine	O=NN1CCCCC1C1=CN=CC=C1	InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2
HMDB41938	moxonidine	COC1=NC(C)=NC(Cl)=C1NC1=NCCN1	InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
HMDB41937	morphine-6-glucuronide	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1
HMDB41936	morphine-3-glucuronide	[H][C@@]12OC3=C(O[C@]4([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])O	InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1
HMDB41935	moprolol	COC1=CC=CC=C1OCC(O)CNC(C)C	InChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3
HMDB41934	mizoribine	[H][C@]1(CO)O[C@@]([H])(N2C=NC(C(N)=O)=C2O)[C@]([H])(O)[C@]1([H])O	InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
HMDB41933	mitragynine	[H]\C(OC)=C(/C(=O)OC)[C@@]1([H])C[C@]2([H])N(CCC3=C2NC2=C3C(OC)=CC=C2)C[C@@]1([H])CC	InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
HMDB41932	methylephedrine	CC(C(O)C1=CC=CC=C1)N(C)C	InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
HMDB41931	3,4-Methylenedioxyamphetamine	CC(N)CC1=CC2=C(OCO2)C=C1	InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
HMDB41930	methoxyphenamine	CNC(C)CC1=CC=CC=C1OC	InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
HMDB09942	PIP(16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h14,16-18,35,38-43,46-49H,3-13,15,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b16-14-,18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09943	PIP(16:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C41H76O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h7,9,13,15,33,36-41,44-47H,3-6,8,10-12,14,16-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b9-7-,15-13-/t33-,36?,37?,38?,39?,40-,41+/m1/s1
HMDB09940	PIP(16:1(9Z)/18:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C41H78O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h13,15,33,36-41,44-47H,3-12,14,16-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b15-13-/t33-,36?,37?,38?,39?,40-,41+/m1/s1
HMDB09941	PIP(16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h13-16,35,38-43,46-49H,3-12,17-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b15-13-,16-14-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09946	PIP(18:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H84O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h35,38-43,46-49H,3-34H2,1-2H3,(H,53,54)(H2,50,51,52)/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09947	PIP(18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h14,16,35,38-43,46-49H,3-13,15,17-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b16-14-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09944	PIP(16:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h8,10,14,16,35,38-43,46-49H,3-7,9,11-13,15,17-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b10-8-,16-14-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09945	PIP(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h8,10-11,13-14,16-18,20-21,39,42-47,50-53H,3-7,9,12,15,19,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09948	PIP(18:0/16:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC	InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h8,10,14,16,35,38-43,46-49H,3-7,9,11-13,15,17-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b10-8-,16-14-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09949	PIP(18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h14,16,37,40-45,48-51H,3-13,15,17-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b16-14-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB36752	Yucalexin P17	CC1(C)C(O)C(=O)CC2(C)C3CC(O)C(C)(C=C)C=C3CCC12	InChI=1S/C20H30O3/c1-6-19(4)10-12-7-8-15-18(2,3)17(23)14(21)11-20(15,5)13(12)9-16(19)22/h6,10,13,15-17,22-23H,1,7-9,11H2,2-5H3
HMDB58240	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,37,39-41,48,52,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,35-36,38,42-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,52-48-/t79?,80-,81-/m1/s1
HMDB36757	Bryonolic acid	CC1(C)C(O)CCC2(C)C1CCC1=C2CCC2(C)C3CC(C)(CCC3(C)CCC12C)C(O)=O	InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)
HMDB13688	Nootkatol	C[C@@H]1C[C@H](O)C=C2CC[C@H](C[C@@]12C)C(C)=C	InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3/t11-,12-,14+,15+/m1/s1
HMDB13689	Peonidin-3-glucoside	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2	InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
HMDB13687	Nookatone	CC1CC(=O)C=C2CCC(CC12C)C(C)=C	InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3
HMDB33988	Genistin	OCC1OC(OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2
HMDB13682	Coniferin	COC1=CC(\C=C\CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
HMDB13680	Caftaric acid	O[C@H]([C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1
HMDB34674	2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid; (R)-form, 5-O-b-D-Glucopyranoside	OCC1OC(OC2=CC3=C(NC(=O)C3(O)CC(O)=O)C=C2)C(O)C(O)C1O	InChI=1S/C16H19NO10/c18-5-9-11(21)12(22)13(23)14(27-9)26-6-1-2-8-7(3-6)16(25,4-10(19)20)15(24)17-8/h1-3,9,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)
HMDB34675	2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid; (R)-form, 5-O-[b-D-Glucopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	OCC1OC(OC2C(O)C(O)C(OC3=CC4=C(NC(=O)C4(O)CC(O)=O)C=C3)OC2CO)C(O)C(O)C1O	InChI=1S/C22H29NO15/c24-5-10-13(28)14(29)16(31)20(36-10)38-18-11(6-25)37-19(17(32)15(18)30)35-7-1-2-9-8(3-7)22(34,4-12(26)27)21(33)23-9/h1-3,10-11,13-20,24-25,28-32,34H,4-6H2,(H,23,33)(H,26,27)
HMDB34676	Cinncassiol D1	CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2CCC(C)(O)C42)C13C	InChI=1S/C20H32O5/c1-10(8-21)12-7-13-16(2)9-19(23)18(12,4)20(13,24)15(25-19)14-11(16)5-6-17(14,3)22/h10-15,21-24H,5-9H2,1-4H3
HMDB34677	Cinncassiol D1 glucoside	CC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(O)C4OC(O)(CC2(C)C2CCC(C)(O)C42)C13C	InChI=1S/C26H42O10/c1-11(9-34-21-19(30)18(29)17(28)14(8-27)35-21)13-7-15-22(2)10-25(32)24(13,4)26(15,33)20(36-25)16-12(22)5-6-23(16,3)31/h11-21,27-33H,5-10H2,1-4H3
HMDB34670	6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one	CC(C)=CC(=O)CC(C)(O)C=C	InChI=1S/C10H16O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,12H,1,7H2,2-4H3
HMDB34671	(E)-5,8-Megastigmadien-4-one	C\C=C/CC1=C(C)C(=O)CCC1(C)C	InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5-
HMDB34672	(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol	CC1OC2(C)C=CCC(C)(C)C2=CC1O	InChI=1S/C13H20O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-10,14H,6H2,1-4H3
HMDB34673	Calamendiol	CC(C)C1CCC(C)(O)C2CCC(=C)CC12O	InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3
HMDB15219	Primaquine	COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1	InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
HMDB34678	Cinncassiol D2	CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C	InChI=1S/C20H32O6/c1-10(8-21)11-7-12-15(2)9-19(24)17(11,4)20(12,25)14(26-19)13-16(3,22)5-6-18(13,15)23/h10-14,21-25H,5-9H2,1-4H3
HMDB34679	Cinncassiol D2 glucoside	CC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C	InChI=1S/C26H42O11/c1-11(9-35-20-17(30)16(29)15(28)13(8-27)36-20)12-7-14-21(2)10-25(33)23(12,4)26(14,34)19(37-25)18-22(3,31)5-6-24(18,21)32/h11-20,27-34H,5-10H2,1-4H3
HMDB32858	Aquifoliunine EI	CC1C(C)C(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(OC(=O)C4=CC=CC=C4)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=CC=CN=C13)C2(C)O	InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(56-23(4)46)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(60-38(51)27-14-11-10-12-15-27)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3
HMDB32859	Aquifoliunine EII	CC1C(C)C(=O)OC2C(O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(O)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=CC=CN=C13)C2(C)O	InChI=1S/C34H43NO16/c1-14-15(2)29(42)50-26-24(41)28(49-19(6)39)33(13-45-16(3)36)27(48-18(5)38)23(40)21-25(47-17(4)37)34(33,32(26,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,23-28,40-41,44H,12-13H2,1-8H3
HMDB39808	Pipertipine	O=C(CCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1	InChI=1S/C20H27NO3/c22-20(21-13-7-4-8-14-21)10-6-3-1-2-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5+
HMDB39809	Theadibenzotropolone A	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C(=O)OC1CC2=C(OC1C1=CC3=C(C(O)=C(O)C=C3C3OC4=C(CC3O)C(O)=CC(O)=C4)C(=O)C(O)=C1)C=C(O)C=C2O	InChI=1S/C50H38O21/c51-18-5-28(54)25-13-35(61)48(69-37(25)8-18)23-11-33(59)45(65)41-21(23)1-16(3-31(57)43(41)63)47-40(15-27-30(56)7-20(53)10-39(27)68-47)71-50(67)17-2-22-24(12-34(60)46(66)42(22)44(64)32(58)4-17)49-36(62)14-26-29(55)6-19(52)9-38(26)70-49/h1-12,35-36,40,47-49,51-56,59-62,65-66H,13-15H2,(H,57,63)(H,58,64)
HMDB39804	3-Hexylpyridine	CCCCCCC1=CC=CN=C1	InChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3
HMDB39805	4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone	CC(O)CCC1C(C)CC(=O)CC1(C)C	InChI=1S/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9-10,12,14H,5-8H2,1-4H3
HMDB39806	1-Hexanethiol	CCCCCCS	InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
HMDB39807	cis-2,3-Dimethylthiirane	C[C@H]1S[C@H]1C	InChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+
HMDB39800	5-Methyl-2-furanmethanethiol	CC1=CC=C(CS)O1	InChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3
HMDB39801	1-(2-Furanyl)-1-pentanone	CCCCC(=O)C1=CC=CO1	InChI=1S/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3
HMDB39802	1-(2-Furanyl)-1-butanone	CCCC(=O)C1=CC=CO1	InChI=1S/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
HMDB39803	4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone	CC1=CC2=CC(=O)CCC2CC1	InChI=1S/C11H14O/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h6-7,9H,2-5H2,1H3
HMDB31390	Annotemoyin 1	CCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H64O5/c1-3-4-5-6-7-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-11-9-8-10-12-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3
HMDB31391	Mucocin	CCCCCCCCCCC1OC(CCC1O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-34-33(41)22-24-36(45-34)32(40)21-20-31(39)35-23-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
HMDB31392	Squamostatin E	CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCCCC2=CC(C)OC2=O)O1	InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(38)35-25-26-36(44-35)33(40)23-22-32(39)34-24-21-30(43-34)19-16-13-10-8-9-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB34141	12alpha-Hydroxyerosone	COC1=C(OC)C=C2C(OCC3OC4=CC5=C(C=CO5)C=C4C(=O)C23O)=C1	InChI=1S/C20H16O7/c1-23-16-6-12-15(8-17(16)24-2)26-9-18-20(12,22)19(21)11-5-10-3-4-25-13(10)7-14(11)27-18/h3-8,18,22H,9H2,1-2H3
HMDB28877	Hydroxyprolyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C10H17N3O5/c11-6(1-2-8(12)15)9(16)13-4-5(14)3-7(13)10(17)18/h5-7,14H,1-4,11H2,(H2,12,15)(H,17,18)
HMDB31395	Muricatetrocin C	CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-13-11-12-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB28875	Hydroxyprolyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C14H18N2O5/c15-11(5-8-1-3-9(17)4-2-8)13(19)16-7-10(18)6-12(16)14(20)21/h1-4,10-12,17-18H,5-7,15H2,(H,20,21)
HMDB31397	Bullatin	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB34148	2-Tridecanone	CCCCCCCCCCCC(C)=O	InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
HMDB37327	8,10-Nonacosanedione	CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC	InChI=1S/C29H56O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-29(31)27-28(30)25-23-21-8-6-4-2/h3-27H2,1-2H3
HMDB37326	Traumatin	OC(=O)CCCCCCCC\C=C\C=O	InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)/b9-7+
HMDB37325	Achimilic acid	CC(=O)CCC(\C=C1/C(=O)C=CC1(C)O)C(=C)C(O)=O	InChI=1S/C15H18O5/c1-9(16)4-5-11(10(2)14(18)19)8-12-13(17)6-7-15(12,3)20/h6-8,11,20H,2,4-5H2,1,3H3,(H,18,19)/b12-8+
HMDB28878	Histidinyl-Alanine	CC(N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
HMDB37323	2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione	OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1C1=C2OC=CC(=O)C2=C(O)C=C1O	InChI=1S/C24H16O9/c25-11-3-1-10(2-4-11)23-21(22(31)19-14(28)7-12(26)8-17(19)33-23)20-16(30)9-15(29)18-13(27)5-6-32-24(18)20/h1-9,21,23,25-26,28-30H
HMDB37322	Dihydrooroxylin	COC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=CC=C1	InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3
HMDB37321	Oleacein	[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])(C(\C([H])=O)=C(/[H])C([H])([H])[H])C([H])([H])C([H])=O	InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2+
HMDB37320	Licochalcone B	COC1=C(O)C(O)=CC=C1\C=C\C(=O)C1=CC=C(O)C=C1	InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+
HMDB45133	TG(18:0/20:2n6/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,20,22-23,25,55H,4-12,14-15,17-19,21,24,26-54H2,1-3H3/b16-13-,23-20-,25-22-
HMDB45132	TG(18:0/20:2n6/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-25,53H,4-12,14-15,17-20,23,26-52H2,1-3H3/b16-13-,24-21-,25-22-
HMDB45131	TG(18:0/20:2n6/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,51H,4-12,14,17,19-21,23,25-50H2,1-3H3/b16-13-,18-15-,24-22-
HMDB45130	TG(18:0/20:2n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,61H,4-13,15-16,18-22,24-25,27-60H2,1-3H3/b17-14-,26-23-
HMDB45137	TG(18:0/20:2n6/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,59H,4-13,15-16,18-22,24,27,29-58H2,1-3H3/b17-14-,26-23-,28-25-
HMDB45136	TG(18:0/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,33,35,41,44,57H,4-13,15-16,18-22,24,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,26-23-,28-25-,35-33-,44-41-
HMDB37329	Ethyl 2-decenoate	CCCCCCC\C=C\C(=O)OCC	InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+
HMDB37328	12,14-Nonacosanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC	InChI=1S/C29H56O2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-29(31)27-28(30)25-23-21-19-17-12-10-8-6-4-2/h3-27H2,1-2H3
HMDB29719	Methyl thiophene-2-carboxylate	COC(=O)C1=CC=CS1	InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
HMDB29718	Thiophene	S1C=CC=C1	InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
HMDB29715	2-(2-Thienyl)furan	O1C=CC=C1C1=CC=CS1	InChI=1S/C8H6OS/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
HMDB29714	4,5-Dihydro-1-benzoxepin-3(2H)-one	O=C1CCC2=CC=CC=C2OC1	InChI=1S/C10H10O2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-4H,5-7H2
HMDB29717	2-Thiophenecarboxaldehyde	O=CC1=CC=CS1	InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
HMDB29716	Liquid thiophthene	S1C=CC2=C1SC=C2	InChI=1S/C6H4S2/c1-3-7-6-5(1)2-4-8-6/h1-4H
HMDB29711	Maritimetin	OC1=CC=C(\C=C2/OC3=C(O)C(O)=CC=C3C2=O)C=C1O	InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/h1-6,16-18,20H/b12-6-
HMDB29710	DIMBOA-Glc	COC1=CC=C2N(O)C(=O)C(OC3OC(CO)C(O)C(O)C3O)OC2=C1	InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3
HMDB29713	Thiazole	S1C=CN=C1	InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
HMDB29712	Thiabendazole	N1C2=C(C=CC=C2)N=C1C1=CN=CS1	InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-11-6-14-9/h1-6H,(H,12,13)
HMDB12089	SM(d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,39-40,44H,6-19,22-38H2,1-5H3,(H-,42,45,46,47)/b21-20-/t39-,40+/m0/s1
HMDB12088	SM(d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,39-40,44H,6-15,17,19-38H2,1-5H3,(H-,42,45,46,47)/b18-16-/t39-,40+/m0/s1
HMDB12081	Ganglioside GT3 (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H156N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(107)93-56(57(102)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-121-82-75(113)74(112)77(65(51-98)123-82)124-83-76(114)81(71(109)62(48-95)122-83)130-89(86(119)120)46-60(105)69(92-55(5)101)80(129-89)73(111)64(50-97)126-88(85(117)118)45-59(104)68(91-54(4)100)79(128-88)72(110)63(49-96)125-87(84(115)116)44-58(103)67(90-53(3)99)78(127-87)70(108)61(106)47-94/h20-21,40,42,56-65,67-83,94-98,102-106,108-114H,6-19,22-39,41,43-52H2,1-5H3,(H,90,99)(H,91,100)(H,92,101)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/b21-20-,42-40+/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81-,82+,83-,87+,88+,89-/m0/s1
HMDB12080	Ganglioside GT3 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C89H158N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(107)93-56(57(102)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-121-82-75(113)74(112)77(65(51-98)123-82)124-83-76(114)81(71(109)62(48-95)122-83)130-89(86(119)120)46-60(105)69(92-55(5)101)80(129-89)73(111)64(50-97)126-88(85(117)118)45-59(104)68(91-54(4)100)79(128-88)72(110)63(49-96)125-87(84(115)116)44-58(103)67(90-53(3)99)78(127-87)70(108)61(106)47-94/h40,42,56-65,67-83,94-98,102-106,108-114H,6-39,41,43-52H2,1-5H3,(H,90,99)(H,91,100)(H,92,101)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/b42-40+/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81-,82+,83-,87+,88+,89-/m0/s1
HMDB42358	TG(14:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,32,35,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-31,33-34,36-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,35-32-
HMDB42359	TG(14:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,32,35,41,44,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,35-32-,44-41-
HMDB42352	TG(14:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,32,35,54H,4-15,17-18,21-22,25,27,30-31,33-34,36-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,35-32-
HMDB42353	TG(14:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,32,35,41,44,54H,4-15,17-18,21-22,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,35-32-,44-41-
HMDB42350	TG(14:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29-30,36,39,52H,4-15,17-18,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,39-36-
HMDB42351	TG(14:0/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,54H,4-15,17-18,21-22,25,27-53H2,1-3H3/b19-16-,23-20-,26-24-
HMDB42356	TG(14:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29-30,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,31-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-
HMDB42357	TG(14:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29-30,36,39,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-,39-36-
HMDB42354	TG(14:0/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,50H,4-6,8-9,11-15,17-18,21-22,25,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-
HMDB42355	TG(14:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,31,34,50H,4-6,8-9,11-15,17-18,21-22,25,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,34-31-
HMDB46448	TG(22:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,36,39,44,47,58H,4-14,17,20-23,25,27-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,39-36-,47-44-
HMDB46449	TG(22:0/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-
HMDB57195	CL(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35-37,39-40,42-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,38,41,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB46442	TG(22:0/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,35,37,54H,4-14,16,19,21-24,26-29,31-34,36,38-53H2,1-3H3/b18-15-,20-17-,30-25-,37-35-
HMDB46443	TG(22:0/14:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,55H,4-13,16,19-22,24,26-54H2,1-3H3/b17-14-,18-15-,25-23-
HMDB46440	TG(22:0/14:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,60H,4-14,16-17,19-23,25,27-59H2,1-3H3/b18-15-,26-24-
HMDB46441	TG(22:0/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,31,55H,4-14,16-17,19,21-22,24-26,28-30,32-54H2,1-3H3/b18-15-,23-20-,31-27-
HMDB46446	TG(22:0/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,58H,4-14,17,20-23,25,27-57H2,1-3H3/b18-15-,19-16-,26-24-
HMDB46447	TG(22:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,36,39,58H,4-14,17,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,39-36-
HMDB46444	TG(22:0/14:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,56H,4-14,16,19,21-24,26,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,27-25-,34-32-
HMDB46445	TG(22:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,39,42,56H,4-14,16,19,21-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,42-39-
HMDB58452	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,37,39-41,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35-36,38,42-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,50-46-/t79?,80-,81-/m1/s1
HMDB58052	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,38-39,74-76,81H,5-24,27-28,31-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB13308	Stearoylglycine	CCCCCCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)
HMDB58053	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37,39,41,76-78,83H,5-24,27-28,31-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB13303	Pristanoylglycine	CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(O)=O	InChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24)
HMDB13302	Phenylalanylphenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)
HMDB13300	Pentadecanoylglycine	CCCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18-15-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)
HMDB58050	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-37,39-40,42-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,38,41,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB13305	Propionylcholine	CCC(=O)OCC[N+](C)(C)C	InChI=1S/C8H18NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
HMDB58051	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-37,39-40,42-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,38,41,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB10643	PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,43-44,47-48H,3-4,6,8-10,12,14-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB10642	PG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,43-44,47-48H,3-10,12,14-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10641	PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,43-44,47-48H,3-10,12,14-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB10640	PG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,41-42,45-46H,3-10,12,14-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB10647	PG(18:2(9Z,12Z)/18:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,39-40,43-44H,3-10,12,14-16,18,20-38H2,1-2H3,(H,47,48)/b13-11-,19-17-/t39-,40+/m0/s1
HMDB10646	PG(18:2(9Z,12Z)/16:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41-42H,3-10,12,15,19-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t37-,38+/m0/s1
HMDB10645	PG(18:2(9Z,12Z)/16:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11-,18-17-/t37-,38+/m0/s1
HMDB10644	PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10649	PG(18:2(9Z,12Z)/18:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,39-40,43-44H,3-10,12,14-16,21-38H2,1-2H3,(H,47,48)/b13-11-,19-17-,20-18-/t39-,40+/m0/s1
HMDB10648	PG(18:2(9Z,12Z)/18:1(11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39-40,43-44H,3-10,12,15,18,20-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-/t39-,40+/m0/s1
HMDB56405	CL(16:0/16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB46873	TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,39,42,44,47-48,51,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB46872	TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,39,42,44,47,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-
HMDB46871	TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,36,44,47,62H,4-8,10-11,13-15,17,20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,36-27-,47-44-
HMDB46870	TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,37,42-43,45-46,60H,4-8,10-11,13-16,19,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB46877	TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,37,42-43,45-46,60H,4-7,10,13-16,19,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB46876	TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,37,42,45,60H,4-7,10,13-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-
HMDB46875	TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,32-33,38,40-41,43,58H,4-7,10,13-16,19,22-25,28-31,34-37,39,42,44-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-,41-38-,43-40-
HMDB46874	TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,32-33,40,43,58H,4-7,10,13-16,19,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-,43-40-
HMDB50964	TG(20:3(5Z,8Z,11Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,36,39,45,48,61H,4-14,16-17,19-23,25,28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b18-15-,27-24-,29-26-,39-36-,48-45-
HMDB47005	TG(24:0/14:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB50965	TG(20:3(5Z,8Z,11Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36-37,39-40,46,49,62H,4-16,18-19,21-25,28,31-35,38,41-45,47-48,50-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB47004	TG(22:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40,43,49,52,63H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-,52-49-
HMDB10324	Benzoyl glucuronide (Benzoic acid)	O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O	InChI=1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1
HMDB50968	TG(20:3(5Z,8Z,11Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB10325	Ethyl glucuronide	CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1
HMDB50969	TG(20:3(5Z,8Z,11Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB10328	Tyramine glucuronide	NCCC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1	InChI=1S/C14H19NO7/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14,16-18H,5-6,15H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
HMDB10329	Dopamine glucuronide	NCCC1=CC(O)=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1	InChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
HMDB44268	TG(16:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,35,38,57H,4-15,17-18,21-22,24,26,29,33-34,36-37,39-56H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,38-35-
HMDB44269	TG(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,35,38,44,47,57H,4-15,17-18,21-22,24,26,29,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,38-35-,47-44-
HMDB52407	TG(18:2(9Z,12Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-30,32,37,40,53H,4-6,8-9,11-15,17-18,21-22,25,28,31,33-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-27-,32-30-,40-37-
HMDB14940	Alfentanil	CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O	InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
HMDB14941	Colistin	[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC(C)CC)[C@@H](C)O)[C@@H](C)O	InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1
HMDB14942	Dicyclomine	CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1	InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
HMDB14943	Minaprine	CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1	InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
HMDB14944	Pentoxifylline	CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C	InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
HMDB14945	Proparacaine	CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC	InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
HMDB14946	Indapamide	CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O	InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
HMDB14947	Tropicamide	CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1	InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
HMDB14948	Biperiden	OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1	InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2
HMDB14949	Ribavirin	NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
HMDB00424	2-Hydroxydecanedioic acid	OC(CCCCCCCC(O)=O)C(O)=O	InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
HMDB00425	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CC(=O)C(O)=O	InChI=1S/C9H16O9/c10-2-5(13)7(15)8(16)6(14)3(11)1-4(12)9(17)18/h3,5-8,10-11,13-16H,1-2H2,(H,17,18)/t3-,5-,6+,7+,8+/m0/s1
HMDB00422	2-Methylglutaric acid	CC(CCC(O)=O)C(O)=O	InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
HMDB00423	3,4-Dihydroxyhydrocinnamic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
HMDB00421	2,3-Dihydroxyvaleric acid	CCC(O)C(O)C(O)=O	InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9)
HMDB59275	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-9,12-13,16-20,24,29-31,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB02873	Deacetyldiltiazem	COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1O	InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3/t18-,19+/m1/s1
HMDB02871	Phytofluene	CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30-
HMDB00394	3-Hydroxytetradecanedioic acid	OC(CCCCCCCCCCC(O)=O)CC(O)=O	InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19)
HMDB00395	3b,7b,12a-Trihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1
HMDB00396	2-Ethylhydracrylic acid	CCC(CO)C(O)=O	InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
HMDB00397	2-Pyrocatechuic acid	OC(=O)C1=CC=CC(O)=C1O	InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
HMDB11279	PC(P-18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,36,39,43H,6-8,10,12-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,39-36-
HMDB11278	PC(P-18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,27,29,36,39,43H,6-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,29-27-,39-36-
HMDB00392	2-Octenoic acid	CCCCC\C=C/C(O)=O	InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-
HMDB00393	3-Hexenedioic acid	OC(=O)C\C=C\CC(O)=O	InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+
HMDB11275	PC(P-18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,36,39,43H,6-15,20-35,37-38,40-42H2,1-5H3/b18-16-,19-17-,39-36-/t43-/m1/s1
HMDB11274	PC(P-18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,36,39,43H,6-15,17,19-35,37-38,40-42H2,1-5H3/b18-16-,39-36-/t43-/m1/s1
HMDB11277	PC(P-18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,36,39,43H,6-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,39-36-/t43-/m1/s1
HMDB11276	PC(P-18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,21,23,36,39,43H,6-15,17,19-20,22,24-35,37-38,40-42H2,1-5H3/b18-16-,23-21-,39-36-/t43-/m1/s1
HMDB11271	PC(P-18:1(11Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h16,18,33,36,40H,6-15,17,19-32,34-35,37-39H2,1-5H3/b18-16-,36-33-/t40-/m1/s1
HMDB11270	PC(P-18:1(11Z)/14:1(9Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15-16,18,32,35,39H,6-12,14,17,19-31,33-34,36-38H2,1-5H3/b15-13-,18-16-,35-32-/t39-/m1/s1
HMDB11273	PC(P-18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16-19,34,37,41H,6-15,20-33,35-36,38-40H2,1-5H3/b18-16-,19-17-,37-34-/t41-/m1/s1
HMDB11272	PC(P-18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34-
HMDB42491	TG(14:0/24:1(15Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h24-26,32,56H,4-23,27-31,33-55H2,1-3H3/b26-24-,32-25-
HMDB42490	TG(14:0/24:1(15Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h20,23-24,26,56H,4-19,21-22,25,27-55H2,1-3H3/b23-20-,26-24-
HMDB58589	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB42496	TG(14:0/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,33,57H,4-19,21-22,25,28-32,34-56H2,1-3H3/b23-20-,26-24-,33-27-
HMDB48871	TG(16:1(9Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33,36,42,45,58H,4-7,9-10,12-15,18,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,45-42-
HMDB05060	Eicosadienoic acid	CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O	InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
HMDB48873	TG(16:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,18,22-23,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,41-38-,50-47-
HMDB48872	TG(16:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31,33,38,41,60H,4-6,8-9,11-15,18,22-23,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,41-38-
HMDB05065	Oleoylcarnitine	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-/t23-/m0/s1
HMDB48874	TG(16:1(9Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,57H,4-15,17-18,20,22-23,26,28-56H2,1-3H3/b19-16-,24-21-,27-25-
HMDB48877	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,38,56H,4-15,17-18,20,22-23,28,32-34,36-37,39-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,38-35-
HMDB05066	Tetradecanoylcarnitine	CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1
HMDB48879	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32-33,36-37,40,42,45,58H,4-15,17-18,20,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB48878	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,37,40,58H,4-15,17-18,20,22-23,29,31,33-36,38-39,41-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,40-37-
HMDB11899	Ganglioside GM2 (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H122N2O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(80)70-45(46(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-89-65-58(85)57(84)60(50(39-73)91-65)93-66-59(86)63(61(51(40-74)92-66)94-64-44(35-42(3)75)54(81)56(83)49(38-72)90-64)96-68(67(87)88)36-47(78)53(69-43(4)76)62(95-68)55(82)48(79)37-71/h19-20,44-51,53-66,71-74,77-79,81-86H,5-18,21-41H2,1-4H3,(H,69,76)(H,70,80)(H,87,88)/b20-19-/t44-,45+,46-,47+,48-,49-,50-,51-,53-,54-,55-,56+,57-,58-,59-,60-,61+,62?,63-,64+,65-,66+,68+/m1/s1
HMDB11898	Ganglioside GM2 (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C68H122N2O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(80)70-45(46(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-89-65-58(85)57(84)60(50(39-73)91-65)93-66-59(86)63(61(51(40-74)92-66)94-64-44(35-42(3)75)54(81)56(83)49(38-72)90-64)96-68(67(87)88)36-47(78)53(69-43(4)76)62(95-68)55(82)48(79)37-71/h15,17,44-51,53-66,71-74,77-79,81-86H,5-14,16,18-41H2,1-4H3,(H,69,76)(H,70,80)(H,87,88)/b17-15-/t44-,45+,46-,47+,48-,49-,50-,51-,53-,54-,55-,56+,57-,58-,59-,60-,61+,62?,63-,64+,65-,66+,68+/m1/s1
HMDB58583	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-45,47-48,50-52,54,59-60,63-64,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,46,49,53,55-58,61-62,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,51-47-,52-48-,54-50-,63-59-,64-60-/t83?,84-,85-/m1/s1
HMDB11891	Ganglioside GM1 (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C74H130N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h15,17,31,33,45-53,55-72,77-81,84-86,88-95H,5-14,16,18-30,32,34-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/b17-15-,33-31+/t45-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1
HMDB11890	Ganglioside GM1 (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C70H124N2O31/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-43(80)42(72-50(83)30-28-26-24-22-19-16-14-12-10-8-6-2)38-94-66-58(90)56(88)61(48(36-76)97-66)100-68-59(91)64(103-70(69(92)93)32-44(81)51(71-40(4)79)63(102-70)52(84)45(82)33-73)62(49(37-77)98-68)101-65-41(31-39(3)78)60(54(86)47(35-75)95-65)99-67-57(89)55(87)53(85)46(34-74)96-67/h27,29,41-49,51-68,73-77,80-82,84-91H,5-26,28,30-38H2,1-4H3,(H,71,79)(H,72,83)(H,92,93)/b29-27+/t41-,42+,43-,44+,45-,46-,47-,48-,49-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62+,63?,64-,65+,66-,67+,68+,70+/m1/s1
HMDB11893	Ganglioside GM1 (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C79H142N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-59(92)81-51(52(89)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)47-103-75-67(99)65(97)70(57(45-85)106-75)109-77-68(100)73(112-79(78(101)102)41-53(90)60(80-49(4)88)72(111-79)61(93)54(91)42-82)71(58(46-86)107-77)110-74-50(40-48(3)87)69(63(95)56(44-84)104-74)108-76-66(98)64(96)62(94)55(43-83)105-76/h36,38,50-58,60-77,82-86,89-91,93-100H,5-35,37,39-47H2,1-4H3,(H,80,88)(H,81,92)(H,101,102)/b38-36+/t50-,51+,52-,53+,54-,55-,56-,57-,58-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71+,72?,73-,74+,75-,76+,77+,79+/m1/s1
HMDB11892	Ganglioside GM1 (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C78H138N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(91)80-50(51(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)46-102-74-66(98)64(96)69(56(44-84)105-74)108-76-67(99)72(111-78(77(100)101)40-52(89)59(79-48(4)87)71(110-78)60(92)53(90)41-81)70(57(45-85)106-76)109-73-49(39-47(3)86)68(62(94)55(43-83)103-73)107-75-65(97)63(95)61(93)54(42-82)104-75/h19-20,35,37,49-57,59-76,81-85,88-90,92-99H,5-18,21-34,36,38-46H2,1-4H3,(H,79,87)(H,80,91)(H,100,101)/b20-19-,37-35+/t49-,50+,51-,52+,53-,54-,55-,56-,57-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71?,72-,73+,74-,75+,76+,78+/m1/s1
HMDB11895	Ganglioside GM2 (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C64H116N2O26/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-42(73)41(66-48(76)30-28-26-24-22-19-16-14-12-10-8-6-2)37-85-61-54(81)53(80)56(46(35-69)87-61)89-62-55(82)59(57(47(36-70)88-62)90-60-40(31-38(3)71)50(77)52(79)45(34-68)86-60)92-64(63(83)84)32-43(74)49(65-39(4)72)58(91-64)51(78)44(75)33-67/h40-47,49-62,67-70,73-75,77-82H,5-37H2,1-4H3,(H,65,72)(H,66,76)(H,83,84)/t40-,41+,42-,43+,44-,45-,46-,47-,49-,50-,51-,52+,53-,54-,55-,56-,57+,58?,59-,60+,61-,62+,64+/m1/s1
HMDB11894	Ganglioside GM2 (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C62H112N2O26/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-40(71)39(64-46(74)28-26-24-22-19-14-12-10-8-6-2)35-83-59-52(79)51(78)54(44(33-67)85-59)87-60-53(80)57(55(45(34-68)86-60)88-58-38(29-36(3)69)48(75)50(77)43(32-66)84-58)90-62(61(81)82)30-41(72)47(63-37(4)70)56(89-62)49(76)42(73)31-65/h38-45,47-60,65-68,71-73,75-80H,5-35H2,1-4H3,(H,63,70)(H,64,74)(H,81,82)/t38-,39+,40-,41+,42-,43-,44-,45-,47-,48-,49-,50+,51-,52-,53-,54-,55+,56?,57-,58+,59-,60+,62+/m1/s1
HMDB11897	Ganglioside GM2 (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C68H124N2O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(80)70-45(46(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-89-65-58(85)57(84)60(50(39-73)91-65)93-66-59(86)63(61(51(40-74)92-66)94-64-44(35-42(3)75)54(81)56(83)49(38-72)90-64)96-68(67(87)88)36-47(78)53(69-43(4)76)62(95-68)55(82)48(79)37-71/h44-51,53-66,71-74,77-79,81-86H,5-41H2,1-4H3,(H,69,76)(H,70,80)(H,87,88)/t44-,45+,46-,47+,48-,49-,50-,51-,53-,54-,55-,56+,57-,58-,59-,60-,61+,62?,63-,64+,65-,66+,68+/m1/s1
HMDB11896	Ganglioside GM2 (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C66H120N2O26/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44(75)43(68-50(78)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-87-63-56(83)55(82)58(48(37-71)89-63)91-64-57(84)61(59(49(38-72)90-64)92-62-42(33-40(3)73)52(79)54(81)47(36-70)88-62)94-66(65(85)86)34-45(76)51(67-41(4)74)60(93-66)53(80)46(77)35-69/h42-49,51-64,69-72,75-77,79-84H,5-39H2,1-4H3,(H,67,74)(H,68,78)(H,85,86)/t42-,43+,44-,45+,46-,47-,48-,49-,51-,52-,53-,54+,55-,56-,57-,58-,59+,60?,61-,62+,63-,64+,66+/m1/s1
HMDB53349	TG(20:2n6/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,35,41,44,61H,4-8,10-11,13,15-16,19-20,22,24-25,28-34,36-40,42-43,45-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,35-27-,44-41-
HMDB53348	TG(20:2n6/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,35,61H,4-8,10-11,13,15-16,19-20,22,24-25,28-34,36-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,35-27-
HMDB53343	TG(20:2n6/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,38,41,63H,4-14,16,19,21-23,25,28,30-37,39-40,42-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,41-38-
HMDB53342	TG(20:2n6/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,23-24,26-27,62H,4-13,16,19-22,25,28-61H2,1-3H3/b17-14-,18-15-,26-23-,27-24-
HMDB53341	TG(20:2n6/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,60H,4-13,15-16,18-22,24-25,27-59H2,1-3H3/b17-14-,26-23-
HMDB53340	TG(20:2n6/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,33,35,41,44,50,53,63H,4-6,8-9,11-14,17,20-23,26,29-32,34,36-40,42-43,45-49,51-52,54-62H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,35-33-,44-41-,53-50-
HMDB53347	TG(20:2n6/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,35,37,43,46,52,55,65H,4-14,16,19,21-23,25,28,30-34,36,38-42,44-45,47-51,53-54,56-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,37-35-,46-43-,55-52-
HMDB53346	TG(20:2n6/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,35,37,43,46,65H,4-14,16,19,21-23,25,28,30-34,36,38-42,44-45,47-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,37-35-,46-43-
HMDB53345	TG(20:2n6/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,65H,4-14,16,19,21-23,25,28,30-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-
HMDB53344	TG(20:2n6/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,38,41,47,50,63H,4-14,16,19,21-23,25,28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,41-38-,50-47-
HMDB53916	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-
HMDB37855	4-Butyl-2-methyloxazole	CCCCC1=COC(C)=N1	InChI=1S/C8H13NO/c1-3-4-5-8-6-10-7(2)9-8/h6H,3-5H2,1-2H3
HMDB50928	TG(20:3(5Z,8Z,11Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,33,35,41,44,57H,4-13,15-16,18-22,24,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,26-23-,28-25-,35-33-,44-41-
HMDB50929	TG(20:3(5Z,8Z,11Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-36,42,45,58H,4-15,17-18,20-24,27,30-32,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,36-34-,45-42-
HMDB50926	TG(20:3(5Z,8Z,11Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32-33,35,41,44,57H,4-19,21-22,24,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b23-20-,28-25-,32-29-,35-33-,44-41-
HMDB50927	TG(20:3(5Z,8Z,11Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,30,32,34,36,39-40,43,56H,4-16,18-19,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b20-17-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB50924	TG(20:3(5Z,8Z,11Z)/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,35,37,43,46,60H,4-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b28-25-,29-26-,37-35-,46-43-
HMDB50925	TG(20:3(5Z,8Z,11Z)/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,37,39,45,48,62H,4-24,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,39-37-,48-45-
HMDB50922	TG(20:3(5Z,8Z,11Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,33,38,41,55H,4-24,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b27-25-,33-30-,41-38-
HMDB50923	TG(20:3(5Z,8Z,11Z)/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33-36,41-42,44-45,58H,4-24,27,30-32,37-40,43,46-57H2,1-3H3/b28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB50920	TG(20:3(5Z,8Z,11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,17-18,20-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB50921	TG(20:3(5Z,8Z,11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,8-9,11-15,17-18,20-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB53915	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-
HMDB41630	Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; (3R,6R)-form	CC1(C)O[C@](C)(CC[C@H]1O)C=C	InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1
HMDB53913	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44-45,48,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-
HMDB53910	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-39,42,60H,4-8,10-11,13-15,22-24,30,32,36-37,40-41,43-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-
HMDB53911	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-40,42-43,60H,4-8,10-11,13-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-
HMDB34986	alpha-Fernenol	CC(C)C1CCC2C1(C)CCC1(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC21C	InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3
HMDB15304	Orphenadrine	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C	InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
HMDB15307	Cyclizine	CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
HMDB59246	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-38,41-42,44-45,48,50-54,60-61,64-65,83-85,90H,5-9,11-13,15-20,24,29-31,39-40,43,46-47,49,55-59,62-63,66-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,65-61-/t83?,84-,85-/m1/s1
HMDB15301	Guanethidine	NC(N)=NCCN1CCCCCCC1	InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)
HMDB15300	Arsenic trioxide	O1[As]2O[As]1O2	InChI=1S/As2O3/c3-1-4-2(3)5-1
HMDB15303	Kanamycin	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
HMDB15302	Moclobemide	ClC1=CC=C(C=C1)C(=O)NCCN1CCOCC1	InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
HMDB37851	Apigenin 7-sulfate	OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OS(O)(=O)=O)C=C2O	InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-7,16-17H,(H,19,20,21)
HMDB06006	Isobutanol	CC(C)CO	InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
HMDB06007	Isopentanol	CC(C)CCO	InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
HMDB49834	TG(18:1(9Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,34-35,60H,4-7,9-10,12-16,18-19,21-25,28-33,36-59H2,1-3H3/b11-8-,20-17-,34-26-,35-27-
HMDB06005	Indolylacryloylglycine	OC(=O)CNC(=O)\C=C\C1=CNC2=CC=CC=C12	InChI=1S/C13H12N2O3/c16-12(15-8-13(17)18)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-7,14H,8H2,(H,15,16)(H,17,18)/b6-5+
HMDB06002	Ethyltestosterone	[H][C@@]12CC[C@@](O)(CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
HMDB49833	TG(18:1(9Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,38,42,45,51,54,64H,4-16,18-19,21-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,29-26-,36-34-,38-27-,45-42-,54-51-
HMDB49830	TG(18:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36-37,40,46,49,62H,4-16,18-19,21-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,29-26-,36-27-,40-37-,49-46-
HMDB06001	3'-Hydroxystanozolol	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C(=O)NN3	InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1
HMDB04893	Ganglioside GA2 (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C60H112N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-48(68)62-43(44(67)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)41-75-59-54(73)52(71)57(46(39-64)77-59)80-60-55(74)53(72)56(47(40-65)78-60)79-58-49(61-42(3)66)51(70)50(69)45(38-63)76-58/h34,36,43-47,49-60,63-65,67,69-74H,4-33,35,37-41H2,1-3H3,(H,61,66)(H,62,68)/b36-34+/t43-,44+,45+,46+,47+,49+,50-,51+,52+,53+,54?,55+,56-,57+,58-,59+,60-/m0/s1
HMDB04892	Ganglioside GA2 (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C58H108N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-46(66)60-41(42(65)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)39-73-57-52(71)50(69)55(44(37-62)75-57)78-58-53(72)51(70)54(45(38-63)76-58)77-56-47(59-40(3)64)49(68)48(67)43(36-61)74-56/h32,34,41-45,47-58,61-63,65,67-72H,4-31,33,35-39H2,1-3H3,(H,59,64)(H,60,66)/b34-32+/t41-,42+,43+,44+,45+,47+,48-,49+,50+,51+,52?,53+,54-,55+,56-,57+,58-/m0/s1
HMDB04891	Ganglioside GA2 (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C56H104N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h30,32,39-43,45-56,59-61,63,65-70H,4-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50?,51+,52-,53+,54-,55+,56-/m0/s1
HMDB04890	Ganglioside GA2 (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C54H100N2O18/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(61)37(56-42(62)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-69-53-48(67)46(65)51(40(33-58)71-53)74-54-49(68)47(66)50(41(34-59)72-54)73-52-43(55-36(3)60)45(64)44(63)39(32-57)70-52/h28,30,37-41,43-54,57-59,61,63-68H,4-27,29,31-35H2,1-3H3,(H,55,60)(H,56,62)/b30-28+/t37-,38+,39+,40+,41+,43+,44-,45+,46+,47+,48?,49+,50-,51+,52-,53+,54-/m0/s1
HMDB04897	Ganglioside GA2 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C62H116N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(70)64-45(46(69)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-77-61-56(75)54(73)59(48(41-66)79-61)82-62-57(76)55(74)58(49(42-67)80-62)81-60-51(63-44(3)68)53(72)52(71)47(40-65)78-60/h36,38,45-49,51-62,65-67,69,71-76H,4-35,37,39-43H2,1-3H3,(H,63,68)(H,64,70)/b38-36+/t45-,46+,47+,48+,49+,51+,52-,53+,54+,55+,56?,57+,58-,59+,60-,61+,62-/m0/s1
HMDB04896	Ganglioside GA2 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C64H120N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-52(72)66-47(48(71)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)45-79-63-58(77)56(75)61(50(43-68)81-63)84-64-59(78)57(76)60(51(44-69)82-64)83-62-53(65-46(3)70)55(74)54(73)49(42-67)80-62/h38,40,47-51,53-64,67-69,71,73-78H,4-37,39,41-45H2,1-3H3,(H,65,70)(H,66,72)/b40-38+/t47-,48+,49+,50+,51+,53+,54-,55+,56+,57+,58?,59+,60-,61+,62-,63+,64-/m0/s1
HMDB04895	Ganglioside GA2 (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-52(72)66-47(48(71)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)45-79-63-58(77)56(75)61(50(43-68)81-63)84-64-59(78)57(76)60(51(44-69)82-64)83-62-53(65-46(3)70)55(74)54(73)49(42-67)80-62/h18-19,38,40,47-51,53-64,67-69,71,73-78H,4-17,20-37,39,41-45H2,1-3H3,(H,65,70)(H,66,72)/b19-18-,40-38+/t47-,48+,49+,50+,51+,53+,54-,55+,56+,57+,58?,59+,60-,61+,62-,63+,64-/m0/s1
HMDB06009	Isoputreanine	NCCCNCCCC(O)=O	InChI=1S/C7H16N2O2/c8-4-2-6-9-5-1-3-7(10)11/h9H,1-6,8H2,(H,10,11)
HMDB58097	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB37850	3,3',4',5,5',7-Hexahydroxyflavone; 3,3'-Di-O-galactoside	OCC1OC(OC2=C(O)C(O)=CC(=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O2)C=C(O)C=C3O)C(O)C(O)C1O	InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2
HMDB41434	Citbismine B	COC1=CC2=C(C(O)=C1C1C(OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(OC)=C(O)C=C3)C(C)(C)O)C(=O)C1=C(N2)C(OC)=C(OC)C=C1	InChI=1S/C36H34N2O11/c1-36(2,44)35-26(24-21(49-35)13-18(40)23-29(24)38(3)28-15(31(23)42)8-10-17(39)33(28)47-6)25-20(46-5)12-16-22(32(25)43)30(41)14-9-11-19(45-4)34(48-7)27(14)37-16/h8-13,26,35,39-40,43-44H,1-7H3,(H,37,41)
HMDB56436	CL(16:0/16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33-35,37-39,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB42987	TG(15:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,38,41,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-,41-38-
HMDB56434	CL(16:0/16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,33-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56435	CL(16:0/16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33-35,37-39,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-/t75?,76-,77-/m1/s1
HMDB56432	CL(16:0/16:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB56433	CL(16:0/16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,33-35,37-38,42,50,54,73-75,80H,5-20,22-24,26-32,36,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB56430	CL(16:0/16:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h26,30,33,35,71-73,78H,5-25,27-29,31-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,35-33-/t71?,72-,73-/m1/s1
HMDB42986	TG(15:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-
HMDB42985	TG(15:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,33,36,49H,4-6,8-9,11-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,36-33-
HMDB56438	CL(16:0/16:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1
HMDB56439	CL(16:0/16:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,28-29,32,34-35,70-72,77H,5-24,26-27,30-31,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,32-28-,35-34-/t70?,71-,72-/m1/s1
HMDB42984	TG(15:0/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,49H,4-6,8-9,11-15,17-18,20-23,26,29-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-
HMDB42983	TG(15:0/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,29,31,47H,4-6,8-9,11-15,17-18,20-23,26-28,30,32-46H2,1-3H3/b10-7-,19-16-,25-24-,31-29-
HMDB42982	TG(15:0/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,47H,4-6,8-9,11-15,17-18,20-23,26-46H2,1-3H3/b10-7-,19-16-,25-24-
HMDB07359	DG(20:0/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
HMDB07358	DG(20:0/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m0/s1
HMDB42981	TG(15:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,38,41,51H,4-15,17-18,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-,41-38-
HMDB07351	DG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,32,34,41,44H,3-5,7,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m0/s1
HMDB07350	DG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,41,44H,3-5,7,9-10,15-16,20,24-25,30-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-/m0/s1
HMDB07353	DG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,32,34,41,44H,3-4,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m0/s1
HMDB07352	DG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,41,44H,3-4,9-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-/m0/s1
HMDB07355	DG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,29,31,43,46H,3-5,7,9-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-,31-29-/t43-/m0/s1
HMDB07354	DG(18:4(6Z,9Z,12Z,15Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,29,31,43,46H,3-5,7,9-11,13,15-17,19-24,26-28,30,32-42H2,1-2H3/b8-6-,14-12-,25-18-,31-29-/t43-/m0/s1
HMDB07357	DG(20:0/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,35,38H,3-9,11,13-34H2,1-2H3/b12-10-/t35-/m0/s1
HMDB07356	DG(20:0/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1
HMDB49567	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,40-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-
HMDB02802	Cortisone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
HMDB12303	UDP-L-arabinose	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1
HMDB55168	TG(18:3(9Z,12Z,15Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,53H,4-7,9-10,12-16,18-19,21-25,27,29-52H2,1-3H3/b11-8-,20-17-,28-26-
HMDB55161	TG(18:3(9Z,12Z,15Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,52H,4-7,9-10,12-16,18-19,21-25,27,29-51H2,1-3H3/b11-8-,20-17-,28-26-
HMDB55160	TG(18:3(9Z,12Z,15Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37,42,45,55H,4-6,9,12-15,18,21-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,45-42-
HMDB55163	TG(18:3(9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32,35,52H,4-6,9,12-15,18,21-24,29-31,33-34,36-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,35-32-
HMDB55165	TG(18:3(9Z,12Z,15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,38,41,54H,4-6,9,12-15,18,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,41-38-
HMDB49878	TG(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,35,37,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-34,36,38-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,37-35-
HMDB55166	TG(18:3(9Z,12Z,15Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37,56H,4-6,9,12-15,18,21-24,28,32-34,36,38-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-
HMDB31804	Methomyl	CNC(=O)O\N=C(/C)SC	InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+
HMDB31805	(E)-Monocrotophos	CNC(=O)\C=C(/C)OP(=O)(OC)OC	InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
HMDB31806	()-Naled	COP(=O)(OC)OC(Br)C(Cl)(Cl)Br	InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
HMDB31807	m-Hydroxydiphenyldimercury(1+)	[OH+]([Hg]C1=CC=CC=C1)[Hg]C1=CC=CC=C1	InChI=1S/2C6H5.2Hg.HO/c2*1-2-4-6-5-3-1;;;/h2*1-5H;;;1H/q;;;;+1
HMDB31800	Mecarbam	CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC	InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3
HMDB31801	()-Mephosfolan	CCOP(=O)(OCC)\N=C1\SCC(C)S1	InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8-
HMDB31802	()-Metalaxyl	COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C	InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
HMDB31803	()-Methamidophos	COP(N)(=O)SC	InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
HMDB50104	TG(18:1(9Z)/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36,62H,4-16,18-19,21-24,30-35,37-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-
HMDB50105	TG(18:1(9Z)/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,38,64H,4-16,18-19,21-24,30-37,39-63H2,1-3H3/b20-17-,28-25-,29-26-,38-27-
HMDB50106	TG(18:1(9Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,33-34,59H,4-15,17-18,21-22,24,26,30-32,35-58H2,1-3H3/b19-16-,23-20-,28-25-,33-27-,34-29-
HMDB50107	TG(18:1(9Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,32-33,38,41,58H,4-15,18,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-,33-27-,41-38-
HMDB31808	Tecnazene	ClC1=CC(Cl)=C(Cl)C(=C1Cl)N(=O)=O	InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
HMDB31809	Tricyclazole	CC1=CC=CC2=C1N1C=NN=C1S2	InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
HMDB41489	5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1-&gt;3)-beta-D-xylopyranosyl-(1-&gt;4)-D-xylopyranoside	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C1O	InChI=1S/C24H32O15/c25-11-4-1-10(2-5-11)3-6-15(27)34-8-13-17(29)19(31)24(38-13)39-21-12(26)7-36-23(20(21)32)37-14-9-35-22(33)18(30)16(14)28/h1-6,12-14,16-26,28-33H,7-9H2/b6-3+
HMDB41488	4,5-Dihydropiperlonguminine	CC(C)CNC(=O)\C=C\CCC1=CC=C2OCOC2=C1	InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+
HMDB49870	TG(18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,33,38,41,54H,4-15,17-18,20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,33-30-,41-38-
HMDB50466	TG(20:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-
HMDB49876	TG(18:1(9Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,33,54H,4-6,8-9,11-15,17-18,20,22-23,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,33-30-
HMDB49874	TG(18:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,52H,4-6,8-9,11-15,17-18,20,22-23,29-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-
HMDB49875	TG(18:1(9Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,32,35,52H,4-6,8-9,11-15,17-18,20,22-23,29-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,35-32-
HMDB38636	Methoxybrassenin B	CON1C=C(C(=O)N=C(SC)SC)C2=C1C=CC=C2	InChI=1S/C13H14N2O2S2/c1-17-15-8-10(9-6-4-5-7-11(9)15)12(16)14-13(18-2)19-3/h4-8H,1-3H3
HMDB37189	Rhodinyl isobutyrate	CC(C)C(=O)OCCC(C)CCCC(C)=C	InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3
HMDB09296	PE(20:2(11Z,14Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43H,3-10,12,14-16,21-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-/t43-/m1/s1
HMDB09297	PE(20:2(11Z,14Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43H,3-10,15-16,21-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-/t43-/m1/s1
HMDB09294	PE(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,26,28,41H,3-5,7,9-10,15-16,20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,28-26-/t41-/m1/s1
HMDB39915	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; D3'-Isomer, 2'x-hydroxy, 3,7-di-Me ether	COC1=CC2=C(C(O)=C1CC(O)C(C)=C)C(=O)C1=C(CC=C(C)C)C(OC)=C(O)C=C1O2	InChI=1S/C25H28O7/c1-12(2)7-8-14-21-19(10-17(27)25(14)31-6)32-20-11-18(30-5)15(9-16(26)13(3)4)23(28)22(20)24(21)29/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3
HMDB09292	PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,26,28,41H,3-10,15-16,20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,28-26-/t41-/m1/s1
HMDB09293	PE(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,41H,3-5,7,9-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-/t41-/m1/s1
HMDB09290	PE(20:2(11Z,14Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,41H,3-10,12,14-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-/t41-/m1/s1
HMDB09291	PE(20:2(11Z,14Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,41H,3-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-/t41-/m1/s1
HMDB04073	5-Hydroxyindoleacetaldehyde	OC1=CC2=C(NC=C2CC=O)C=C1	InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2
HMDB04072	4-Hydroxystyrene	OC1=CC=C(C=C)C=C1	InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
HMDB04077	4,6-Dihydroxyquinoline	OC1=CC2=C(O)C=CN=C2C=C1	InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12)
HMDB04076	5-Hydroxykynurenamine	NCCC(=O)C1=C(N)C=CC(O)=C1	InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2
HMDB45339	TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,38,40-41,43,56H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB45338	TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,38,41,56H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-
HMDB57459	CL(16:1(9Z)/18:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-33,36,73-75,80H,5-26,29-30,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-,36-33-/t73?,74-,75-/m1/s1
HMDB57458	CL(16:1(9Z)/18:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-33,35,71-73,78H,5-26,29-30,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-/t71?,72-,73-/m1/s1
HMDB45335	TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-
HMDB45334	TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,36,39-40,43,58H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-
HMDB45337	TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,54H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-
HMDB45336	TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,36,39,54H,4-6,8,11,13-15,17,20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,39-36-
HMDB45331	TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31-32,34,38,41,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-
HMDB45330	TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,21-22,25,27,30,37,40,55H,4-8,10-11,14-15,17,19-20,23-24,26,28-29,31-36,38-39,41-54H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,30-27-,40-37-
HMDB45333	TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,33,40,43,58H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-,43-40-
HMDB45332	TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31-32,34,38,40-41,43,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB03869	Epsilon-(gamma-Glutamyl)-lysine	N[C@@H](CCCCNC(=O)CC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C11H21N3O5/c12-7(10(16)17)3-1-2-6-14-9(15)5-4-8(13)11(18)19/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
HMDB09748	PE(24:1(15Z)/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h17-18,43H,3-16,19-42,46H2,1-2H3,(H,49,50)/b18-17-/t43-/m1/s1
HMDB09749	PE(24:1(15Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16-18,43H,3-13,15,19-42,46H2,1-2H3,(H,49,50)/b16-14-,18-17-/t43-/m1/s1
HMDB49489	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB49488	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,18,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB09744	PE(24:0/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h18,20,39,42,46H,3-17,19,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b20-18-,42-39-/t46-/m1/s1
HMDB09745	PE(24:1(15Z)/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-25-14-12-10-8-6-4-2/h16-17,41H,3-15,18-40,44H2,1-2H3,(H,47,48)/b17-16-/t41-/m1/s1
HMDB09746	PE(24:1(15Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,16-17,41H,3-9,11,13-15,18-40,44H2,1-2H3,(H,47,48)/b12-10-,17-16-/t41-/m1/s1
HMDB09747	PE(24:1(15Z)/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C44H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45)53-44(47)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h17-18,42H,3-16,19-41,45H2,1-2H3,(H,48,49)/b18-17-/t42-/m1/s1
HMDB09740	PE(24:0/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,51H,3-17,19,21-50,54H2,1-2H3,(H,57,58)/b20-18-/t51-/m1/s1
HMDB09741	PE(24:0/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C45H90NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h37,40,44H,3-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b40-37-/t44-/m1/s1
HMDB09742	PE(24:0/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C47H94NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h39,42,46H,3-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b42-39-/t46-/m1/s1
HMDB09743	PE(24:0/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16,39,42,46H,3-13,15,17-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,42-39-/t46-/m1/s1
HMDB37723	2-Phenylethyl 2-furancarboxylate	O=C(OCCC1=CC=CC=C1)C1=CC=CO1	InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
HMDB39918	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; D1''-Isomer(E-), 3''-hydroxy, 3,6,7-tri-Me ether	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(\C=C\C(C)(C)O)C(OC)=C(OC)C=C1O2	InChI=1S/C26H30O7/c1-14(2)8-9-15-17(30-5)12-19-22(23(15)27)24(28)21-16(10-11-26(3,4)29)25(32-7)20(31-6)13-18(21)33-19/h8,10-13,27,29H,9H2,1-7H3/b11-10+
HMDB37722	C.I. Pigment Yellow 100	[Al+3].OC(=O)C1=NN(C(O)=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O	InChI=1S/C16H12N4O9S2.Al/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;+3/b18-17+;
HMDB39919	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; D3'-Isomer, 2'x-hydroxy, 3,6,7-tri-Me ether	COC1=CC2=C(C(O)=C1CC(O)C(C)=C)C(=O)C1=C(CC=C(C)C)C(OC)=C(OC)C=C1O2	InChI=1S/C26H30O7/c1-13(2)8-9-15-22-19(12-21(31-6)26(15)32-7)33-20-11-18(30-5)16(10-17(27)14(3)4)24(28)23(20)25(22)29/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3
HMDB30113	Kuwanon Q	CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C(=CC=C2O)C(=O)\C=C\C2=C(O)C=C(O)C=C2)C2=CC=C(O)C=C2)=C1O	InChI=1S/C40H38O9/c1-21(2)4-12-27-33(44)16-14-29(38(27)47)40(49)36-30(23-5-9-25(41)10-6-23)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-8-24-7-11-26(42)20-35(24)46/h4-11,13-17,19-20,30-31,36,41-42,44-48H,12,18H2,1-3H3/b15-8+
HMDB45483	TG(20:0/14:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h25,28,52H,4-24,26-27,29-51H2,1-3H3/b28-25-
HMDB45482	TG(20:0/14:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB45481	TG(20:0/14:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB37720	2-Phenylethyl 2-methylbutanoate	CCC(C)C(=O)OCCC1=CC=CC=C1	InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
HMDB45487	TG(20:0/14:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-
HMDB45486	TG(20:0/14:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-
HMDB45485	TG(20:0/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,30,32,37,40,54H,4-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b26-24-,32-30-,40-37-
HMDB45484	TG(20:0/14:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-
HMDB37727	Furfuryl pentanoate	CCCCC(=O)OCC1=CC=CO1	InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3
HMDB45489	TG(20:0/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,33,35,52H,4-16,18-19,21-24,26-27,29-32,34,36-51H2,1-3H3/b20-17-,28-25-,35-33-
HMDB45488	TG(20:0/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h20,23,27,29,53H,4-19,21-22,24-26,28,30-52H2,1-3H3/b23-20-,29-27-
HMDB38632	6-Methoxy-3-(2-thiazolyl)-1H-indole	COC1=CC2=C(C=C1)C(=CN2)C1=NC=CS1	InChI=1S/C12H10N2OS/c1-15-8-2-3-9-10(7-14-11(9)6-8)12-13-4-5-16-12/h2-7,14H,1H3
HMDB37726	Octyl 2-furoate	CCCCCCCCOC(=O)C1=CC=CO1	InChI=1S/C13H20O3/c1-2-3-4-5-6-7-10-16-13(14)12-9-8-11-15-12/h8-9,11H,2-7,10H2,1H3
HMDB48682	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,34,37,43,46,58H,4-20,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b24-21-,27-25-,28-26-,37-34-,46-43-
HMDB48683	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,36,39,45,48,60H,4-20,22-23,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b24-21-,27-25-,28-26-,39-36-,48-45-
HMDB48680	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,32,35,41,44,56H,4-20,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b24-21-,27-25-,28-26-,35-32-,44-41-
HMDB48681	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,31-32,34-35,40-41,43-44,56H,4-20,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB48686	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,31,34,40,43,55H,4-13,15-16,18-20,22,28-30,32-33,35-39,41-42,44-54H2,1-3H3/b17-14-,24-21-,26-23-,27-25-,34-31-,43-40-
HMDB37725	Hexyl 2-furoate	CCCCCCOC(=O)C1=CC=CO1	InChI=1S/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3
HMDB48684	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,30-31,34,40,43,55H,4-19,22,26,29,32-33,35-39,41-42,44-54H2,1-3H3/b23-20-,24-21-,27-25-,30-28-,34-31-,43-40-
HMDB48685	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,33,35,38-39,42,54H,4-16,18-19,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB48688	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,40-41,43-44,56H,4-15,17-18,20,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB37724	Propyl 2-furoate	CCCOC(=O)C1=CC=CO1	InChI=1S/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3
HMDB49155	TG(18:1(11Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-
HMDB49154	TG(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,30-31,36,39,45,48,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,39-36-,48-45-
HMDB49157	TG(18:1(11Z)/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,27,31,56H,4-19,21-22,24-26,28-30,32-55H2,1-3H3/b23-20-,31-27-
HMDB49156	TG(18:1(11Z)/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-
HMDB49151	TG(18:1(11Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,32,34,56H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-31,33,35-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,34-32-
HMDB49150	TG(18:1(11Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,34,37,54H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,37-34-
HMDB49153	TG(18:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,39-36-
HMDB49152	TG(18:1(11Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,32,34,40,43,56H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,34-32-,43-40-
HMDB38633	(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one	OC1(CC#N)C(=O)NC2=C1C=CC=C2	InChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)
HMDB49159	TG(18:1(11Z)/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,33,36,42,45,58H,4-20,22-23,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b24-21-,28-25-,36-33-,45-42-
HMDB49158	TG(18:1(11Z)/20:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,58H,4-20,22-23,26-27,29-57H2,1-3H3/b24-21-,28-25-
HMDB35535	7,9-Triacontanedione	CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC	InChI=1S/C30H58O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-8-6-4-2/h3-28H2,1-2H3
HMDB35615	Mangiferonic acid	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C	InChI=1S/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+
HMDB35614	2-Bornanol	CC1(C)C2CCC1(C)C(O)C2	InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
HMDB35617	6-Hydroxy-8-heptacosanone	CCCCCCCCCCCCCCCCCCCC(=O)CC(O)CCCCC	InChI=1S/C27H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h26,28H,3-25H2,1-2H3
HMDB35616	3,3',4,4'-Tetrahydroxy-2-methoxychalcone	COC1=C(O)C(O)=CC=C1\C=C\C(=O)C1=CC(O)=C(O)C=C1	InChI=1S/C16H14O6/c1-22-16-9(3-7-13(19)15(16)21)2-5-11(17)10-4-6-12(18)14(20)8-10/h2-8,18-21H,1H3/b5-2+
HMDB35611	Dammaradienol	CC(C)=CCCC(=C)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC21C	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,3,9,11-19H2,1-2,4-8H3
HMDB35610	1,3-Dihydroxy-12,6-eudesmanolide; (1b,4a,6a,11aH)-form, 3-Ketone, 1-O-b-D-glucopyranoside	CC1C2CCC3(C)C(CC(=O)C(C)C3C2OC1=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H32O9/c1-8-10-4-5-21(3)13(6-11(23)9(2)14(21)18(10)30-19(8)27)29-20-17(26)16(25)15(24)12(7-22)28-20/h8-10,12-18,20,22,24-26H,4-7H2,1-3H3
HMDB35613	Epioxylubimin	CC1C(O)C(O)CC(C=O)C11CCC(C1)C(C)=C	InChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3
HMDB35612	(R)-ar-Turmerone	CC(CC(=O)C=C(C)C)C1=CC=C(C)C=C1	InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3
HMDB35619	alpha-Carene	CC1=CCC2C(C1)C2(C)C	InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
HMDB35618	4-Hydroxy-6-heptacosanone	CCCCCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC	InChI=1S/C27H54O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)25-26(28)23-4-2/h26,28H,3-25H2,1-2H3
HMDB46688	TG(22:0/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,36,38,44,47,61H,4-14,16-17,19-23,25,28,30-35,37,39-43,45-46,48-60H2,1-3H3/b18-15-,27-24-,29-26-,38-36-,47-44-
HMDB46689	TG(22:0/20:2n6/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,63H,4-14,16-17,19-23,26,29-62H2,1-3H3/b18-15-,27-24-,28-25-
HMDB35536	10,12-Nonacosanedione	CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C29H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-29(31)27-28(30)25-23-21-19-10-8-6-4-2/h3-27H2,1-2H3
HMDB46684	TG(22:0/20:2n6/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,57H,4-13,15-16,18-20,22,25,27-56H2,1-3H3/b17-14-,24-21-,26-23-
HMDB46685	TG(22:0/20:2n6/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,59H,4-13,15-16,18-20,22,25,27-58H2,1-3H3/b17-14-,24-21-,26-23-
HMDB46686	TG(22:0/20:2n6/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,33,59H,4-13,15-16,18-22,24-25,28-32,34-58H2,1-3H3/b17-14-,26-23-,33-27-
HMDB46687	TG(22:0/20:2n6/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,61H,4-14,16-17,19-23,25,28,30-60H2,1-3H3/b18-15-,27-24-,29-26-
HMDB46680	TG(22:0/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,40,43,59H,4-17,19-20,22-26,28-32,34-39,41-42,44-58H2,1-3H3/b21-18-,33-27-,43-40-
HMDB46681	TG(22:0/20:2n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,63H,4-14,16-17,19-23,25-26,28-62H2,1-3H3/b18-15-,27-24-
HMDB46682	TG(22:0/20:2n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,65H,4-14,16-17,19-23,25-26,28-64H2,1-3H3/b18-15-,27-24-
HMDB46683	TG(22:0/20:2n6/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,55H,4-13,16,19-22,24,26-54H2,1-3H3/b17-14-,18-15-,25-23-
HMDB54465	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,36,39-40,43,45,48,60H,4-8,10-11,13-15,17,20,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB35537	6,8-Nonacosanedione	CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C29H56O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-29(31)27-28(30)25-23-6-4-2/h3-27H2,1-2H3
HMDB56757	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,27-32,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1
HMDB02020	3'-hydroxy-e,e-caroten-3-one	C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CC(=O)CC1(C)C	InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
HMDB43580	TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,35-36,39,41,44,57H,4-15,17-18,20-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-
HMDB02022	Glycineamideribotide	NCC(=O)N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1
HMDB02023	Ethyladipic acid	CCC(CCCC(O)=O)C(O)=O	InChI=1S/C8H14O4/c1-2-6(8(11)12)4-3-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
HMDB33518	S-(2-Aminoethyl)-L-cysteine	NCCSCC(N)C(O)=O	InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
HMDB33519	N-Ornithyl-L-taurine	NCCCC(N)C(=O)NCCS(O)(=O)=O	InChI=1S/C7H17N3O4S/c8-3-1-2-6(9)7(11)10-4-5-15(12,13)14/h6H,1-5,8-9H2,(H,10,11)(H,12,13,14)
HMDB02026	1,9-Dimethyluric acid	CN1C(=O)NC2=C1NC(=O)N(C)C2=O	InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14)
HMDB02027	8-Dehydrocholesterol	[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3)[C@H](C)CCCC(C)C	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1
HMDB33514	Fusarochromanone	CC1(C)CC(=O)C2=C(N)C(=CC=C2O1)C(=O)CC(N)CO	InChI=1S/C15H20N2O4/c1-15(2)6-11(20)13-12(21-15)4-3-9(14(13)17)10(19)5-8(16)7-18/h3-4,8,18H,5-7,16-17H2,1-2H3
HMDB33515	Citreovirenone	COC1=CC(O)=CC(CC2=CC(=O)CC(C)O2)=C1	InChI=1S/C14H16O4/c1-9-3-11(15)8-14(18-9)6-10-4-12(16)7-13(5-10)17-2/h4-5,7-9,16H,3,6H2,1-2H3
HMDB33516	Citreovirone	COC1=CC(O)=CC(CC(=O)CC(O)C(Cl)Cl)=C1	InChI=1S/C12H14Cl2O4/c1-18-10-4-7(2-8(15)5-10)3-9(16)6-11(17)12(13)14/h2,4-5,11-12,15,17H,3,6H2,1H3
HMDB33517	5,6-Dihydro-4-methoxy-2H-pyran-2-one	COC1=CC(=O)OCC1	InChI=1S/C6H8O3/c1-8-5-2-3-9-6(7)4-5/h4H,2-3H2,1H3
HMDB33511	Protogonyautoxin I	OC1(O)C(CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC123)OS(O)(=O)=O	InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)
HMDB33512	Gonyautoxin VI	ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CCC2(O)O)C1=N	InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)
HMDB33513	Gonyautoxin V	OC1(O)CCN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC123	InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)
HMDB41300	PRE	OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(C(C(O)=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)\C=C/C3=CC=C(O)C=C3)=C2O)C(=O)C(C(=O)\C=C/C2=CC=C(O)C=C2)=C1O	InChI=1S/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-48,51-53,55-58,60-62,65-66H,13-14H2,(H,63,64)/b11-5-,12-6-
HMDB41301	(3R, 6'Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one	CCCCCCCC\C=C\CCCCCC1CC2=C(C(=O)O1)C(O)=CC=C2	InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-19-20-16-15-18-22(25)23(20)24(26)27-21/h9-10,15-16,18,21,25H,2-8,11-14,17,19H2,1H3/b10-9+
HMDB41302	(R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one	CCCCCCCCCCCCCC1CC2=C(C(=O)O1)C(O)=CC=C2	InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-17-18-14-13-16-20(23)21(18)22(24)25-19/h13-14,16,19,23H,2-12,15,17H2,1H3
HMDB41303	Glyinflanin H	CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1=CC2=C(O1)C=C(O)C=C2	InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3
HMDB41304	Asparenyol	COC1=CC=C(OC\C=C/C#CC2=CC=C(O)C=C2)C=C1	InChI=1S/C18H16O3/c1-20-17-10-12-18(13-11-17)21-14-4-2-3-5-15-6-8-16(19)9-7-15/h2,4,6-13,19H,14H2,1H3/b4-2-
HMDB41305	1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene	COC1=CC=C(OC\C=C/C#CC2=CC=C(OC)C=C2)C=C1	InChI=1S/C19H18O3/c1-20-17-9-7-16(8-10-17)6-4-3-5-15-22-19-13-11-18(21-2)12-14-19/h3,5,7-14H,15H2,1-2H3/b5-3-
HMDB41306	Methyl 2-(methylthio)butyrate	CCC(SC)C(=O)OC	InChI=1S/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3
HMDB41307	Italipyrone	CCC1=C(C)C(=O)C(CC2=C(O)C(C(C)=O)=C(O)C3=C2OC(C3)C(C)=C)=C(O)O1	InChI=1S/C22H24O7/c1-6-15-10(4)18(24)14(22(27)29-15)7-12-19(25)17(11(5)23)20(26)13-8-16(9(2)3)28-21(12)13/h16,25-27H,2,6-8H2,1,3-5H3
HMDB41308	Italidipyrone	CCC(C)C(=O)C1=C(O)C(CC2=C(O)C(C)=C(CC)OC2=O)=C(O)C(CC2=C(O)C(C)=C(CC)OC2=O)=C1O	InChI=1S/C29H34O10/c1-7-12(4)22(30)21-26(34)15(10-17-23(31)13(5)19(8-2)38-28(17)36)25(33)16(27(21)35)11-18-24(32)14(6)20(9-3)39-29(18)37/h12,31-35H,7-11H2,1-6H3
HMDB41309	(2S,4S)-Monatin	NC(CC(O)(CC1=CNC2=C1C=CC=C2)C(O)=O)C(O)=O	InChI=1S/C14H16N2O5/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20)
HMDB50483	TG(20:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,30,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-
HMDB50482	TG(20:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-
HMDB50485	TG(20:1(11Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-
HMDB50484	TG(20:1(11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,30,36,39,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,39-36-
HMDB50487	TG(20:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-
HMDB43585	TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,35,38,56H,4-13,15,18,20-22,24,28-29,32-34,36-37,39-55H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,38-35-
HMDB34054	Auraptene	CC(C)=CCC\C(C)=C\COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
HMDB34055	Mangicrocin	C\C(OC(=O)CC1OC(C(O)C(O)C1O)C1=C(O)C=C2OC3=C(C=C(O)C(O)=C3)C(=O)C2=C1O)=C/C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H50O19/c1-20(11-7-13-22(3)44(59)64-45-42(58)40(56)37(53)31(19-46)63-45)9-5-6-10-21(2)12-8-14-23(4)60-32(50)18-30-36(52)39(55)41(57)43(62-30)33-27(49)17-29-34(38(33)54)35(51)24-15-25(47)26(48)16-28(24)61-29/h5-17,30-31,36-37,39-43,45-49,52-58H,18-19H2,1-4H3/b6-5+,11-7+,12-8-,20-9+,21-10+,22-13-,23-14+
HMDB34056	5-(3,4-Methylenedioxyphenyl)pentanoic acid	OC(=O)CCCCC1=CC2=C(OCO2)C=C1	InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)
HMDB34057	2,3-Dihydrowithanolide E	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC44CCCC(=O)C4(C)C3CCC12C	InChI=1S/C28H40O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h17-18,20-21,31-33H,6-14H2,1-5H3
HMDB34050	Psoralidin	CC(C)=CCC1=C(O)C=C2OC(=O)C3=C(OC4=C3C=CC(O)=C4)C2=C1	InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3
HMDB34051	6-Galloylglucose	OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2
HMDB34052	Safflomin C	OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(C(CC(O)=O)C2=CC=C(O)C=C2)C(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C1=O	InChI=1S/C30H30O14/c31-12-19-23(37)25(39)26(40)29(44-19)30(43)27(41)21(17(11-20(35)36)14-4-8-16(33)9-5-14)24(38)22(28(30)42)18(34)10-3-13-1-6-15(32)7-2-13/h1-10,17,19,23,25-26,29,31-33,37-41,43H,11-12H2,(H,35,36)/b10-3+
HMDB34053	Polypodoside A	CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1CCC(C)C(OC2OC(C)C(O)C(O)C2O)O1	InChI=1S/C45H72O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h16,18-22,24-27,29-43,46,48-55H,7-15,17H2,1-6H3
HMDB43587	TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,41,44,57H,4-15,18,21-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-
HMDB34058	Quinacridone	O=C1C2=CC=CC=C2NC2=C1C=C1NC3=C(C=CC=C3)C(=O)C1=C2	InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)
HMDB34059	4beta-Hydroxywithanolide E	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3
HMDB43588	TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,38,41,59H,4-15,18,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,41-38-
HMDB43589	TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,59H,4-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-
HMDB43724	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,40,43,55H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,43-40-
HMDB43725	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,31-34,39-40,42-43,55H,4-7,9-10,12-16,18-19,21-24,29-30,35-38,41,44-54H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB35532	12,14-Triacontanedione	CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC	InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30(32)28-29(31)26-24-22-20-18-12-10-8-6-4-2/h3-28H2,1-2H3
HMDB43728	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,39,42,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,33-31-,42-39-
HMDB43729	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,34,37-38,41,53H,4-6,8-9,11-15,18,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-
HMDB32117	Sasanquol	CC(C)=CCCC1(C)CCC2(C)C3CCC(C(CCCO)C3(C)CCC2(C)C1)=C(C)C	InChI=1S/C30H52O/c1-22(2)11-9-15-27(5)16-19-30(8)26-14-13-24(23(3)4)25(12-10-20-31)29(26,7)18-17-28(30,6)21-27/h11,25-26,31H,9-10,12-21H2,1-8H3
HMDB01018	UDP-D-Xylose	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OC2OC[C@@H](O)[C@H](O)[C@H]2O)OC([C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12?,13?/m1/s1
HMDB32115	1-(Methylthio)ethyl 2-propenyl disulfide	CSC(C)SSCC=C	InChI=1S/C6H12S3/c1-4-5-8-9-6(2)7-3/h4,6H,1,5H2,2-3H3
HMDB54268	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB42763	TG(14:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-30,36,39,52H,4-7,9-10,12-16,18-19,21-23,27,31-35,37-38,40-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,30-29-,39-36-
HMDB42762	TG(14:0/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28,52H,4-7,9-10,12-16,18-19,21-23,27,29-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-
HMDB42761	TG(14:0/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,50H,4-7,9-10,12-16,18-19,21-23,28-49H2,1-3H3/b11-8-,20-17-,26-24-,27-25-
HMDB42760	TG(14:0/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25,27,50H,4-7,9-10,12-16,18,21,23-24,26,28-49H2,1-3H3/b11-8-,20-17-,22-19-,27-25-
HMDB42767	TG(14:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,34,50H,4-7,9-10,12-15,18,21-23,28-30,32-33,35-49H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-31-
HMDB42766	TG(14:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25-28,51H,4-7,9-10,12-16,18,21,23-24,29-50H2,1-3H3/b11-8-,20-17-,22-19-,27-25-,28-26-
HMDB42765	TG(14:0/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-
HMDB42764	TG(14:0/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-
HMDB42769	TG(14:0/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,52H,4-7,9-10,12-15,18,21-23,27,31-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-
HMDB42768	TG(14:0/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,24-25,27,51H,4-7,9-10,12,14-15,18-19,21,23,26,28-50H2,1-3H3/b11-8-,16-13-,20-17-,24-22-,27-25-
HMDB39611	Curcumin I	COC1=C(O)C=CC(C\C=C\C(=O)CC(=O)\C=C/CC2=CC(OC)=C(O)C=C2)=C1	InChI=1S/C23H24O6/c1-28-22-13-16(9-11-20(22)26)5-3-7-18(24)15-19(25)8-4-6-17-10-12-21(27)23(14-17)29-2/h3-4,7-14,26-27H,5-6,15H2,1-2H3/b7-3-,8-4+
HMDB39610	Curcumin II	COC1=C(O)C=CC(C\C=C\C(=O)CC(=O)\C=C/CC2=CC=C(O)C=C2)=C1	InChI=1S/C22H22O5/c1-27-22-14-17(10-13-21(22)26)5-3-7-20(25)15-19(24)6-2-4-16-8-11-18(23)12-9-16/h2-3,6-14,23,26H,4-5,15H2,1H3/b6-2-,7-3+
HMDB39613	3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl	CC(C)C1=C(O)C(O)=C(C)C(=C1)C1=CC(C(C)C)=C(O)C(O)=C1C	InChI=1S/C20H26O4/c1-9(2)13-7-15(11(5)17(21)19(13)23)16-8-14(10(3)4)20(24)18(22)12(16)6/h7-10,21-24H,1-6H3
HMDB39612	2,4-Dihydroxychalcone	OC1=CC(O)=C(\C=C\C(=O)C2=CC=CC=C2)C=C1	InChI=1S/C15H12O3/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-10,16,18H/b9-7+
HMDB39615	Colupone	CC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	InChI=1S/C30H44O4/c1-19(2)11-15-29(16-12-20(3)4)26(32)24(25(31)23(9)10)27(33)30(28(29)34,17-13-21(5)6)18-14-22(7)8/h11-14,23,32H,15-18H2,1-10H3
HMDB39614	3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl	CC(C)C1=C(O)C=C(C)C(=C1)C1=CC(C(C)C)=C(O)C(O)=C1C	InChI=1S/C20H26O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21-23H,1-6H3
HMDB39617	Piperenol B	OC1C(O)C(O)(COC(=O)C2=CC=CC=C2)C=CC1OC(=O)C1=CC=CC=C1	InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2
HMDB39616	Orientalone	COC1=CC(=O)C2=C(C(O)=C(C(C)=O)C(C)=C2)C1=O	InChI=1S/C14H12O5/c1-6-4-8-9(16)5-10(19-3)13(17)12(8)14(18)11(6)7(2)15/h4-5,18H,1-3H3
HMDB39619	Isopropyl butyrate	CCCC(=O)OC(C)C	InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
HMDB39618	Propyl butyrate	CCCOC(=O)CCC	InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
HMDB32645	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)C2=CC=C(O)C(O)=C2)=C1O	InChI=1S/C19H20O11/c20-5-11-15(26)17(28)18(29)19(30-11)13-10(24)4-9(23)12(16(13)27)14(25)6-1-2-7(21)8(22)3-6/h1-4,11,15,17-24,26-29H,5H2
HMDB32644	Maclurin	OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1	InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
HMDB32643	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 2'',3'',6''-Tris(3,4,5-trihydroxybenzoyl)	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C(O)C(C(=O)C2=CC=C(O)C(O)=C2)=C1O	InChI=1S/C40H32O23/c41-16-2-1-12(3-17(16)42)29(51)27-18(43)10-19(44)28(34(27)56)35-37(63-40(59)15-8-24(49)32(54)25(50)9-15)36(62-39(58)14-6-22(47)31(53)23(48)7-14)33(55)26(61-35)11-60-38(57)13-4-20(45)30(52)21(46)5-13/h1-10,26,33,35-37,41-50,52-56H,11H2
HMDB32642	5-Methyl-5-pentacosanol	CCCCCCCCCCCCCCCCCCCCC(C)(O)CCCC	InChI=1S/C26H54O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(3,27)24-7-5-2/h27H,4-25H2,1-3H3
HMDB32641	Batatasin IV	COC1=CC(O)=CC(CCC2=C(O)C=CC=C2)=C1	InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
HMDB32640	Ethyl p-anisate	CCOC(=O)C1=CC=C(OC)C=C1	InChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
HMDB54262	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB54265	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,41-42,44-45,58H,4-8,10-11,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB54264	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB30735	Aurantiumal	C\C(CCC(C)(C)C=O)=C/COC1=C2C=CC(=O)OC2=CC2=C1C=CO2	InChI=1S/C21H22O5/c1-14(6-9-21(2,3)13-22)7-10-25-20-15-4-5-19(23)26-18(15)12-17-16(20)8-11-24-17/h4-5,7-8,11-13H,6,9-10H2,1-3H3/b14-7+
HMDB37506	3,5,7-Trihydroxyflavanone; (2R,3R)-form, 5-O-[b-D-Galactopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=CC4=C3C(=O)C(O)C(O4)C3=CC=CC=C3)OC2CO)C(O)C(O)C1O	InChI=1S/C27H32O15/c28-8-14-17(31)19(33)22(36)27(40-14)42-25-15(9-29)41-26(23(37)21(25)35)39-13-7-11(30)6-12-16(13)18(32)20(34)24(38-12)10-4-2-1-3-5-10/h1-7,14-15,17,19-31,33-37H,8-9H2
HMDB30737	Capsianoside V	C\C(CC(O)\C=C(/C)C(O)=O)=C/CC\C(CO)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C26H42O10/c1-5-26(4,36-25-23(32)22(31)21(30)20(15-28)35-25)11-7-10-18(14-27)9-6-8-16(2)12-19(29)13-17(3)24(33)34/h5,8,10,13,19-23,25,27-32H,1,6-7,9,11-12,14-15H2,2-4H3,(H,33,34)/b16-8+,17-13+,18-10-
HMDB37504	3,3',5-Trihydroxy-4',7-dimethoxyflavanone	COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC=C(OC)C(O)=C1	InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,16-19,21H,1-2H3
HMDB30731	3-(1,1-Dimethylallyl)herniarin	COC1=CC2=C(C=C1)C=C(C(=O)O2)C(C)(C)C=C	InChI=1S/C15H16O3/c1-5-15(2,3)12-8-10-6-7-11(17-4)9-13(10)18-14(12)16/h5-9H,1H2,2-4H3
HMDB01016	D-4'-Phosphopantothenate	CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(O)=O	InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)
HMDB30733	Capsianside B	CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O	InChI=1S/C76H124O33/c1-13-75(11,108-73-62(93)57(88)53(84)47(33-78)102-73)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-65-50(81)43(9)100-70(63(65)94)98-36-49-55(86)58(89)61(92)72(104-49)106-66-51(82)44(10)99-69(64(66)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(59(90)54(85)48(34-79)103-74)107-71-60(91)56(87)52(83)46(32-77)101-71/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20+,38-27+,39-26+,40-24+,41-25-,42-31+
HMDB30732	Torvonin A	CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3
HMDB40941	2,3,23-Trihydroxy-12-oleanen-28-oic acid; (2a,3b)-form, 3-O-b-D-Glucopyranoside	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)
HMDB40940	Capsiamide	CC(C)CCCCCCCCCCCCNC(C)=O	InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)
HMDB40943	Mabiogenin; 3-O-[a-L-Rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(=O)OC(CC=C(C)C)C6(C)OC(O)C54C)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C42H68O14/c1-19(2)10-13-26-42(9)27(34(49)54-26)21-11-12-24-39(6)16-15-25(38(4,5)23(39)14-17-40(24,7)41(21,8)37(50)56-42)55-36-33(48)31(46)29(44)22(53-36)18-51-35-32(47)30(45)28(43)20(3)52-35/h10,20-33,35-37,43-48,50H,11-18H2,1-9H3
HMDB40942	Mabiogenin; 3-O-[a-L-Rhamnopyranosyl-(1-&gt;6)-[b-D-glucopyranosyl-(1-&gt;2)]-b-D-glucopyranoside]	CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(=O)OC(CC=C(C)C)C6(C)OC(O)C54C)C3(C)C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H78O19/c1-20(2)10-13-28-48(9)29(39(58)64-28)22-11-12-26-45(6)16-15-27(44(4,5)25(45)14-17-46(26,7)47(22,8)43(59)67-48)65-42-38(66-41-37(57)34(54)31(51)23(18-49)62-41)35(55)32(52)24(63-42)19-60-40-36(56)33(53)30(50)21(3)61-40/h10,21-38,40-43,49-57,59H,11-19H2,1-9H3
HMDB30739	Capsianoside F	CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O	InChI=1S/C82H134O37/c1-13-81(11,118-79-71(62(97)56(91)49(35-85)111-79)116-76-64(99)59(94)54(89)47(33-83)109-76)31-19-28-41(5)23-15-21-39(3)25-17-27-43(7)37-105-74-68(103)70(53(88)46(10)107-74)115-78-66(101)61(96)58(93)51(113-78)38-106-75-67(102)69(52(87)45(9)108-75)114-73(104)44(8)30-18-26-40(4)22-16-24-42(6)29-20-32-82(12,14-2)119-80-72(63(98)57(92)50(36-86)112-80)117-77-65(100)60(95)55(90)48(34-84)110-77/h13-14,21-22,27-30,45-72,74-80,83-103H,1-2,15-20,23-26,31-38H2,3-12H3/b39-21+,40-22+,41-28+,42-29+,43-27-,44-30+
HMDB30738	Capsianoside D	CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O	InChI=1S/C82H134O38/c1-13-81(11,119-79-71(62(98)56(92)49(34-85)112-79)117-76-64(100)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-74-68(104)70(53(89)45(10)108-74)116-78-66(102)61(97)58(94)51(114-78)37-107-75-67(103)69(52(88)44(9)109-75)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(63(99)57(93)50(35-86)113-80)118-77-65(101)60(96)55(91)48(33-84)111-77/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25-,43-31+
HMDB37509	Chalconosakuranetin	COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1	InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+
HMDB37508	Oxidihydroartocarpesin	CC(C)(O)CCC1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1O	InChI=1S/C20H20O7/c1-20(2,26)6-5-12-14(23)8-17-18(19(12)25)15(24)9-16(27-17)11-4-3-10(21)7-13(11)22/h3-4,7-9,21-23,25-26H,5-6H2,1-2H3
HMDB04026	21-Hydroxypregnenolone	[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
HMDB58090	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB01833	Aminopterin	NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)C=N2)C(N)=N1	InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)
HMDB01830	Progesterone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
HMDB38256	Geranyl acetoacetate	CC(=O)CC(=O)OC\C=C(\C)CCC=C(C)C	InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8-
HMDB38257	Geranyl phenylacetate	CC(C)=CCC\C(C)=C/COC(=O)CC1=CC=CC=C1	InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12-
HMDB38254	Isorhamnetin 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(50-10)49-9-18-22(41)26(45)31(55-33-28(47)25(44)21(40)17(8-35)52-33)34(53-18)54-30-23(42)19-14(38)6-12(36)7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3
HMDB38255	Geranyl 2-ethylbutyrate	CCC(CC)C(=O)OC\C=C(\C)CCC=C(C)C	InChI=1S/C16H28O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3/b14-11-
HMDB38252	Isorhamnetin 3-O-[4-Hydroxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;2)-a-L-rhamnopyranoside]	COC1=CC(=CC=C1O)C1=C(OC2OC(C)C(O)C(O)C2OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C37H38O18/c1-15-27(43)31(47)35(55-36-32(48)30(46)28(44)24(53-36)14-50-25(42)10-5-16-3-7-18(38)8-4-16)37(51-15)54-34-29(45)26-21(41)12-19(39)13-23(26)52-33(34)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27-28,30-32,35-41,43-44,46-48H,14H2,1-2H3/b10-5+
HMDB38253	Isorhamnetin 3-O-[b-D-Xylopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C33H40O20/c1-10-20(38)24(42)27(45)31(49-10)48-9-18-22(40)25(43)30(53-32-26(44)21(39)15(37)8-47-32)33(51-18)52-29-23(41)19-14(36)6-12(34)7-17(19)50-28(29)11-3-4-13(35)16(5-11)46-2/h3-7,10,15,18,20-22,24-27,30-40,42-45H,8-9H2,1-2H3
HMDB38250	Isobornyl isovalerate	CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12-,15+/m0/s1
HMDB38251	xi-Pinol	CC1=CCC2CC1OC2(C)C	InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3
HMDB59420	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,68,72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-52,55,59,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB59421	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-52,55,59,61-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-/t87?,88-,89-/m1/s1
HMDB59422	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,68,72,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-52,55,59,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB59423	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,49-50,53-54,61,65,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-48,51-52,55-60,62-64,66-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-/t83?,84-,85-/m1/s1
HMDB59424	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59425	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,66,70,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-52,55,59,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB38258	Neryl propionate	CCC(=O)OC\C=C(\C)CCC=C(C)C	InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-
HMDB38259	Neryl butyrate	CCCC(=O)OC\C=C(\C)CCC=C(C)C	InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-
HMDB57404	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB57405	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB57406	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB43412	TG(15:0/18:2(9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,54H,4-15,17-18,21-22,24,26,29,33-53H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,32-31-
HMDB43413	TG(15:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,38,41,54H,4-15,17-18,21-22,24,26,29,33-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,32-31-,41-38-
HMDB43410	TG(15:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26-29,33,36,52H,4-16,18,21,23-25,30-32,34-35,37-51H2,1-3H3/b20-17-,22-19-,28-26-,29-27-,36-33-
HMDB43411	TG(15:0/18:2(9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,28,30,53H,4-12,14-15,17-19,21,24,26-27,29,31-52H2,1-3H3/b16-13-,23-20-,25-22-,30-28-
HMDB43416	TG(15:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,34,37,43,46,56H,4-15,17-18,21-22,24,26,29,33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,37-34-,46-43-
HMDB43417	TG(15:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,52H,4-7,9-10,12-16,18,21,23-25,30-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-
HMDB43414	TG(15:0/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,32,56H,4-15,17-18,21-22,24,26,29-31,33-55H2,1-3H3/b19-16-,23-20-,27-25-,32-28-
HMDB43415	TG(15:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,34,37,56H,4-15,17-18,21-22,24,26,29,33,35-36,38-55H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,37-34-
HMDB57400	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB43418	TG(15:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,33,36,52H,4-7,9-10,12-16,18,21,23-25,30-32,34-35,37-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-,36-33-
HMDB43419	TG(15:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,32-31-
HMDB57401	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB56472	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-40,44,47,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-43,45-46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-44-/t76?,77-,78-/m1/s1
HMDB57402	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB56473	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,38,40,42,45-46,48,54,58,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,41,43-44,47,49-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-/t77?,78-,79-/m1/s1
HMDB40177	3-Ethyl-1,2-benzenediol	CCC1=C(O)C(O)=CC=C1	InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3
HMDB56470	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1
HMDB56474	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56475	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1
HMDB46709	TG(22:0/20:3n6/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,58H,4-16,18-19,22-23,25,27,29-33,35-36,38-57H2,1-3H3/b20-17-,24-21-,28-26-,37-34-
HMDB36368	(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC=C2O1	InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+
HMDB36369	Annocherine B	COC(C1=CC=C(O)C=C1)C1=NC=CC2=CC(OC)=C(O)C=C12	InChI=1S/C18H17NO4/c1-22-16-9-12-7-8-19-17(14(12)10-15(16)21)18(23-2)11-3-5-13(20)6-4-11/h3-10,18,20-21H,1-2H3
HMDB36364	beta-Santalene	CC(C)=CCCC1(C)C2CCC(C2)C1=C	InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3
HMDB36365	Cyclopassifloside X	CC(C)C(O)(CO)CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C37H62O12/c1-18(2)36(47,17-39)10-9-19(3)26-20(40)14-33(5)22-7-8-23-34(6,31(46)49-30-29(45)28(44)27(43)21(15-38)48-30)24(41)13-25(42)37(23)16-35(22,37)12-11-32(26,33)4/h18-30,38-45,47H,7-17H2,1-6H3
HMDB36366	3-(3,5-Dihydroxyphenyl)-5-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran; (2S,3S)-(E)-form, 3''-O-b-D-Glucopyranoside	OCC1OC(OC2=CC(=CC(O)=C2)C2C(OC3=C2C=C(\C=C\C2=CC(O)=CC(O)=C2)C=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C34H32O11/c35-16-28-30(40)31(41)32(42)34(45-28)43-25-13-20(12-24(39)15-25)29-26-11-17(1-2-18-9-22(37)14-23(38)10-18)3-8-27(26)44-33(29)19-4-6-21(36)7-5-19/h1-15,28-42H,16H2/b2-1+
HMDB36367	3-(3,5-Dihydroxyphenyl)-5-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran; (2S,3S)-(E)-form, 3'''-O-b-D-Glucopyranoside	OCC1OC(OC2=CC(\C=C\C3=CC4=C(OC(C4C4=CC(O)=CC(O)=C4)C4=CC=C(O)C=C4)C=C3)=CC(O)=C2)C(O)C(O)C1O	InChI=1S/C34H32O11/c35-16-28-30(40)31(41)32(42)34(45-28)43-25-10-18(9-22(37)15-25)2-1-17-3-8-27-26(11-17)29(20-12-23(38)14-24(39)13-20)33(44-27)19-4-6-21(36)7-5-19/h1-15,28-42H,16H2/b2-1+
HMDB36360	Pipercyclobutanamide A	O=C(\C=C/C1C(\C=C\C2=CC=C3OCOC3=C2)C(C1C1=CC=C2OCOC2=C1)C(=O)N1CCCCC1)N1CCCCC1	InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)14-11-25-26(10-7-23-8-12-27-29(19-23)41-21-39-27)33(34(38)36-17-5-2-6-18-36)32(25)24-9-13-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,32-33H,1-6,15-18,21-22H2/b10-7+,14-11-
HMDB36361	Pipercyclobutanamide B	O=C(\C=C/C1C(\C=C\C=C\C2=CC=C3OCOC3=C2)C(C1C1=CC=C2OCOC2=C1)C(=O)N1CCCCC1)N1CCCCC1	InChI=1S/C36H40N2O6/c39-33(37-17-5-1-6-18-37)16-13-28-27(10-4-3-9-25-11-14-29-31(21-25)43-23-41-29)35(36(40)38-19-7-2-8-20-38)34(28)26-12-15-30-32(22-26)44-24-42-30/h3-4,9-16,21-22,27-28,34-35H,1-2,5-8,17-20,23-24H2/b9-3+,10-4+,16-13-
HMDB36362	Oleanolic acid bisdesmosides; Triglycosides, 3-O-a-L-Arabinopyranoside, 28-O-[b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranosyl] ester	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3
HMDB36363	4-Deoxy-6-hydroxysquamotacin	CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCC(O)CCCC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-16-13-12-14-19-30(38)20-17-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB34731	Tomatidine	CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1	InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3
HMDB34730	2,4-Decadienoic acid; (2E,4Z)-form, Me ester	CCCCC\C=C/C=C/C(=O)OC	InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+
HMDB34733	Vaccinoside	OCC1OC(OC2OC=C(C3C=CC(O)(COC(=O)\C=C\C4=CC=C(O)C=C4)C23)C(O)=O)C(O)C(O)C1O	InChI=1S/C25H28O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,10,14,16,18-21,23-24,26-27,29-31,34H,9,11H2,(H,32,33)/b6-3+
HMDB34732	Thymoquinone	CC(C)C1=CC(=O)C(C)=CC1=O	InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
HMDB34735	Abietinal	CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C2CC1)C=O	InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3
HMDB34734	Aluminium sulfate	[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O	InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
HMDB34737	Notoginsenoside Fe	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-59-40-37(56)33(52)26(20-49)60-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)32(51)25(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3
HMDB34736	Abietinol	CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1	InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3
HMDB34739	Bullatanocin	CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
HMDB34738	Isotrichodermin	CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)CCC21C	InChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3
HMDB58481	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-38,40-43,47,55,59,78-80,85H,5-20,22-24,27-29,31-32,34,39,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,40-35-,41-36-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB58480	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,29-30,35-42,77-79,84H,5-24,27-28,31-34,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB58483	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-38,40-44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB58482	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-38,40-44,49,53,61,65,80-82,87H,5-20,22-24,27-29,31-32,34,39,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58485	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-40,43,50,54,75-77,82H,5-20,22-24,26-32,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,38-34-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58484	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-38,40-44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58487	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-40,43,50,54,75-77,82H,5-20,22-24,26-27,29-31,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,38-34-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58486	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37,39-40,42,44,52,56,77-79,84H,5-20,22-24,26-32,36,38,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,40-35-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58489	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-37,39-42,44,52,56,77-79,84H,5-20,22-24,26-32,38,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,40-35-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58488	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-35,37,39-40,42,44,52,56,77-79,84H,5-20,22-24,26-27,29-31,36,38,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,39-34-,40-35-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB34887	3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione	OC1CC2C(C=C1)C(=O)NC2=O	InChI=1S/C8H9NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-2,4-6,10H,3H2,(H,9,11,12)
HMDB34886	3-Pentylpyridine	CCCCCC1=CN=CC=C1	InChI=1S/C10H15N/c1-2-3-4-6-10-7-5-8-11-9-10/h5,7-9H,2-4,6H2,1H3
HMDB15400	Hydralazine	NNC1=NN=CC2=CC=CC=C12	InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
HMDB34884	1,2,3,4-Tetrahydro-6-propanoylpyridine	CCC(=O)C1=CCCCN1.CCC(=O)C1=NCCCC1	InChI=1S/2C8H13NO/c2*1-2-8(10)7-5-3-4-6-9-7/h2-6H2,1H3;5,9H,2-4,6H2,1H3
HMDB34883	3,4-Dihydro-5-propanoyl-2H-pyrrole	CCC(=O)C1=NCCC1	InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3
HMDB15407	Pirbuterol	CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1	InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3
HMDB15404	Dihydroergotoxine	CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@@H]3CC4C5=C6C(C[C@@]4([H])N(C)C3)=CNC6=CC=C5)O[C@@]21O	InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23?,25-,26+,27+,32-,33+;/m1./s1
HMDB15405	Fenoterol	CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1	InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
HMDB15408	Bismuth Subsalicylate	O[Bi]1OC(=O)C2=CC=CC=C2O1	InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3
HMDB15409	Bevantolol	COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1	InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3
HMDB34889	3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione	OC1C=CCC2C1C(=O)NC2=O	InChI=1S/C8H9NO3/c10-5-3-1-2-4-6(5)8(12)9-7(4)11/h1,3-6,10H,2H2,(H,9,11,12)
HMDB34888	4-Acetylimidazo[4,5-c]pyridine	CC(=O)C1=NC=CC2=C1NC=N2	InChI=1S/C8H7N3O/c1-5(12)7-8-6(2-3-9-7)10-4-11-8/h2-4H,1H3,(H,10,11)
HMDB46708	TG(22:0/20:3n6/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,33,35,56H,4-14,16,19,21-24,26,28-32,34,36-55H2,1-3H3/b18-15-,20-17-,27-25-,35-33-
HMDB29508	Laccaic acid D	CC1=C(C(O)=O)C(O)=CC2=C1C(=O)C1=C(C=C(O)C=C1O)C2=O	InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)
HMDB29509	Garcinone A	CC(C)=CCC1=C(O)C2=C(OC3=C(C=CC(O)=C3)C2=O)C(CC=C(C)C)=C1O	InChI=1S/C23H24O5/c1-12(2)5-8-16-20(25)17(9-6-13(3)4)23-19(22(16)27)21(26)15-10-7-14(24)11-18(15)28-23/h5-7,10-11,24-25,27H,8-9H2,1-4H3
HMDB29504	Marindinin	COC1=CC(=O)OC(CCC2=CC=CC=C2)C1	InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
HMDB29505	Kuwanon A	CC(C)=CCC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C2=C1OC(C)(C)C=C2	InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-28H,6H2,1-4H3
HMDB29506	Kuwanon B	CC(C)=CCC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=C(O)C2=C(OC(C)(C)C=C2)C=C1	InChI=1S/C25H24O6/c1-13(2)5-6-17-23(29)21-18(27)11-14(26)12-20(21)30-24(17)16-7-8-19-15(22(16)28)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3
HMDB29507	Mulberrin	CC(C)=CCC1=C(O)C=C(O)C2=C1OC(=C(CC=C(C)C)C2=O)C1=C(O)C=C(O)C=C1	InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
HMDB29500	Kaempferol 3-glucuronide	[H]OC(=O)C1([H])OC([H])(OC2=C(OC3=C([H])C(O[H])=C([H])C(O[H])=C3C2=O)C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]	InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)
HMDB29501	alpha-Rhamnorobin	CC(O)C1OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C(O)C1O	InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3
HMDB29502	Kaempferol 3-alpha-L-arabinofuranoside	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2
HMDB29503	3,4',5,7-Tetrahydroxyflavone; 3-O-[3,6-Di-O-acetyl-2,4-di-O-(4-hydroxycinnamoyl)-b-D-glucopyranoside]	CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C/C2=CC=C(O)C=C2)C(OC(C)=O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C43H36O17/c1-22(44)54-21-33-39(58-34(51)17-7-24-3-11-27(46)12-4-24)41(55-23(2)45)42(59-35(52)18-8-25-5-13-28(47)14-6-25)43(57-33)60-40-37(53)36-31(50)19-30(49)20-32(36)56-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8-
HMDB52464	TG(18:2(9Z,12Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,31-32,57H,4-8,10-11,13-17,19,22,24-26,28,30,33-56H2,1-3H3/b12-9-,21-18-,23-20-,31-27-,32-29-
HMDB37280	Junionone	CC(=O)\C=C\C1CCC1(C)C	InChI=1S/C10H16O/c1-8(11)4-5-9-6-7-10(9,2)3/h4-5,9H,6-7H2,1-3H3/b5-4+
HMDB37281	4-Methyl-2-phenyl-2-pentenal	CC(C)\C=C(/C=O)C1=CC=CC=C1	InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+
HMDB37282	2-Methyl-5-vinylpyrazine	CC1=CN=C(C=C)C=N1	InChI=1S/C7H8N2/c1-3-7-5-8-6(2)4-9-7/h3-5H,1H2,2H3
HMDB37283	Juglanin	OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@H]1O	InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15+,17-,20+/m1/s1
HMDB37284	5(1-&gt;10)-Abeo-1,12-patchoulanediol	CC1(C)C2CCC3(C)C(C2)C(CO)CCC13O	InChI=1S/C15H26O2/c1-13(2)11-5-6-14(3)12(8-11)10(9-16)4-7-15(13,14)17/h10-12,16-17H,4-9H2,1-3H3
HMDB37285	2,4-Dimethyl-5-vinylthiazole	CC1=NC(C)=C(S1)C=C	InChI=1S/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,1H2,2-3H3
HMDB37286	Citral propylene glycol acetal	CC1COC(O1)\C=C(/C)CCC=C(C)C	InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8+
HMDB37287	3-(2-Methylpropyl)pyridine	CC(C)CC1=CN=CC=C1	InChI=1S/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3
HMDB37288	4-Methyl-2-pentyl-1,3-dioxolane	CCCCCC1OCC(C)O1	InChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3
HMDB52467	TG(18:2(9Z,12Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,33-34,37,43,46,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31-32,35-36,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-30-,37-34-,46-43-
HMDB52461	TG(18:2(9Z,12Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,35,61H,4-15,17-18,20,22-23,26-27,29,31-34,36-60H2,1-3H3/b19-16-,24-21-,28-25-,35-30-
HMDB00975	Trehalose	OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
HMDB00977	3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid	COC1=CC(=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O)C(O)=O	InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+
HMDB11419	PE(P-18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,38-35-/t42-/m1/s1
HMDB11418	PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,35,38,42H,3-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB00972	N10-Formyl-THF	NC1=NC(=O)C2=C(NCC(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1	InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11?,13-/m0/s1
HMDB00973	Hydrogen phosphate	OP([O-])([O-])=O	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
HMDB11415	PE(P-18:1(11Z)/20:2(11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,35,38,42H,3-10,12,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,38-35-/t42-/m1/s1
HMDB11414	PE(P-18:1(11Z)/20:1(11Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,35,38,42H,3-13,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,38-35-/t42-/m1/s1
HMDB11417	PE(P-18:1(11Z)/20:3(8Z,11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,35,38,42H,3-10,12,15,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,38-35-/t42-/m1/s1
HMDB11416	PE(P-18:1(11Z)/20:3(5Z,8Z,11Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,35,38,42H,3-13,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB11411	PE(P-18:1(11Z)/18:3(9Z,12Z,15Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,33,36,40H,3-5,7,9-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,36-33-/t40-/m1/s1
HMDB11410	PE(P-18:1(11Z)/18:3(6Z,9Z,12Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,33,36,40H,3-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB11413	PE(P-18:1(11Z)/20:0)	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,38-35-/t42-/m1/s1
HMDB11412	PE(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,33,36,40H,3-5,7,9-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB52739	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,41-42,44-45,50-51,53-54,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-40,43,46-49,52,55-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,53-50-,54-51-
HMDB52738	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,41-42,44-45,51,54,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-40,43,46-50,52-53,55-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,54-51-
HMDB52735	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,38-39,41-42,47,50,59H,4-8,10-11,13-15,17,22,24,26,30,35-37,40,43-46,48-49,51-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,42-39-,50-47-
HMDB52734	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,38,41,47,50,59H,4-8,10-11,13-15,17,22,24,26,30,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,50-47-
HMDB52737	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-36,39-40,43,45,48-49,52,61H,4-7,9-10,12-15,18,22-23,27,31,33,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-,52-49-
HMDB52736	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-36,39-40,43,49,52,61H,4-7,9-10,12-15,18,22-23,27,31,33,37-38,41-42,44-48,50-51,53-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,52-49-
HMDB52731	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,34,36-37,42,45,51,54,63H,4-15,18,22-23,27,31-33,35,38-41,43-44,46-50,52-53,55-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,36-34-,37-30-,45-42-,54-51-
HMDB52730	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-36,39-40,43,45,48-49,52,61H,4-15,18,22-23,27,31,33,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-,52-49-
HMDB52733	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,41-42,44-45,50-51,53-54,63H,4-15,18,22-23,27,31-32,38-40,43,46-49,52,55-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,53-50-,54-51-
HMDB52732	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,41-42,44-45,51,54,63H,4-15,18,22-23,27,31-32,38-40,43,46-50,52-53,55-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,54-51-
HMDB14469	Fluorometholone	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C	InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1
HMDB14468	Tolcapone	CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O	InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
HMDB14463	Codeine	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O	InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
HMDB14462	Gefitinib	COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1	InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
HMDB14460	Zolmitriptan	CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12	InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
HMDB14467	Floxuridine	OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O	InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
HMDB14466	Amitriptyline	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12	InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
HMDB14465	Dihydroergotamine	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O	InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1
HMDB14464	Piperacillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O	InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
HMDB52083	TG(24:1(15Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,38,64H,4-16,18-19,21-24,30-37,39-63H2,1-3H3/b20-17-,28-25-,29-26-,38-27-
HMDB52082	TG(24:1(15Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36-37,39,45,48,62H,4-16,18-19,21-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,39-37-,48-45-
HMDB52081	TG(24:1(15Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36-37,39,62H,4-16,18-19,21-24,30-35,38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,39-37-
HMDB52080	TG(24:1(15Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,35,61H,4-13,15-16,18-22,24,29-34,36-60H2,1-3H3/b17-14-,26-23-,28-25-,35-27-
HMDB52087	TG(24:1(15Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34-35,40,43,60H,4-7,9-10,12-16,18-19,21-24,29-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,35-27-,43-40-
HMDB52086	TG(24:1(15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34-35,60H,4-7,9-10,12-16,18-19,21-24,29-33,36-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,35-27-
HMDB52085	TG(24:1(15Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,38,41,44,50,53,64H,4-16,18-19,21-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-
HMDB52084	TG(24:1(15Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,38,41,44,64H,4-16,18-19,21-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,38-27-,44-41-
HMDB52462	TG(18:2(9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,32,34-35,39,42,61H,4-15,17-18,20,22-23,26-27,29,31,33,36-38,40-41,43-60H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,35-30-,42-39-
HMDB52089	TG(24:1(15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36-37,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,39-37-,48-45-
HMDB52088	TG(24:1(15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36-37,39,62H,4-7,9-10,12-16,18-19,21-24,30-35,38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,39-37-
HMDB13118	Xanthurenate-8-O-beta-D-glucoside	OC[C@H]1O[C@@H](OC2=C3N=C(C=C(O)C3=CC=C2)C(O)=O)[C@@H](O)[C@@H](O)[C@H]1O	InChI=1S/C16H17NO9/c18-5-10-12(20)13(21)14(22)16(26-10)25-9-3-1-2-6-8(19)4-7(15(23)24)17-11(6)9/h1-4,10,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t10-,12+,13+,14+,16-/m1/s1
HMDB13112	UDP-N-acetyl-D-mannosamine	CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)OC1OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16?/m0/s1
HMDB13113	1-Undecanol	CCCCCCCCCCCO	InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
HMDB13111	Ubiquinol-10	COC1=C(OC)C(O)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(C)=C1O	InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
HMDB13116	Valproylglycine	CCCC(CCC)C(=O)NCC(O)=O	InChI=1S/C10H19NO3/c1-3-5-8(6-4-2)10(14)11-7-9(12)13/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13)
HMDB13117	Vitamin A2	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C=CCC1(C)C	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
HMDB13114	Undecanoyl-CoA	CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27?,31-/m1/s1
HMDB13115	Valproyl-CoA	CCCC(CCC)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C29H50N7O17P3S/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36/h15-18,21-23,27,38-39H,5-14H2,1-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,21-,22-,23?,27-/m1/s1
HMDB07748	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,26-29,32,34,43,46H,3-4,6,8-10,12,14-16,21,23,25,30-31,33,35-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1
HMDB07749	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,43,46H,3-4,6,8-10,15-16,21,23,25,30-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t43-/m0/s1
HMDB07746	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,43,46H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1
HMDB07747	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,43,46H,3-4,6,8-10,15-16,21,23,25-26,28,30-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1
HMDB07744	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30,41,44H,3-4,9-10,15-16,20,24,26,29,31-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t41-/m0/s1
HMDB07745	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,29-27-/t43-/m0/s1
HMDB07742	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27-28,30,41,44H,3-4,6,8-10,15-16,20,24,26,29,31-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t41-/m0/s1
HMDB07743	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,41,44H,3-4,9-10,15-16,20,24,26,28-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1
HMDB07740	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,41,44H,3-4,6,8-10,12,14-16,20,24,26,28-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1
HMDB07741	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,41,44H,3-4,6,8-10,15-16,20,24,26,28-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1
HMDB12447	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C46H72NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,31,33,42-43H,3-4,9-10,15-16,20,24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t42-,43+/m1/s1
HMDB12446	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C46H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,31,33,42-43H,3-4,6,8-10,15-16,20,24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t42-,43+/m1/s1
HMDB12445	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C46H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,31,33,42-43H,3-4,6,8-10,12,14-16,20,24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t42-,43+/m1/s1
HMDB12444	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,42-43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t42-,43+/m1/s1
HMDB12443	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C44H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,29,31,40-41H,3-4,6,8-10,12,15,19,22-23,26-28,30,32-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t40-,41+/m1/s1
HMDB12442	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,29,31,40-41H,3-4,6,8-10,12,14-16,19,22-23,26-28,30,32-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,18-17-,21-20-,25-24-,31-29-/t40-,41+/m1/s1
HMDB12441	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C42H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,27,29,38-39H,3-4,6,8-9,14-15,18,21,23,25-26,28,30-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t38-,39+/m1/s1
HMDB12440	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C42H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,27,29,38-39H,3-4,6,8-10,12,14-15,18,21,23,25-26,28,30-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,17-16-,20-19-,24-22-,29-27-/t38-,39+/m1/s1
HMDB54368	TG(22:2(13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,40,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-38-
HMDB54369	TG(22:2(13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-38-,49-46-
HMDB12449	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C48H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(50)56-41-44(42-57-60(54,55)58-43-45(49)48(52)53)59-47(51)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32-35,44-45H,3-4,6,8-10,15-16,21,23,25,30-31,36-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t44-,45+/m1/s1
HMDB12448	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C48H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(50)56-41-44(42-57-60(54,55)58-43-45(49)48(52)53)59-47(51)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,33,35,44-45H,3-4,6,8-10,15-16,21,23,25,30-32,34,36-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t44-,45+/m1/s1
HMDB58816	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-81(86)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)74-94-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-42,45,52,56,77-79,84H,5-20,22-24,28-29,32,34-35,39,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,40-37-,41-38-,45-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58817	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)76-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB58814	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-40,42-46,51,55,82-84,89H,5-8,10-12,14-20,22-24,29,34-36,41,47-50,52-54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,43-42-,44-38-,45-39-,46-40-,55-51-/t82?,83-,84-/m1/s1
HMDB58815	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-40,42-46,51,55,63,67,82-84,89H,5-8,10-12,14-20,22-24,29,34-36,41,47-50,52-54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,43-42-,44-38-,45-39-,46-40-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB58812	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-40,42-45,49,57,61,80-82,87H,5-20,22-24,29,34-36,41,46-48,50-56,58-60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,44-40-,49-45-,61-57-/t80?,81-,82-/m1/s1
HMDB58813	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-40,42-46,51,55,63,67,82-84,89H,5-20,22-24,29,34-36,41,47-50,52-54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,30-26-,31-27-,32-28-,37-33-,43-42-,44-38-,45-39-,46-40-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB58810	CL(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58811	CL(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58818	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-81(86)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)74-94-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-42,45,52,56,77-79,84H,5-20,22-24,29,34-35,39,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,40-37-,41-38-,45-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58819	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)76-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,29,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB12999	Maltodecaose	OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@@H]6[C@@H](O)[C@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)C(O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@H]6CO)O[C@H]5CO)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C60H102O51/c61-1-11-21(71)22(72)33(83)52(94-11)104-43-13(3-63)96-54(35(85)24(43)74)106-45-15(5-65)98-56(37(87)26(45)76)108-47-17(7-67)100-58(39(89)28(47)78)110-49-19(9-69)102-60(41(91)30(49)80)111-50-20(10-70)101-59(40(90)31(50)81)109-48-18(8-68)99-57(38(88)29(48)79)107-46-16(6-66)97-55(36(86)27(46)77)105-44-14(4-64)95-53(34(84)25(44)75)103-42-12(2-62)93-51(92)32(82)23(42)73/h11-92H,1-10H2/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33-,34+,35-,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50-,51?,52-,53+,54-,55+,56-,57+,58-,59-,60-/m0/s1
HMDB12994	Leukotriene D5	CC\C=C/C\C=C/C\C=C/C=C/C=C/[C@H](SC[C@H](N)C(=O)NCC(O)=O)[C@H](O)CCCC(O)=O	InChI=1S/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m0/s1
HMDB12996	Lipoyllysine	N[C@H](CCCCNC(=O)CCCCC1CCSS1)C(O)=O	InChI=1S/C14H26N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11-8-10-20-21-11/h11-12H,1-10,15H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1
HMDB12993	Leukotriene C5	CC\C=C/C\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O	InChI=1S/C30H45N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h3-4,6-7,9-13,16,22-25,34H,2,5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b4-3-,7-6-,10-9-,12-11+,16-13+/t22-,23+,24+,25-/m1/s1
HMDB12992	Leukoaminochrome	OC1=C(O)C=C2NCCC2=C1	InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9-11H,1-2H2
HMDB00211	Myoinositol	O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
HMDB00210	Pantothenic acid	CC(C)(CO)C(O)C(=O)NCCC(O)=O	InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)
HMDB00213	Myo-inositol 1-phosphate	O[C@H]1[C@H](O)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1
HMDB00212	N-Acetylgalactosamine	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
HMDB00215	N-Acetyl-D-glucosamine	CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@H](O)[C@H]1O	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m0/s1
HMDB00214	Ornithine	NCCC[C@H](N)C(O)=O	InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
HMDB00217	NADP	NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
HMDB00216	Norepinephrine	NC[C@H](O)C1=CC(O)=C(O)C=C1	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
HMDB00218	Orotidylic acid	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O	InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
HMDB05454	TG(18:1(9Z)/18:1(9Z)/20:1(11Z))[iso3]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25-28,30-31,56H,4-24,29,32-55H2,1-3H3/b28-25-,30-26-,31-27-/t56-/m1/s1
HMDB05455	TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3]	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,54H,4-15,17-18,20-24,31-53H2,1-3H3/b19-16-,28-25-,29-26-,30-27-/t54-/m0/s1
HMDB05456	TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-32,34,40,43,56H,4-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB05457	TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32,58H,4-24,30-31,33-57H2,1-3H3/b28-25-,29-26-,32-27-/t58-/m1/s1
HMDB05450	TG(18:1(9Z)/20:0/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,32,58H,4-24,26,29-31,33-57H2,1-3H3/b28-25-,32-27-/t58-/m1/s1
HMDB05451	TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32-33,36,42,45,58H,4-15,17-18,20-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,32-27-,36-33-,45-42-/t58-/m1/s1
HMDB05452	TG(18:1(9Z)/18:1(9Z)/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h26-27,30-31,56H,4-25,28-29,32-55H2,1-3H3/b30-26-,31-27-/t56-/m1/s1
HMDB05453	TG(18:1(9Z)/18:1(9Z)/18:1(9Z))[iso]	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
HMDB07073	DG(15:0/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,34,37H,3-16,19-33H2,1-2H3/b18-17-/t34-/m0/s1
HMDB05458	TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-33,36,42,45,58H,4-15,17-18,20-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m1/s1
HMDB05459	TG(18:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,26-27,30-31,56H,4-17,19-20,22-25,28-29,32-55H2,1-3H3/b21-18-,30-26-,31-27-/t56-/m1/s1
HMDB49317	TG(18:1(11Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-
HMDB49316	TG(18:1(11Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-
HMDB49315	TG(18:1(11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,38,41,60H,4-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,41-38-
HMDB06904	Cob(I)yrinate a,c diamide	[Co]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=NC([C@H](CC(O)=O)[C@@]5(C)CCC(O)=O)[C@@]1(C)[C@@](C)(CC(N)=O)[C@@H]2CCC(O)=O)\[C@@H](CCC(O)=O)C4(C)C)/[C@@H](CCC(O)=O)[C@]3(C)CC(N)=O	InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;/m1./s1
HMDB06903	Adenosyl cobinamide	C[C@@H](O)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co++]CC3OC(C(O)C3O)N3C=NC4=C3N=CN=C4N)\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N	InChI=1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;;/m1../s1
HMDB06902	Cobinamide	C[C@@H](O)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co++])\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N	InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1
HMDB06901	Heme A	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(O)C1=C2C=C3C(C)=C(C=C)C4=[N]3[Fe++]35N6C(=C4)C(C)=C(CCC(O)=O)C6=CC4=[N]3C(=CC(N25)=C1C)C(C=O)=C4CCC(O)=O	InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+4/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;
HMDB06900	(S)-2-Aceto-2-hydroxybutanoic acid	CC[C@](O)(C(C)=O)C(O)=O	InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
HMDB49319	TG(18:1(11Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,36,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-
HMDB49318	TG(18:1(11Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,36,39,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,39-36-
HMDB48581	TG(16:1(9Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,34,39,42,52H,4-14,17,21-22,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,42-39-
HMDB48580	TG(16:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,34,52H,4-14,17,21-22,26,29-30,32-33,35-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,34-31-
HMDB48583	TG(16:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,30,32,48H,4-6,8-9,11-14,17,21-22,26-29,31,33-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,32-30-
HMDB48582	TG(16:1(9Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,48H,4-6,8-9,11-14,17,21-22,26-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-
HMDB48585	TG(16:1(9Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,34,37,50H,4-6,8-9,11-14,17,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-,37-34-
HMDB48584	TG(16:1(9Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,50H,4-6,8-9,11-14,17,21-22,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-
HMDB48587	TG(16:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,34,39,42,52H,4-6,8-9,11-14,17,21-22,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,42-39-
HMDB48586	TG(16:1(9Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,34,52H,4-6,8-9,11-14,17,21-22,26,29-30,32-33,35-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,34-31-
HMDB49381	TG(18:1(11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,34,40,43,60H,4-7,9-10,12-16,18-19,22-23,27,29-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,34-26-,43-40-
HMDB59349	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-8,10-12,14-20,24,29-31,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB48236	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,31,33,37,40,46,49,58H,4-14,16,19,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-
HMDB57044	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB57045	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB57046	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57047	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB57040	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57041	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57042	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57043	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB46639	TG(22:0/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,37,63H,4-20,22-23,26-27,29,31-36,38-62H2,1-3H3/b24-21-,28-25-,37-30-
HMDB57048	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57049	CL(18:0/16:1(9Z)/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-32,71-73,78H,5-26,29-30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-/t72-,73-/m1/s1
HMDB46638	TG(22:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,35-36,38,44,47,61H,4-20,22-23,25,27-28,31-34,37,39-43,45-46,48-60H2,1-3H3/b24-21-,29-26-,35-30-,38-36-,47-44-
HMDB49382	TG(18:1(11Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,37,40,62H,4-7,9-10,12-16,18-19,22-23,27,30-36,38-39,41-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,40-37-
HMDB58518	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-35,37,39-42,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,36,38,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB40369	Huajiaosimuline	CC(C)C(=O)CCC1(C)OC2=C(C=C1)C(=O)N(C)C1=C2C=CC=C1	InChI=1S/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3
HMDB58514	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58512	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-38,41-46,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB41443	Mukolidine	COC1=CC=CC2=C1NC1=C2C=C(C=O)C=C1	InChI=1S/C14H11NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-8,15H,1H3
HMDB40368	Zanthosimuline	CN1C(=O)C2=C(OC(C)(CCC=C(C)C)C=C2)C2=C1C=CC=C2	InChI=1S/C20H23NO2/c1-14(2)8-7-12-20(3)13-11-16-18(23-20)15-9-5-6-10-17(15)21(4)19(16)22/h5-6,8-11,13H,7,12H2,1-4H3
HMDB41442	Hispolone	CC(=O)\C=C(/O)\C=C/C1=CC(O)=C(O)C=C1	InChI=1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2-,10-6-
HMDB46632	TG(22:0/18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,39,65H,4-20,22-23,25-29,31-38,40-64H2,1-3H3/b24-21-,39-30-
HMDB41441	11-Methylgerberinol	CC(C1=C(O)C2=C(OC1=O)C=CC=C2C)C1=C(O)C2=C(OC1=O)C=CC=C2C	InChI=1S/C22H18O6/c1-10-6-4-8-13-15(10)19(23)17(21(25)27-13)12(3)18-20(24)16-11(2)7-5-9-14(16)28-22(18)26/h4-9,12,23-24H,1-3H3
HMDB41440	Laccarin	CC1CCNC2=C(C(C)=O)C(=O)NC12	InChI=1S/C10H14N2O2/c1-5-3-4-11-9-7(6(2)13)10(14)12-8(5)9/h5,8,11H,3-4H2,1-2H3,(H,12,14)
HMDB41447	(E)-4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol	OC1=CC=C(OC\C=C/C#CC2=CC=C(O)C=C2)C=C1	InChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1-
HMDB41446	Rosmaricine	CC(C)C1=C(O)C(O)=C2C(=C1)C(N)C1OC(=O)C22CCCC(C)(C)C12	InChI=1S/C20H27NO4/c1-9(2)10-8-11-12(15(23)14(10)22)20-7-5-6-19(3,4)17(20)16(13(11)21)25-18(20)24/h8-9,13,16-17,22-23H,5-7,21H2,1-4H3
HMDB41445	Agrocybenine	CC1=C2NC(C)(C)CC2=NC(C)(C)C1=O	InChI=1S/C12H18N2O/c1-7-9-8(6-11(2,3)14-9)13-12(4,5)10(7)15/h14H,6H2,1-5H3
HMDB49385	TG(18:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,45-42-,54-51-
HMDB41444	Mukoline	COC1=CC=CC2=C1NC1=C2C=C(CO)C=C1	InChI=1S/C14H13NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-7,15-16H,8H2,1H3
HMDB51355	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35-37,39-41,44-46,48-49,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB46112	TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,31-32,39,42,57H,4-8,10-11,13-17,19,22,24-26,28,30,33-38,40-41,43-56H2,1-3H3/b12-9-,21-18-,23-20-,31-27-,32-29-,42-39-
HMDB02103	27-Hydroxycholesterol	[H][C@@]12CC[C@H]([C@H](C)CCC[C@@H](C)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB02100	Palmitoylethanolamide	CCCCCCCCCCCCCCCC(=O)NCCO	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
HMDB02107	Phthalic acid	OC(=O)C1=CC=CC=C1C(O)=O	InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
HMDB02105	Dihydrogen phosphate	OP(O)([O-])=O	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
HMDB02104	L-Glutamic-gamma-semialdehyde	N[C@@H](CCC=O)C(O)=O	InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1
HMDB02109	Hydroxysepiapterin	NC1=NC(=O)C2=C(NCC(=N2)C(=O)[C@@H](O)CO)N1	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,15-16H,1-2H2,(H4,10,11,13,14,18)/t4-/m0/s1
HMDB02108	Methylcysteine	CSC[C@H](N)C(O)=O	InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
HMDB49387	TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19-24,28,31,55H,4-18,25-27,29-30,32-54H2,1-3H3/b22-19-,23-20-,24-21-,31-28-
HMDB57956	CL(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,29-30,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57957	CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,37-38,44,46,54,58,75-77,82H,5-20,22-24,29,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB57954	CL(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,40,43,50,54,75-77,82H,5-20,22-24,29,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57955	CL(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,39-40,43,50,54,75-77,82H,5-20,22-24,27,29,31,34,37-38,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,32-28-,36-33-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57952	CL(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-32,36-37,39-40,75-77,82H,5-24,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB57953	CL(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,38,42,48,52,73-75,80H,5-20,22-24,29,34,36-37,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,42-38-,52-48-/t73?,74-,75-/m1/s1
HMDB57950	CL(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-32,36,39,74-76,81H,5-24,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB57951	CL(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-36,38-39,74-76,81H,5-24,27,31,33-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,32-28-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB57958	CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,29,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57959	CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,38-39,41,45,48,56,60,77-79,84H,5-20,22-24,27,29,31,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58113	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,41-43,47,55,59,78-80,85H,5-20,22-24,28-29,32,34-35,39-40,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB30249	Norisocorydine	COC1=CC2=C3C(CC4=C(C(O)=C(OC)C=C4)C3=C1OC)NCC2	InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3
HMDB30248	Neopine	COC1=C2OC3C(O)CC=C4C5CC(C=C1)=C2C34CCN5C	InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3
HMDB30245	Nornantenine	COC1=CC2=C3C(CC4=C(C=C5OCOC5=C4)C3=C1OC)NCC2	InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3
HMDB30244	Graveolinine	COC1=CC(=NC2=C1C=CC=C2)C1=CC=C2OCOC2=C1	InChI=1S/C17H13NO3/c1-19-16-9-14(18-13-5-3-2-4-12(13)16)11-6-7-15-17(8-11)21-10-20-15/h2-9H,10H2,1H3
HMDB30247	Oxynarcotine	CNCCC1=C(CC(=O)C2=C(C(O)=O)C(OC)=C(OC)C=C2)C(OC)=C2OCOC2=C1	InChI=1S/C22H25NO8/c1-23-8-7-12-9-17-21(31-11-30-17)19(28-3)14(12)10-15(24)13-5-6-16(27-2)20(29-4)18(13)22(25)26/h5-6,9,23H,7-8,10-11H2,1-4H3,(H,25,26)
HMDB30246	Narceine	COC1=C(OC)C(C(O)=O)=C(C=C1)C(=O)CC1=C(CCN(C)C)C=C2OCOC2=C1OC	InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)
HMDB30241	Girinimbine	CC1=CC2=C(NC3=CC=CC=C23)C2=C1OC(C)(C)C=C2	InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3
HMDB30240	Piperundecalidine	O=C(\C=C\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1	InChI=1S/C23H29NO3/c25-23(24-16-10-7-11-17-24)13-9-6-4-2-1-3-5-8-12-20-14-15-21-22(18-20)27-19-26-21/h4,6,8-9,12-15,18H,1-3,5,7,10-11,16-17,19H2/b6-4+,12-8+,13-9+
HMDB30243	Glucobrassicin	OCC1OC(S\C(CC2=CNC3=C2C=CC=C3)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12+
HMDB30242	(E)-Herclavine	COC1=CC=C(CCN(C)C(=O)\C=C\C2=CC=CC=C2)C=C1	InChI=1S/C19H21NO2/c1-20(15-14-17-8-11-18(22-2)12-9-17)19(21)13-10-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-10+
HMDB03276	Hydrogen sulfide	S	InChI=1S/H2S/h1H2
HMDB56609	CL(16:0/18:1(11Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,30,33,35-36,38,73-75,80H,5-25,27-29,31-32,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,36-33-,38-35-/t73?,74-,75-/m1/s1
HMDB56608	CL(16:0/18:1(11Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26-27,30-31,33,36,73-75,80H,5-25,28-29,32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,36-33-/t73?,74-,75-/m1/s1
HMDB58110	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,37-38,41,76-78,83H,5-24,26,30,33,35-36,39-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,32-28-,38-34-,41-37-/t76?,77-,78-/m1/s1
HMDB56601	CL(16:0/18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36,40,44,52,56,75-77,82H,5-20,22-24,28-29,32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB56600	CL(16:0/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25-27,29-31,36,39,74-76,81H,5-24,28,32-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,39-36-/t74?,75-,76-/m1/s1
HMDB56603	CL(16:0/18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB56602	CL(16:0/18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,28-29,32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56605	CL(16:0/18:1(11Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h26,30,33,35,71-73,78H,5-25,27-29,31-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,35-33-/t71?,72-,73-/m1/s1
HMDB56604	CL(16:0/18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56607	CL(16:0/18:1(11Z)/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h26,28,30,32-33,35,71-73,78H,5-25,27,29,31,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,32-28-,35-33-/t71?,72-,73-/m1/s1
HMDB56606	CL(16:0/18:1(11Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,30,33,36,73-75,80H,5-25,27-29,31-32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,36-33-/t73?,74-,75-/m1/s1
HMDB51468	TG(22:1(13Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,48,51,62H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB51469	TG(22:1(13Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,32,58H,4-7,9-10,12-16,18-19,21-24,27,29-31,33-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-
HMDB58098	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,40,42,44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB51464	TG(22:1(13Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,60H,4-16,18-19,21-24,27,30-34,36,38-59H2,1-3H3/b20-17-,28-25-,29-26-,37-35-
HMDB51465	TG(22:1(13Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,43,46,60H,4-16,18-19,21-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,46-43-
HMDB51466	TG(22:1(13Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,62H,4-15,17-18,20-24,27,30-61H2,1-3H3/b19-16-,28-25-,29-26-
HMDB51467	TG(22:1(13Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,62H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-
HMDB51460	TG(22:1(13Z)/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-
HMDB51461	TG(22:1(13Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,34,59H,4-19,21-22,24,26-27,30-33,35-58H2,1-3H3/b23-20-,28-25-,34-29-
HMDB51462	TG(22:1(13Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,32,38,41,58H,4-16,18-19,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b20-17-,28-25-,32-26-,41-38-
HMDB51463	TG(22:1(13Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,59H,4-13,15-16,18-22,24,27,29-58H2,1-3H3/b17-14-,26-23-,28-25-
HMDB51007	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-29,31,33,35-36,39,52H,4-7,9-10,12-14,16,19,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB58117	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB55558	TG(20:4(8Z,11Z,14Z,17Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-
HMDB55559	TG(20:4(8Z,11Z,14Z,17Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,49,52,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,52-49-
HMDB55554	TG(20:4(8Z,11Z,14Z,17Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,47,50,60H,4-6,9,12-15,18,21-24,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-
HMDB55555	TG(20:4(8Z,11Z,14Z,17Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,34,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-56H2,1-3H3/b10-7-,19-16-,28-25-,34-32-
HMDB55556	TG(20:4(8Z,11Z,14Z,17Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,60H,4-6,9,12-15,18,21-24,27,30-33,36,39-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-
HMDB48397	TG(14:1(9Z)/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,55H,4-14,16-17,19-23,25,27-54H2,1-3H3/b18-15-,26-24-
HMDB55550	TG(20:4(8Z,11Z,14Z,17Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-
HMDB55551	TG(20:4(8Z,11Z,14Z,17Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,58H,4-6,9,12-15,18,21-24,27,30-32,37-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-
HMDB55552	TG(20:4(8Z,11Z,14Z,17Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,41,44,58H,4-6,9,12-15,18,21-24,27,30-32,37-40,42-43,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-
HMDB55553	TG(20:4(8Z,11Z,14Z,17Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,60H,4-6,9,12-15,18,21-24,27,30,32,34,36,39-40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-
HMDB48399	TG(14:1(9Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(56)59-51-52(50-58-53(55)47-44-41-38-35-32-21-18-15-12-9-6-3)57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,26,28,52H,4-14,16-17,20-21,23-25,27,29-51H2,1-3H3/b18-15-,22-19-,28-26-
HMDB58116	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58115	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,49,53,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB41560	1,2,3,5-Benzenetetrol, 9CI, 8CI; 1,3,5-Tri-Me ether, Ac	COC1=CC(OC)=C(OC(C)=O)C(OC)=C1	InChI=1S/C11H14O5/c1-7(12)16-11-9(14-3)5-8(13-2)6-10(11)15-4/h5-6H,1-4H3
HMDB41561	D-1,5-Anhydrofructose	OCC1OCC(=O)C(O)C1O	InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2
HMDB41562	4-(Methylthio)-1-butanol	CSCCCCO	InChI=1S/C5H12OS/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
HMDB41563	Cerdlan	[I-].[I-].CCCC(CC1=CC=C(OCC[N+](C)(C)C)C=C1)C1=CC=C(OCC[N+](C)(C)C)C=C1	InChI=1S/C27H44N2O2.2HI/c1-8-9-25(24-12-16-27(17-13-24)31-21-19-29(5,6)7)22-23-10-14-26(15-11-23)30-20-18-28(2,3)4;;/h10-17,25H,8-9,18-22H2,1-7H3;2*1H/q+2;;/p-2
HMDB41564	p-Tolyl phenylacetate	CC1=CC=C(OC(=O)CC2=CC=CC=C2)C=C1	InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
HMDB41565	5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine	CC1=NC2=C(CSC2)C=N1	InChI=1S/C7H8N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2H,3-4H2,1H3
HMDB41566	2-Methyl-5-(methylthio)furan	CSC1=CC=C(C)O1	InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3
HMDB41567	Lithol Rubine	CC1=CC=C(N\N=C2/C(=O)C(=CC3=C2C=CC=C3)C(O)=O)C(=C1)S(O)(=O)=O.CC1=CC=C(\N=N\C2=C(O)C(=CC3=C2C=CC=C3)C(O)=O)C(=C1)S(O)(=O)=O	InChI=1S/2C18H14N2O6S/c2*1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26);2-9,19H,1H3,(H,22,23)(H,24,25,26)/b20-19+;20-16-
HMDB41568	2-Ethyl-5-methylpyrazine, 9CI, 8CI	CCC1=CN=C(C)C=N1	InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
HMDB41569	2-Ethyl-6-methylpyrazine	CCC1=NC(C)=CN=C1	InChI=1S/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3
HMDB58114	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-41,43-44,49,53,61,65,80-82,87H,5-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB50739	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-
HMDB50738	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-33,35,41,44,58H,4-8,10-11,13-17,19-20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-
HMDB50737	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-
HMDB50736	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,48,51,61H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB50735	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-
HMDB50734	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-
HMDB50733	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB50732	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-36,39,41,44,50,53,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-
HMDB50731	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,39-40,42-43,48,51,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-,51-48-
HMDB50730	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,39,42,48,51,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-
HMDB54609	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8,11,13-15,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB54608	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33,36,40-41,43-44,49,52,64H,4-6,8,11,13-15,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB54607	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,36,38-39,41,45,47-48,50,62H,4-7,10,13-15,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB54606	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,36,38-39,41,47,50,62H,4-7,10,13-15,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB54605	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34,36,39-40,43,45,48,60H,4-7,10,13-15,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB54604	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34,36,39,45,48,60H,4-7,10,13-15,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB54603	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-8,10-11,13-15,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB54602	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,40-41,43-44,49,52,64H,4-8,10-11,13-15,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB54601	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,40,43,49,52,64H,4-8,10-11,13-15,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB54600	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,61H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-
HMDB42143	TG(14:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,33,39,42,52H,4-15,17-18,20-23,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b19-16-,25-24-,28-27-,33-31-,42-39-
HMDB42142	TG(14:0/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,33,52H,4-15,17-18,20-23,26,29-30,32,34-51H2,1-3H3/b19-16-,25-24-,28-27-,33-31-
HMDB42141	TG(14:0/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,52H,4-15,17-18,20-23,26-51H2,1-3H3/b19-16-,25-24-
HMDB42140	TG(14:0/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,34,37,50H,4-15,17-18,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b19-16-,25-24-,29-27-,37-34-
HMDB42147	TG(14:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,34,37,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-,37-34-
HMDB42146	TG(14:0/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-
HMDB42145	TG(14:0/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,29,32,48H,4-6,8-9,11-15,17-18,20-23,26-28,30-31,33-47H2,1-3H3/b10-7-,19-16-,25-24-,32-29-
HMDB42144	TG(14:0/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,48H,4-6,8-9,11-15,17-18,20-23,26-47H2,1-3H3/b10-7-,19-16-,25-24-
HMDB48167	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,33,35,41,44,56H,4-14,16,19,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,35-33-,44-41-
HMDB48166	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,30-33,38-39,41-42,54H,4-14,16,19,21-23,28-29,34-37,40,43-53H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42149	TG(14:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,33,39,42,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-31-,42-39-
HMDB42148	TG(14:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,33,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32,34-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-31-
HMDB48163	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29,31,37,40,52H,4-14,17,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-29-,40-37-
HMDB48162	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27,29,35,38,50H,4-14,17,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,29-27-,38-35-
HMDB48161	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14-19,23-24,26-27,33,36,48H,4-13,20-22,25,28-32,34-35,37-47H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,36-33-
HMDB48160	TG(14:1(9Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,53H,4-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-
HMDB59042	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB29074	Threoninyl-Valine	CC(C)C(N)C(=O)NC(C(C)O)C(O)=O	InChI=1S/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)
HMDB29075	Threoninyl-Gamma-glutamate	CC(O)C(NC(=O)C(N)CCC(O)=N)C(O)=O	InChI=1S/C9H17N3O5/c1-4(13)7(9(16)17)12-8(15)5(10)2-3-6(11)14/h4-5,7,13H,2-3,10H2,1H3,(H2,11,14)(H,12,15)(H,16,17)
HMDB29076	Tryptophyl-Alanine	CC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)
HMDB29077	Tryptophyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C17H24N6O3/c18-12(5-3-7-21-17(19)20)15(24)23-14(16(25)26)8-10-9-22-13-6-2-1-4-11(10)13/h1-2,4,6,9,12,14,22H,3,5,7-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)
HMDB29070	Threoninyl-Serine	CC(O)C(NC(=O)C(N)CO)C(O)=O	InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)
HMDB29071	Threoninyl-Threonine	CC(O)C(N)C(=O)NC(C(C)O)C(O)=O	InChI=1S/C8H16N2O5/c1-3(11)5(9)7(13)10-6(4(2)12)8(14)15/h3-6,11-12H,9H2,1-2H3,(H,10,13)(H,14,15)
HMDB29072	Threoninyl-Tryptophan	CC(O)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C15H19N3O4/c1-8(19)13(15(21)22)18-14(20)11(16)6-9-7-17-12-5-3-2-4-10(9)12/h2-5,7-8,11,13,17,19H,6,16H2,1H3,(H,18,20)(H,21,22)
HMDB29073	Threoninyl-Tyrosine	CC(O)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C13H18N2O5/c1-7(16)11(13(19)20)15-12(18)10(14)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)
HMDB29078	Tryptophyl-Asparagine	NC(CC(N)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C15H18N4O4/c16-10(6-13(17)20)14(21)19-12(15(22)23)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)
HMDB29079	Tryptophyl-Aspartate	NC(CC(O)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C15H17N3O5/c16-10(6-13(19)20)14(21)18-12(15(22)23)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20)(H,22,23)
HMDB09469	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,45H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
HMDB09468	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,45H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,27-25-,33-31-/t45-/m1/s1
HMDB09461	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,43H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1
HMDB09460	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,43H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,25-23-,31-29-/t43-/m1/s1
HMDB09463	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,29-32,43H,3-4,6,8-10,12,14-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09462	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,43H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1
HMDB09465	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,43H,3-4,6,8-10,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09464	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29,31,43H,3-4,6,8-10,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1
HMDB09467	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,43H,3-4,9-10,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09466	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,43H,3-4,9-10,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1
HMDB01259	Succinic acid semialdehyde	OC(=O)CCC=O	InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
HMDB01252	Betaine aldehyde	C[N+](C)(C)CC=O	InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
HMDB01253	5,6-Dihydroxyindole-2-carboxylic acid	OC(=O)C1=CC2=C(N1)C=C(O)C(O)=C2	InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)
HMDB01250	N-Acetylarylamine	CC(=O)NC1=CC=CC=C1	InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
HMDB01251	Lanosterin	[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
HMDB01256	Spermine	NCCCNCCCCNCCCN	InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
HMDB01257	Spermidine	NCCCCNCCCN	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
HMDB01254	Glucosamine 6-phosphate	N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
HMDB40778	Eremopetasidione	CC1C(O)CCC2CC(=O)C(=CC12C)C(C)=O	InChI=1S/C14H20O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h7-8,10,12,16H,4-6H2,1-3H3
HMDB40779	Vinaginsenoside R14	CC(O)(CO)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C41H70O15/c1-36(2)25(46)9-11-37(3)24-14-20(44)27-19(41(7)13-10-26(56-41)40(6,51)18-43)8-12-38(27,4)39(24,5)15-22(33(36)37)53-35-32(30(49)29(48)23(16-42)54-35)55-34-31(50)28(47)21(45)17-52-34/h19-35,42-51H,8-18H2,1-7H3
HMDB40772	Isothankunic acid	CC1CCC2(CCC3(C)C(=CCC4C3(C)CC(O)C3(O)C(C)(CO)C(O)CCC43C)C2C1C)C(O)=O	InChI=1S/C30H48O6/c1-17-9-12-29(24(34)35)14-13-25(3)19(23(29)18(17)2)7-8-20-26(4)11-10-21(32)28(6,16-31)30(26,36)22(33)15-27(20,25)5/h7,17-18,20-23,31-33,36H,8-16H2,1-6H3,(H,34,35)
HMDB40773	Bismahanine	CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2C)C2=C(N1)C=C(O)C(=C2)C1=C(O)C=CC2=C1NC1=C2C=C(C)C2=C1C=CC(C)(CCC=C(C)C)O2	InChI=1S/C46H48N2O4/c1-25(2)11-9-17-45(7)19-15-30-40-34(22-28(6)43(30)51-45)32-23-35(38(50)24-36(32)47-40)39-37(49)14-13-29-33-21-27(5)44-31(41(33)48-42(29)39)16-20-46(8,52-44)18-10-12-26(3)4/h11-16,19-24,47-50H,9-10,17-18H2,1-8H3
HMDB40770	3beta-3-Lupanol	CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12	InChI=1S/C30H52O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-25,31H,9-18H2,1-8H3
HMDB40771	Betavulgaroside II	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C41H60O15/c1-35(2)14-16-40(32(47)48)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)53-31-26(44)27-28(29(54-31)30(45)46)56-41(51,33(49)50)34(55-27)52-19-25(42)43/h8,21-24,26-29,31,34,44,51H,9-19H2,1-7H3,(H,42,43)(H,45,46)(H,47,48)(H,49,50)
HMDB40776	1,1'-Bis(2-hydroxy-3-methylcarbazole)	CC1=CC2=C(NC3=C2C=CC=C3)C(=C1O)C1=C(O)C(C)=CC2=C1NC1=C2C=CC=C1	InChI=1S/C26H20N2O2/c1-13-11-17-15-7-3-5-9-19(15)27-23(17)21(25(13)29)22-24-18(12-14(2)26(22)30)16-8-4-6-10-20(16)28-24/h3-12,27-30H,1-2H3
HMDB40777	3beta-12,21-Baccharadien-3-ol	CC(C)=CCCC1(C)CCC2(C)C(C1)=CCC1C3(C)CCC(O)C(C)(C)C3CCC21C	InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h10-11,23-25,31H,9,12-20H2,1-8H3
HMDB40774	Bismurrayaquinone A	CC1=C(C(=O)C2=C(C3=C(N2)C=CC=C3)C1=O)C1=C(C)C(=O)C2=C(NC3=C2C=CC=C3)C1=O	InChI=1S/C26H16N2O4/c1-11-17(25(31)21-19(23(11)29)13-7-3-5-9-15(13)27-21)18-12(2)24(30)20-14-8-4-6-10-16(14)28-22(20)26(18)32/h3-10,27-28H,1-2H3
HMDB40775	Aegle marmelos Alkaloid C	COC(CNC(=O)\C=C/C1=CC=CC=C1)C1=CC=C(OCC=C(C)C)C=C1	InChI=1S/C23H27NO3/c1-18(2)15-16-27-21-12-10-20(11-13-21)22(26-3)17-24-23(25)14-9-19-7-5-4-6-8-19/h4-15,22H,16-17H2,1-3H3,(H,24,25)/b14-9-
HMDB59129	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63,66,70,85-87,92H,5-8,10-12,14-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,64-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,70-66-/t85?,86-,87-/m1/s1
HMDB43232	TG(15:0/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30-31,37,40,53H,4-19,21-22,24,26,28-29,32-36,38-39,41-52H2,1-3H3/b23-20-,27-25-,31-30-,40-37-
HMDB43233	TG(15:0/18:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,55H,4-19,21-22,24,26,28-54H2,1-3H3/b23-20-,27-25-
HMDB43230	TG(15:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27,51H,4-19,21-22,24,26,28-50H2,1-3H3/b23-20-,27-25-
HMDB43231	TG(15:0/18:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,53H,4-19,21-22,24,26,28-52H2,1-3H3/b23-20-,27-25-
HMDB43236	TG(15:0/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,32,35,51H,4-15,17-18,21-22,24,26,28-31,33-34,36-50H2,1-3H3/b19-16-,23-20-,27-25-,35-32-
HMDB43237	TG(15:0/18:1(11Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,52H,4-12,14-15,17-19,21,24,26-51H2,1-3H3/b16-13-,23-20-,25-22-
HMDB43234	TG(15:0/18:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,57H,4-19,21-22,24,26,28-56H2,1-3H3/b23-20-,27-25-
HMDB43235	TG(15:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,27,29,52H,4-18,21,24-26,28,30-51H2,1-3H3/b22-19-,23-20-,29-27-
HMDB43238	TG(15:0/18:1(11Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30-31,53H,4-15,17-18,21-22,24,26,28-29,32-52H2,1-3H3/b19-16-,23-20-,27-25-,31-30-
HMDB43239	TG(15:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30-31,37,40,53H,4-15,17-18,21-22,24,26,28-29,32-36,38-39,41-52H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,40-37-
HMDB47922	TG(14:1(9Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,33,52H,4-14,17,21-22,26,29-30,32,34-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,33-31-
HMDB47923	TG(14:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,33,39,42,52H,4-14,17,21-22,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,33-31-,42-39-
HMDB47920	TG(14:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27,29,34,37,50H,4-14,17,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,29-27-,37-34-
HMDB47921	TG(14:1(9Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,52H,4-14,17,21-22,26-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-
HMDB47926	TG(14:1(9Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,50H,4-6,8-9,11-14,17,21-22,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-
HMDB47927	TG(14:1(9Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,34,37,50H,4-6,8-9,11-14,17,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-,37-34-
HMDB47924	TG(14:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,48H,4-6,8-9,11-14,17,21-22,26-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-
HMDB47925	TG(14:1(9Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,29,32,48H,4-6,8-9,11-14,17,21-22,26-28,30-31,33-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,32-29-
HMDB47928	TG(14:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,33,52H,4-6,8-9,11-14,17,21-22,26,29-30,32,34-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,33-31-
HMDB47929	TG(14:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,33,39,42,52H,4-6,8-9,11-14,17,21-22,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,33-31-,42-39-
HMDB45692	TG(20:0/16:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-
HMDB45693	TG(20:0/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,31,34,39,42,56H,4-20,22-23,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b24-21-,27-25-,34-31-,42-39-
HMDB45690	TG(20:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-
HMDB45691	TG(20:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,54H,4-20,22-23,25,27-28,30-53H2,1-3H3/b24-21-,29-26-
HMDB45696	TG(20:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,30,55H,4-19,22,25-27,29,31-54H2,1-3H3/b23-20-,24-21-,30-28-
HMDB45697	TG(20:0/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,54H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-53H2,1-3H3/b20-17-,24-21-,29-26-,37-34-
HMDB45694	TG(20:0/16:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-
HMDB45695	TG(20:0/16:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-
HMDB51921	TG(24:1(15Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,34,36,58H,4-16,18-19,21-23,28-33,35,37-57H2,1-3H3/b20-17-,26-24-,27-25-,36-34-
HMDB51920	TG(24:1(15Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,57H,4-13,15-16,18-22,27-56H2,1-3H3/b17-14-,25-23-,26-24-
HMDB45698	TG(20:0/16:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,55H,4-13,15-16,18-20,22,25,27-54H2,1-3H3/b17-14-,24-21-,26-23-
HMDB45699	TG(20:0/16:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-
HMDB51925	TG(24:1(15Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,46,49,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-,49-46-
HMDB51924	TG(24:1(15Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-
HMDB51927	TG(24:1(15Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,37,39,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-36,38,40-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-,39-37-
HMDB15277	Diphenylpyraline	CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
HMDB46345	TG(22:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,43,46,60H,4-16,18-19,21-25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b20-17-,29-26-,37-35-,46-43-
HMDB46344	TG(22:0/18:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,60H,4-16,18-19,21-25,27-28,30-34,36,38-59H2,1-3H3/b20-17-,29-26-,37-35-
HMDB46347	TG(22:0/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,62H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,28-25-,34-32-,42-39-
HMDB46346	TG(22:0/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-
HMDB46341	TG(22:0/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h20,23,29,34,59H,4-19,21-22,24-28,30-33,35-58H2,1-3H3/b23-20-,34-29-
HMDB46340	TG(22:0/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-
HMDB46343	TG(22:0/18:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,59H,4-13,15-16,18-22,24-25,27-58H2,1-3H3/b17-14-,26-23-
HMDB46342	TG(22:0/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20,26,32,38,41,58H,4-16,18-19,21-25,27-31,33-37,39-40,42-57H2,1-3H3/b20-17-,32-26-,41-38-
HMDB53649	TG(20:2n6/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,36,58H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34-35,37-57H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,36-33-
HMDB46349	TG(22:0/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,32,58H,4-7,9-10,12-16,18-19,21-25,27-31,33-57H2,1-3H3/b11-8-,20-17-,32-26-
HMDB46348	TG(22:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,48,51,62H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,28-25-,34-32-,42-39-,51-48-
HMDB47698	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,10,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-
HMDB47699	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-7,10,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-
HMDB59047	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-47,49-50,52,56-58,61-62,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,48,51,53-55,59-60,63-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,50-47-,56-52-,61-57-,62-58-/t83?,84-,85-/m1/s1
HMDB58018	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1
HMDB53647	TG(20:2n6/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h9,12-13,16,18,21-22,25,27,30,56H,4-8,10-11,14-15,17,19-20,23-24,26,28-29,31-55H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,30-27-
HMDB47690	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB47691	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,37,41,47,50,56,59,68H,4-8,10-11,13-16,19,22-25,28,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-37-,50-47-,59-56-
HMDB47692	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,56,59,68H,4-8,10-11,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-
HMDB47693	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-8,10-11,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-
HMDB47694	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,37-38,43,46,52,55,64H,4-7,10,13-16,19,22-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,55-52-
HMDB47695	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,37-38,43-44,46-47,52,55,64H,4-7,10,13-16,19,22-25,28,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-
HMDB47696	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,39-40,43,45,48,54,57,66H,4-7,10,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-
HMDB47697	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,10,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB33499	Lyciumoside IV	CC1OC(OC2C(CO)OC(OC(C)(CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)COC3OC(CO)C(O)C(O)C3O)C=C)C(O)C2O)C(O)C(O)C1O	InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11-,21-15+,22-14+
HMDB33498	Isonigerone	COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(OC)=C1)C1=C(O)C2=C(OC(C)=CC2=O)C2=C1C=C(OC)C=C2OC	InChI=1S/C32H26O10/c1-13-7-20(34)28-30(36)25(18-10-16(38-4)12-22(40-6)24(18)31(28)41-13)26-17-9-15(37-3)11-21(39-5)23(17)29(35)27-19(33)8-14(2)42-32(26)27/h7-12,35-36H,1-6H3
HMDB33491	Pectenotoxin 2	CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(C)CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)O4)C1O	InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+
HMDB33490	Pectenotoxin 1	CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CO)CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)O4)C1O	InChI=1S/C47H70O15/c1-26-9-10-32-34(21-37(55-32)47(53)39(50)28(3)13-19-54-47)56-41(52)29(4)31-8-7-14-45(57-31)16-11-33(58-45)40(51)43(6)23-30(49)38(61-43)35-24-44(25-48)17-18-46(59-35,62-44)36-12-15-42(5,60-36)22-27(2)20-26/h9-10,20,27-29,31-40,48,50-51,53H,7-8,11-19,21-25H2,1-6H3/b10-9+,26-20+
HMDB33493	Desglucodesrhamnoparillin	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H64O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h18-36,40-46H,5-17H2,1-4H3
HMDB33492	Pectenotoxin 3	CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C=O)O4)C1O	InChI=1S/C47H68O15/c1-26-9-10-32-34(21-37(55-32)47(53)39(50)28(3)13-19-54-47)56-41(52)29(4)31-8-7-14-45(57-31)16-11-33(58-45)40(51)43(6)23-30(49)38(61-43)35-24-44(25-48)17-18-46(59-35,62-44)36-12-15-42(5,60-36)22-27(2)20-26/h9-10,20,25,27-29,31-40,50-51,53H,7-8,11-19,21-24H2,1-6H3/b10-9+,26-20+
HMDB33495	(3beta,4beta,5alpha)-4-Methylergosta-7,24(28)-dien-3-ol	CC(C)C(=C)CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C	InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3
HMDB33494	Tetronasin	COC(C)C1CC(C)C(O1)C(C)\C=C/C1CCC(C)C(O1)C(\CO)=C\C1CCCC(C)C1C(C)C(\[O-])=C1\C(=O)COC1=O	InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36,38H,8-10,12,14-15,17-18H2,1-7H3/p-1/b13-11-,26-16+,32-31+
HMDB33497	6-O-Demethylnigerone	COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(O)=C1)C1=C2C=C(OC)C=C(OC)C2=C(O)C2=C1OC(C)=CC2=O	InChI=1S/C31H24O10/c1-12-6-18(32)26-28(35)22-16(8-14(37-3)10-20(22)34)24(30(26)40-12)25-17-9-15(38-4)11-21(39-5)23(17)29(36)27-19(33)7-13(2)41-31(25)27/h6-11,34-36H,1-5H3
HMDB33496	Nigerone	COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(OC)=C1)C1=C2C=C(OC)C=C(OC)C2=C(O)C2=C1OC(C)=CC2=O	InChI=1S/C32H26O10/c1-13-7-19(33)27-29(35)23-17(9-15(37-3)11-21(23)39-5)25(31(27)41-13)26-18-10-16(38-4)12-22(40-6)24(18)30(36)28-20(34)8-14(2)42-32(26)28/h7-12,35-36H,1-6H3
HMDB11620	Arsenite	[O-][As]([O-])[O-]	InChI=1S/AsO3/c2-1(3)4/q-3
HMDB59045	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,43-48,50,55-56,58-60,62,81-83,88H,5-20,24,28-32,40-42,49,51-54,57,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,43-36-,47-44-,48-45-,50-46-,59-55-,60-56-,62-58-/t81?,82-,83-/m1/s1
HMDB34151	1,1-Dimethoxynonane	CCCCCCCCC(OC)OC	InChI=1S/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3
HMDB34150	Cernuine	OC1=CC(O)=C2C(=O)\C(OC2=C1)=C/C1=CC=C(O)C(O)=C1	InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4+
HMDB34153	Ethyl tetradecanoate	CCCCCCCCCCCCCC(=O)OCC	InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
HMDB34152	1-Nonen-3-ol	CCCCCCC(O)C=C	InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
HMDB34155	Thiourea	NC(N)=S	InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
HMDB34154	Methyl stearate	CCCCCCCCCCCCCCCCCC(=O)OC	InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
HMDB34157	2-Hydroxybenzaldehyde, 9CI; O-[b-D-Xylopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	OC1COC(OCC2OC(OC3=C(C=O)C=CC=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H24O11/c19-5-8-3-1-2-4-10(8)28-18-16(25)14(23)13(22)11(29-18)7-27-17-15(24)12(21)9(20)6-26-17/h1-5,9,11-18,20-25H,6-7H2
HMDB34156	Ethyl stearate	CCCCCCCCCCCCCCCCCC(=O)OCC	InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
HMDB31387	(1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide	C\C1=C\CC2C(CC3(C)OC3CC1)OC(=O)C2=C	InChI=1S/C15H20O3/c1-9-4-6-11-10(2)14(16)17-12(11)8-15(3)13(18-15)7-5-9/h4,11-13H,2,5-8H2,1,3H3/b9-4-
HMDB31386	(1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide	C\C1=C\CCC2(C)OC2CC2C(C1)OC(=O)C2=C	InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-
HMDB31385	()-Dulciol E	CC1OC2=C(C=C(O)C3=C2C(=O)C2=C(O3)C(O)=CC=C2)C1(C)C	InChI=1S/C18H16O5/c1-8-18(2,3)10-7-12(20)17-13(16(10)22-8)14(21)9-5-4-6-11(19)15(9)23-17/h4-8,19-20H,1-3H3
HMDB31384	beta-Kessyl alcohol	CC(C)C12CCC(C)(O1)C1C(O)CC(C)C1C2	InChI=1S/C15H26O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-13,16H,5-8H2,1-4H3
HMDB31383	(3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol	CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1	InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3
HMDB31382	Portuloside A	CC(=C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C16H26O7/c1-5-16(4,7-6-10(18)9(2)3)23-15-14(21)13(20)12(19)11(8-17)22-15/h5,11-15,17,19-21H,1-2,6-8H2,3-4H3
HMDB31381	Methyl 6'-apo-9'Z-lycopen-6'-oate	COC(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C	InChI=1S/C33H44O2/c1-27(2)15-11-18-30(5)21-13-23-31(6)22-12-19-28(3)16-9-10-17-29(4)20-14-24-32(7)25-26-33(34)35-8/h9-10,12-17,19-26H,11,18H2,1-8H3/b10-9+,19-12+,20-14+,23-13+,26-25+,28-16+,29-17+,30-21+,31-22+,32-24+
HMDB31380	(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide	CC(C)C12C(C(C)=CC1=O)C1=C(C2=O)C23CCCC(C)(C)C2C(OC3=O)C1O	InChI=1S/C23H28O5/c1-10(2)23-12(24)9-11(3)14(23)13-15(19(23)26)22-8-6-7-21(4,5)18(22)17(16(13)25)28-20(22)27/h9-10,14,16-18,25H,6-8H2,1-5H3
HMDB38861	beta-D-Xylopyranosyl-(1-&gt;3)-alpha-L-arabinofuranosyl-(1-&gt;3)-L-arabinose	OCC1OC(OC2C(O)COC(O)C2O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C15H26O13/c16-1-6-12(28-14-8(20)7(19)4(17)2-25-14)10(22)15(26-6)27-11-5(18)3-24-13(23)9(11)21/h4-23H,1-3H2
HMDB38860	beta-D-Xylopyranosyl-(1-&gt;5)-alpha-L-arabinofuranosyl-(1-&gt;5)-L-arabinose	OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C15H26O13/c16-4-1-24-14(11(21)7(4)17)25-3-6-9(19)12(22)15(28-6)26-2-5-8(18)10(20)13(23)27-5/h4-23H,1-3H2
HMDB38863	2-O-b-D-Galactopyranosyl-D-xylose	OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C=O.OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O	InChI=1S/3C11H20O10/c12-1-4-6(15)7(16)8(17)11(20-4)21-9-5(14)3(13)2-19-10(9)18;12-1-3-5(14)7(16)8(17)11(20-3)21-9-6(15)4(2-13)19-10(9)18;12-1-4(15)7(16)5(2-13)20-11-10(19)9(18)8(17)6(3-14)21-11/h2*3-18H,1-2H2;2,4-12,14-19H,1,3H2
HMDB38862	D-Galactopyranosyl-(1-&gt;3)-D-galactopyranosyl-(1-&gt;3)-L-arabinose	OCC1OC(OC2C(O)C(CO)OC(OC3C(O)COC(O)C3O)C2O)C(O)C(O)C1O	InChI=1S/C17H30O15/c18-1-5-7(21)9(23)10(24)16(29-5)32-14-8(22)6(2-19)30-17(12(14)26)31-13-4(20)3-28-15(27)11(13)25/h4-27H,1-3H2
HMDB38865	a-L-Arabinofuranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-D-xylose	OCC1OC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C(O)C1O	InChI=1S/C15H26O13/c16-1-5-7(18)10(21)15(26-5)28-12-4(17)2-25-14(11(12)22)27-6-3-24-13(23)9(20)8(6)19/h4-23H,1-3H2
HMDB38864	4-O-beta-D-Galactopyranosyl-D-xylose	OCC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/2C11H20O10/c12-1-3-5(13)7(15)9(17)11(20-3)21-4-2-19-10(18)8(16)6(4)14;12-1-4(15)7(16)5(2-13)20-11-10(19)9(18)8(17)6(3-14)21-11/h3-18H,1-2H2;1,4-11,13-19H,2-3H2
HMDB38867	Diospyrin	OCC1OC(OC2C(O)C3=C(OC2C2=CC(O)=C(O)C(O)=C2)C=C(O)C=C3O)C(O)C(O)C1O	InChI=1S/C21H24O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15-31H,5H2
HMDB38866	3,4',5,6,7-Pentahydroxy-3'-methoxyflavone; 7-O-b-D-Glucopyranoside	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C(O)=C2O	InChI=1S/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3
HMDB38869	Norpandamarilactonine A	CC1=CC(OC1=O)C1CCCN1	InChI=1S/C9H13NO2/c1-6-5-8(12-9(6)11)7-3-2-4-10-7/h5,7-8,10H,2-4H2,1H3
HMDB38868	(S)-3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone	CC(C)=CCC1=CC(=CC(O)=C1O)C1CC(=O)C2=C(O1)C(CC=C(C)C)=C(O)C=C2O	InChI=1S/C25H28O6/c1-13(2)5-7-15-9-16(10-21(29)24(15)30)22-12-20(28)23-19(27)11-18(26)17(25(23)31-22)8-6-14(3)4/h5-6,9-11,22,26-27,29-30H,7-8,12H2,1-4H3
HMDB33729	1,3,27-Trihydroxywitha-5,24-dienolide; (1a,3b)-form, 1-Ac, 3-O-b-D-glucopyranoside	CC(C1CCC2C3CC=C4CC(CC(OC(C)=O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC(C)=C(CO)C(=O)O1	InChI=1S/C36H54O11/c1-17-12-27(46-33(43)23(17)15-37)18(2)24-8-9-25-22-7-6-20-13-21(45-34-32(42)31(41)30(40)28(16-38)47-34)14-29(44-19(3)39)36(20,5)26(22)10-11-35(24,25)4/h6,18,21-22,24-32,34,37-38,40-42H,7-16H2,1-5H3
HMDB33728	Pubesenolide	CC(C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C)C1CC(C)=C(CO)C(=O)O1	InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3
HMDB33727	gamma-Taraxastanonol	CC1C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1(C)O	InChI=1S/C30H50O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h19-22,24,32H,9-18H2,1-8H3
HMDB33726	Cyanidin 3-O-[[4-Hydroxy-3,5-dimethoxycinnamoyl-(-&gt;2)-b-D-glucopyranosyl-(1-&gt;2)]-[4-hydroxy-3-methoxycinnamoyl-(-&gt;6)]-b-D-glucopyranoside] 5-O-(6-O-malonyl-b-D-glucopyranoside)	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC5=C(OC6OC(COC(=O)CC(O)=O)C(O)C(O)C6O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)OC(COC(=O)\C=C\C4=CC(OC)=C(O)C=C4)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O	InChI=1S/C57H60O31/c1-76-33-12-23(4-8-29(33)61)5-10-41(65)79-21-39-47(71)50(74)54(88-57-53(49(73)45(69)37(20-58)84-57)87-42(66)11-6-24-13-34(77-2)44(68)35(14-24)78-3)56(86-39)83-36-18-27-31(81-52(36)25-7-9-28(60)30(62)15-25)16-26(59)17-32(27)82-55-51(75)48(72)46(70)38(85-55)22-80-43(67)19-40(63)64/h4-18,37-39,45-51,53-58,69-75H,19-22H2,1-3H3,(H5-,59,60,61,62,63,64,65,66,68)/p+1
HMDB33725	Cyanidin 3-O-[4-Hydroxycinnamoyl-(-&gt;6)-[4-hydroxy-3,5-dimethoxycinnamoyl-(-&gt;2)-b-D-glucopyranosyl-(1-&gt;2)]-b-D-glucopyranoside] 5-O-(6-O-malonyl-b-D-glucopyranoside)	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC5=C(OC6OC(COC(=O)CC(O)=O)C(O)C(O)C6O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O	InChI=1S/C56H58O30/c1-75-33-13-24(14-34(76-2)43(33)67)6-12-41(65)85-52-48(72)44(68)36(20-57)82-56(52)86-53-49(73)46(70)38(21-77-40(64)11-5-23-3-8-26(58)9-4-23)84-55(53)81-35-18-28-31(79-51(35)25-7-10-29(60)30(61)15-25)16-27(59)17-32(28)80-54-50(74)47(71)45(69)37(83-54)22-78-42(66)19-39(62)63/h3-18,36-38,44-50,52-57,68-74H,19-22H2,1-2H3,(H5-,58,59,60,61,62,63,64,65,67)/p+1
HMDB33724	Undecylenic acid	OC(=O)CCCCCCCCC=C	InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
HMDB33723	4-(4-Hydroxyphenyl)-2-butanone	CC(=O)CCC1=CC=C(O)C=C1	InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
HMDB33722	Sativol	COC1=C(O)C2=C(C=C1)C1=C(C3=C(O1)C=C(O)C=C3)C(=O)O2	InChI=1S/C16H10O6/c1-20-10-5-4-9-14-12(16(19)22-15(9)13(10)18)8-3-2-7(17)6-11(8)21-14/h2-6,17-18H,1H3
HMDB33721	Octadecane	CCCCCCCCCCCCCCCCCC	InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
HMDB33720	6alpha-Hydroxymaackiain	OC1=CC=C2C3OC4=C(C=C5OCOC5=C4)C3(O)COC2=C1	InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2
HMDB39400	Basellasaponin B	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H68O21/c1-41(2)13-15-46(39(60)67-36-30(54)29(53)28(52)23(18-48)63-36)16-14-44(5)21(22(46)17-41)7-8-25-42(3)11-10-26(43(4,20-49)24(42)9-12-45(25,44)6)64-37-31(55)32-33(34(65-37)35(56)57)68-47(61,38(58)59)40(66-32)62-19-27(50)51/h7,20,22-26,28-34,36-37,40,48,52-55,61H,8-19H2,1-6H3,(H,50,51)(H,56,57)(H,58,59)
HMDB39401	Basellasaponin C	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C5CCC34C)C(O)=O)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H68O22/c1-41(2)13-15-46(39(61)68-35-29(53)28(52)27(51)22(18-48)64-35)16-14-43(4)20(21(46)17-41)7-8-23-42(3)11-10-25(45(6,37(57)58)24(42)9-12-44(23,43)5)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60)
HMDB39402	Basellasaponin D	CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)C(O)=O)OC1OC(C2OC(O)(C(OCC(O)=O)OC2C1O)C(O)=O)C(O)=O	InChI=1S/C47H68O22/c1-41(2)23-9-12-45(6)24(43(23,4)11-10-25(41)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50)8-7-20-21-17-42(3,37(57)58)13-15-46(21,16-14-44(20,45)5)39(61)68-35-29(53)28(52)27(51)22(18-48)64-35/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60)
HMDB39403	2-Hydroxy-4-oxo-5,12-heneicosadien-1-yl acetate	CCCCCCCC\C=C/CCCCC\C=C\C(=O)CC(O)COC(C)=O	InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h10-11,17-18,23,26H,3-9,12-16,19-20H2,1-2H3/b11-10-,18-17+
HMDB39404	3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one	OC1OC(=O)C2=C(C=CC3=CC=CC1=C23)C1=CC=C(O)C=C1	InChI=1S/C18H12O4/c19-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(21)22-17(14)20/h1-9,17,19-20H
HMDB39405	3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one	OC1OC(=O)C2=C3C(C=CC(C4=CC=C(O)C=C4)=C13)=CC=C2	InChI=1S/C18H12O4/c19-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(21)22-17(14)20/h1-9,18-19,21H
HMDB39406	Arvensoside D	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-36(58)34(56)31(53)25(20-50)62-40)37(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)
HMDB39407	3-Hydroxyhexanoic acid, 9CI, 8CI; ()-form, Me ester	CCCC(O)CC(=O)OC	InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3
HMDB39408	N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine	NC(=N)NCCCC(NC(=O)C(O)CC(O)=O)C(O)=O	InChI=1S/C10H18N4O6/c11-10(12)13-3-1-2-5(9(19)20)14-8(18)6(15)4-7(16)17/h5-6,15H,1-4H2,(H,14,18)(H,16,17)(H,19,20)(H4,11,12,13)
HMDB39409	N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid	OCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O	InChI=1S/C20H24N2O12/c23-7-11-14(27)15(28)16(29)18(33-11)34-20(8-3-1-2-4-9(8)22-19(20)32)6-12(24)21-10(17(30)31)5-13(25)26/h1-4,10-11,14-16,18,23,27-29H,5-7H2,(H,21,24)(H,22,32)(H,25,26)(H,30,31)
HMDB31655	Rhamnetin 3-laminaribioside	COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(OC2=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)26(20(17)36)45-28-23(39)25(19(35)16(8-30)43-28)44-27-22(38)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,25,27-35,37-39H,7-8H2,1H3
HMDB31654	3-Aminobutanoic acid	CC(N)CC(O)=O	InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
HMDB31657	Ferreirin	COC1=CC(O)=C(C=C1)C1COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3
HMDB31656	Jaceidin 4'-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2OC([H])([H])[H])C2=C(OC([H])([H])[H])C(=O)C3=C(O2)C([H])=C(O[H])C(OC([H])([H])[H])=C3O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C24H24O14/c1-33-11-6-8(4-5-10(11)37-24-18(30)16(28)17(29)22(38-24)23(31)32)19-21(35-3)15(27)13-12(36-19)7-9(25)20(34-2)14(13)26/h4-7,16-18,22,24-26,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,22-,24+/m0/s1
HMDB31651	N-(3-Methylbutyl)acetamide	CC(C)CCNC(C)=O	InChI=1S/C7H15NO/c1-6(2)4-5-8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)
HMDB31653	3-(Methylthio)-1-propene	CSCC=C	InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
HMDB31652	Allyl alcohol	OCC=C	InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
HMDB44273	TG(16:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,39,42,55H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,33-31-,42-39-
HMDB44272	TG(16:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,55H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,33-31-
HMDB44271	TG(16:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,34,37,53H,4-7,9-10,12-16,18,21,23-25,30-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-,37-34-
HMDB44270	TG(16:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,53H,4-7,9-10,12-16,18,21,23-25,30-52H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-
HMDB31659	3-Methyl-1-butylamine	CC(C)CCN	InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
HMDB31658	L-2-Amino-5-hydroxypentanoic acid	NC(CCCO)C(O)=O	InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)
HMDB44275	TG(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,35,38,44,47,57H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,38-35-,47-44-
HMDB44274	TG(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,35,38,57H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,38-35-
HMDB54721	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,39-40,42-43,62H,4-15,18,22-23,27,30-31,36-38,41,44-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-
HMDB15199	Cefditoren	[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1
HMDB15190	Echothiophate	CCOP(=O)(OCC)SCC[N+](C)(C)C	InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1
HMDB15191	Praziquantel	O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1	InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2
HMDB15192	Norfloxacin	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1	InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
HMDB15193	Amoxicillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O	InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
HMDB15194	Azlocillin	[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1	InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1
HMDB15195	Oxybutynin	CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1	InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
HMDB15196	Acetophenazine	CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1	InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
HMDB15197	Isoproterenol	CC(C)NCC(O)C1=CC(O)=C(O)C=C1	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
HMDB32301	trans-2-trans-4-Heptadien-1-ol	CCC=CC=CCO	InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+
HMDB36742	Eucaglobulin	CC(C)(O)C1CCC(=CC1)C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C23H30O12/c1-23(2,32)12-5-3-10(4-6-12)20(30)33-9-15-17(27)18(28)19(29)22(34-15)35-21(31)11-7-13(24)16(26)14(25)8-11/h3,7-8,12,15,17-19,22,24-29,32H,4-6,9H2,1-2H3
HMDB58759	CL(18:2(9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,50-51,53,55,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-49,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-/t82?,83-,84-/m1/s1
HMDB32308	trans-3-Heptenyl 2-methylpropanoate	CCC\C=C\CCOC(=O)C(C)C	InChI=1S/C11H20O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
HMDB32309	3-Heptyl acetate	CCCCC(CC)OC(C)=O	InChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
HMDB37716	1-Phenylethyl isobutyrate	CC(C)C(=O)OC(C)C1=CC=CC=C1	InChI=1S/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
HMDB37717	1-Phenylethyl butyrate	CCCC(=O)OC(C)C1=CC=CC=C1	InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
HMDB37714	Hexyl phenylacetate	CCCCCCOC(=O)CC1=CC=CC=C1	InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
HMDB37715	1-Phenylethyl formate	CC(OC=O)C1=CC=CC=C1	InChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3
HMDB37712	[2,2-bis(2-methylpropoxy)ethyl]benzene	CC(C)COC(CC1=CC=CC=C1)OCC(C)C	InChI=1S/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
HMDB37713	Octyl phenylacetate	CCCCCCCCOC(=O)CC1=CC=CC=C1	InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
HMDB37710	4-Methylphenyl octanoate	CCCCCCCC(=O)OC1=CC=C(C)C=C1	InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3
HMDB37711	4-Methylphenyl dodecanoate	CCCCCCCCCCCC(=O)OC1=CC=C(C)C=C1	InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
HMDB59389	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-40,45-52,57-64,70-72,74-76,91-93,98H,5-8,10,14,17-20,29-32,41-44,53-56,65-69,73,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB59388	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-40,45-52,57-64,70,72,74,76,91-93,98H,5-8,10,14,17-20,29-32,41-44,53-56,65-69,71,73,75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,76-72-/t91?,92-,93-/m1/s1
HMDB37718	2-Phenylethyl hexanoate	CCCCCC(=O)OCCC1=CC=CC=C1	InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
HMDB37719	2-Phenylethyl octanoate	CCCCCCCC(=O)OCCC1=CC=CC=C1	InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
HMDB58758	CL(18:2(9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,36-38,41-45,50-51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,29-30,35,39-40,46-49,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB08789	PC(24:1(15Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-28-17-15-13-11-9-7-2/h13,15,19-20,44H,6-12,14,16-18,21-43H2,1-5H3/b15-13-,20-19-/t44-/m1/s1
HMDB08788	PC(24:1(15Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-28-17-15-13-11-9-7-2/h19-20,44H,6-18,21-43H2,1-5H3/b20-19-/t44-/m1/s1
HMDB08787	PC(24:0/P-18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h21,23,42,45,49H,6-20,22,24-41,43-44,46-48H2,1-5H3/b23-21-,45-42-
HMDB08786	PC(24:0/P-18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h17,19,42,45,49H,6-16,18,20-41,43-44,46-48H2,1-5H3/b19-17-,45-42-
HMDB08785	PC(24:0/P-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h42,45,49H,6-41,43-44,46-48H2,1-5H3/b45-42-
HMDB08784	PC(24:0/P-16:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h40,43,47H,6-39,41-42,44-46H2,1-5H3/b43-40-
HMDB08783	PC(24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,54H,6-20,22,24-53H2,1-5H3/b23-21-/t54-/m1/s1
HMDB08782	PC(24:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C56H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h54H,6-53H2,1-5H3/t54-/m1/s1
HMDB08781	PC(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,31,35,37,41,43,52H,6-8,10,12-14,16,18-20,22,24-27,29-30,32-34,36,38-40,42,44-51H2,1-5H3/b11-9-,17-15-,23-21-,31-28-,37-35-,43-41-/t52-/m1/s1
HMDB08780	PC(24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,31,35,37,52H,6-8,10,12-14,16,18-20,22,24-27,29-30,32-34,36,38-51H2,1-5H3/b11-9-,17-15-,23-21-,31-28-,37-35-/t52-/m1/s1
HMDB14246	O-Desmethylverapamil (D-703)	COC1=C(O)C=CC(=C1)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C	InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-10-22(29)24(17-21)31-5)13-7-14-28(3)15-12-20-8-11-23(30-4)25(16-20)32-6/h8-11,16-17,19,29H,7,12-15H2,1-6H3
HMDB08255	PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,35,37,46H,6-7,12-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1
HMDB08254	PC(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,46H,6-7,12-13,18-19,23,27-28,33-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1
HMDB08257	PC(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,28,32,34,48H,6-8,10,12-14,16,18-19,23-27,29-31,33,35-47H2,1-5H3/b11-9-,17-15-,22-20-,28-21-,34-32-/t48-/m1/s1
HMDB08256	PC(18:4(6Z,9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,28,32,34,48H,6-8,10,12-14,16,18-20,22-27,29-31,33,35-47H2,1-5H3/b11-9-,17-15-,28-21-,34-32-/t48-/m1/s1
HMDB08251	PC(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,26,30,32,46H,6-8,10,12-13,18-19,23-25,27-29,31,33-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,26-21-,32-30-/t46-/m1/s1
HMDB08250	PC(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,26,30,32,46H,6-8,10,12-14,16,18-19,23-25,27-29,31,33-45H2,1-5H3/b11-9-,17-15-,22-20-,26-21-,32-30-/t46-/m1/s1
HMDB08253	PC(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29-32,35,37,46H,6-8,10,12-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1
HMDB08252	PC(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29-32,46H,6-8,10,12-13,18-19,23,27-28,33-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1
HMDB58386	CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32-38,73-75,80H,5-27,29-31,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB58387	CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-39,74-76,81H,5-24,26-27,30-31,33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB58384	CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-36,71-73,78H,5-26,29-30,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-,36-34-/t72-,73-/m1/s1
HMDB58385	CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-34,36-37,73-75,80H,5-26,29-30,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-,36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB08259	PC(18:4(6Z,9Z,12Z,15Z)/dm18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,36,39,43H,6-8,10,12-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,39-36-
HMDB08258	PC(18:4(6Z,9Z,12Z,15Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H76NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,34,37,41H,6-7,9,11-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,37-34-
HMDB58380	CL(18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,37,39-41,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58381	CL(18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,37,39-41,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB51849	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,61H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-
HMDB36449	(1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one	CC(C)=C1CC2C(CCC2(C)O)C(=C)CC1=O	InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h11,13,17H,3,5-8H2,1-2,4H3
HMDB36448	Zedoarondiol	CC(C)=C1CC2C(CCC2(C)O)C(C)(O)CC1=O	InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3
HMDB11996	Ganglioside GT1c (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h17,19,53-65,67-90,101-107,112-116,118-127H,7-16,18,20-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b19-17-/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1
HMDB11997	Ganglioside GT1c (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h21-22,53-65,67-90,101-107,112-116,118-127H,7-20,23-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/b22-21-/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1
HMDB11990	Ganglioside GT1b (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C104H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h41,43,61-73,75-98,109-115,120-125,127-135H,7-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/b43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1
HMDB11991	Ganglioside GT1b (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C104H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h21-22,41,43,61-73,75-98,109-115,120-125,127-135H,7-20,23-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/b22-21-,43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1
HMDB11992	Ganglioside GT1c (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C90H156N4O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-49(106)48(94-60(111)30-28-26-24-21-16-14-12-10-8-2)42-128-82-72(120)70(118)75(58(40-100)131-82)134-84-73(121)80(76(59(41-101)132-84)135-81-47(31-43(3)102)74(66(114)55(37-97)129-81)133-83-71(119)69(117)65(113)54(36-96)130-83)141-90(87(126)127)34-52(109)63(93-46(6)105)79(140-90)68(116)57(39-99)137-89(86(124)125)33-51(108)62(92-45(5)104)78(139-89)67(115)56(38-98)136-88(85(122)123)32-50(107)61(91-44(4)103)77(138-88)64(112)53(110)35-95/h47-59,61-84,95-101,106-110,112-121H,7-42H2,1-6H3,(H,91,103)(H,92,104)(H,93,105)(H,94,111)(H,122,123)(H,124,125)(H,126,127)/t47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69+,70-,71-,72-,73-,74-,75-,76+,77?,78?,79?,80-,81+,82-,83+,84+,88-,89-,90+/m1/s1
HMDB11993	Ganglioside GT1c (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C92H160N4O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-51(108)50(96-62(113)32-30-28-26-24-21-18-16-14-12-10-8-2)44-130-84-74(122)72(120)77(60(42-102)133-84)136-86-75(123)82(78(61(43-103)134-86)137-83-49(33-45(3)104)76(68(116)57(39-99)131-83)135-85-73(121)71(119)67(115)56(38-98)132-85)143-92(89(128)129)36-54(111)65(95-48(6)107)81(142-92)70(118)59(41-101)139-91(88(126)127)35-53(110)64(94-47(5)106)80(141-91)69(117)58(40-100)138-90(87(124)125)34-52(109)63(93-46(4)105)79(140-90)66(114)55(112)37-97/h49-61,63-86,97-103,108-112,114-123H,7-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,113)(H,124,125)(H,126,127)(H,128,129)/t49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81?,82-,83+,84-,85+,86+,90-,91-,92+/m1/s1
HMDB36441	o-Vinylanisole	COC1=C(C=C)C=CC=C1	InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3
HMDB36440	Fasciculic acid C	CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C1(C)C	InChI=1S/C38H63NO11/c1-33(2)26-11-10-23-24(15-28(43)38(8)22(13-14-37(23,38)7)21(20-40)9-12-27(42)34(3,4)48)36(26,6)16-25(41)32(33)50-31(47)18-35(5,49)17-29(44)39-19-30(45)46/h21-22,25-28,32,40-43,48-49H,9-20H2,1-8H3,(H,39,44)(H,45,46)
HMDB36443	Rotundone	CC1CC(=O)C2=C1CC(CCC2C)C(C)=C	InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3
HMDB36442	3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid	CC(CC\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3	InChI=1S/C34H52O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12,20,26-29H,10-11,13-19H2,1-9H3,(H,37,38)/b21-12-
HMDB36445	Bulnesol	CC1CCC2=C(C)CCC(CC12)C(C)(C)O	InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,14,16H,5-9H2,1-4H3
HMDB36444	alpha-Bulnesene	CC1CCC2=C(C)CCC(CC12)C(C)=C	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3
HMDB36447	Guaioxide	CC1CCC2C(C)CCC3CC12OC3(C)C	InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3
HMDB36446	beta-Kessyl ketone	CC(C)C12CCC(C)(O1)C1C(C2)C(C)CC1=O	InChI=1S/C15H24O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-11,13H,5-8H2,1-4H3
HMDB43961	TG(16:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,45,48,58H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,27-25-,32-30-,39-36-,48-45-
HMDB43966	TG(16:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-
HMDB43967	TG(16:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-,48-45-
HMDB43964	TG(16:0/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-
HMDB58757	CL(18:2(9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,47,50,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-46,48-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-47-/t79?,80-,81-/m1/s1
HMDB59384	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB43965	TG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-,43-40-
HMDB03323	Biotripyrrin-a	CC1=C(CCC(O)=O)\C(NC1=O)=C/C1=C(CCC(O)=O)C(C)=C(N1)\C=C1\NC(=O)C(C)=C1C=C	InChI=1S/C25H27N3O6/c1-5-15-13(3)24(33)27-19(15)10-18-12(2)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)25(34)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)/b19-10+,21-11+
HMDB32618	Ethyl phenylacetate	CCOC(=O)CC1=CC=CC=C1	InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
HMDB43968	TG(16:0/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB32619	1-Phenylethanol	CC(O)C1=CC=CC=C1	InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
HMDB58528	CL(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB43969	TG(16:0/22:0/16:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h54H,4-53H2,1-3H3
HMDB58756	CL(18:2(9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-42-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,45,47,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-45-/t76?,77-,78-/m1/s1
HMDB58522	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB13733	1,2,4-Trimethylbenzene	CC1=CC(C)=C(C)C=C1	InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
HMDB58520	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-38,40-44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB39649	Ganoderic acid V1	C\C(=C/CCC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(O)=O	InChI=1S/C30H42O7/c1-16(25(35)36)9-8-11-29(6,37)20-14-22(34)30(7)24-17(31)13-19-26(2,3)21(33)10-12-27(19,4)23(24)18(32)15-28(20,30)5/h9,19-21,33,37H,8,10-15H2,1-7H3,(H,35,36)/b16-9+
HMDB58526	CL(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-38,40-43,47,55,59,78-80,85H,5-20,22-24,27-29,31-32,34,39,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,40-35-,41-36-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB58527	CL(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-38,40-44,49,53,61,65,80-82,87H,5-20,22-24,27-29,31-32,34,39,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58524	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58525	CL(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-42,77-79,84H,5-24,27-28,31-34,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,40-36-,41-37-,42-38-/t78-,79-/m1/s1
HMDB34960	Edulone A	CC(COC(C)=O)C1=C(O)C2=C(C(O)=C1O)C1(C)CCC3=C(C)C(=O)OC(=C13)C2=O	InChI=1S/C22H22O8/c1-8(7-29-10(3)23)12-16(24)13-15(19(27)17(12)25)22(4)6-5-11-9(2)21(28)30-20(14(11)22)18(13)26/h8,24-25,27H,5-7H2,1-4H3
HMDB34961	beta-Elemolic acid	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O	InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)
HMDB34962	3alpha-3-Hydroxytirucalla-7,24-dien-21-oic acid	CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O	InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24-25,31H,8,10,12-18H2,1-7H3,(H,32,33)
HMDB34963	beta-Elemonic acid	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O	InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)
HMDB34964	alpha-Elemolic acid	[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](CCC=C(C)C)C(O)=O	InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
HMDB34965	1-Methyl-3-(2-thiazolyl)-1H-indole	CN1C=C(C2=NC=CS2)C2=C1C=CC=C2	InChI=1S/C12H10N2S/c1-14-8-10(12-13-6-7-15-12)9-4-2-3-5-11(9)14/h2-8H,1H3
HMDB03329	Hydroxyacetic acid uroporphyrin III	OC(CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CC(O)=O)C(O)=O	InChI=1S/C40H38N4O17/c45-32(40(60)61)7-19-23(11-39(58)59)31-15-30-21(9-37(54)55)17(2-5-34(48)49)25(42-30)12-24-16(1-4-33(46)47)20(8-36(52)53)28(41-24)13-26-18(3-6-35(50)51)22(10-38(56)57)29(43-26)14-27(19)44-31/h12-15,32,41,44-45H,1-11H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-
HMDB34968	Capillene	CC#CC#CCC1=CC=CC=C1	InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3
HMDB34969	(-)-Carvomenthone	CC(C)[C@H]1CC[C@H](C)C(=O)C1	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
HMDB32616	Sinapic acid	COC1=CC(\C=C\C(O)=O)=CC(OC)=C1O	InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
HMDB39645	Ginsenoside Rh3	CC(C)=CC\C=C(\C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10-11,22-32,37-41H,9,12-19H2,1-8H3/b21-11-
HMDB39642	Rofficerone	CC1C2C3=CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1(C)O	InChI=1S/C30H48O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h9,19,21-22,24,32H,10-18H2,1-8H3
HMDB32611	3-(4-Methoxyphenyl)-2-propenal	COC1=CC=C(\C=C\C=O)C=C1	InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+
HMDB32612	3,4-Methylenedioxybenzaldehyde	O=CC1=CC=C2OCOC2=C1	InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
HMDB39641	Ganoderic acid J	CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)
HMDB57189	CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,35,37,39-40,42,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34,36,38,41,43-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,42-35-,50-46-/t79?,80-,81-/m1/s1
HMDB56923	CL(18:0/16:0/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H154O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h73-75,80H,5-72H2,1-4H3,(H,85,86)(H,87,88)/t73?,74-,75-/m1/s1
HMDB57188	CL(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37,39-40,42,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,36,38,41,43-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,50-46-/t79?,80-,81-/m1/s1
HMDB15677	Dimercaprol	OCC(S)CS	InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
HMDB15676	Difluprednate	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C	InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1
HMDB15671	Ammonium lactate	[NH4+].CC(O)C([O-])=O	InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3
HMDB15670	Alcaftadine	[H]C(=O)C1=C([H])N=C2N1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C2=C1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3
HMDB15673	Carglumic acid	NC(=O)N[C@@H](CCC(O)=O)C(O)=O	InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1
HMDB15672	Cabazitaxel	[H][C@@](O)([C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1)C(=O)O[C@@]1([H])C[C@@]2(O)[C@@]([H])(OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@]4([H])C[C@]([H])(OC)[C@@]3(C)C(=O)[C@]([H])(OC)C(=C1C)C2(C)C)OC(C)=O	InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
HMDB15679	Niclosamide	OC1=C(C=C(Cl)C=C1)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O	InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
HMDB15678	Nepafenac	NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N	InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)
HMDB58753	CL(18:2(9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-43,47,50,58,62,79-81,86H,5-20,22-24,29,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1
HMDB37873	4-Ethyl-2-methyl-5-propyloxazole	CCCC1=C(CC)N=C(C)O1	InChI=1S/C9H15NO/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3
HMDB37872	2-Ethyl-4-methyl-5-propyloxazole	CCCC1=C(C)N=C(CC)O1	InChI=1S/C9H15NO/c1-4-6-8-7(3)10-9(5-2)11-8/h4-6H2,1-3H3
HMDB01557	Riboflavin reduced	OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C12	InChI=1S/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1
HMDB53659	TG(20:3n6/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,35,52H,4-7,9-10,12-15,18,21-23,27,30,32,34,36-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-
HMDB53658	TG(20:3n6/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,52H,4-7,9-10,12-15,18,21-23,27,30,32-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-
HMDB29339	Ceanothine B	CC(C)C1OC2=CC=C(C=C2)\C=C/NC(=O)C(CC2=CC=CC=C2)NC(=O)C1NC(=O)C1CCCN1C	InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-
HMDB29338	Mauritine A	CC(C)C(NC(=O)C(C)N(C)C)C(=O)N1CCC2OC3=CC=C(C=C3)\C=C/NC(=O)C(CC3=CC=CC=C3)NC(=O)C12	InChI=1S/C32H41N5O5/c1-20(2)27(35-29(38)21(3)36(4)5)32(41)37-18-16-26-28(37)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(42-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b17-15-
HMDB29337	Oxoglaucine	COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=CC3=C1C(=NC=C3)C2=O	InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3
HMDB37877	Eugenyl formate	COC1=CC(CC=C)=CC=C1OC=O	InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3,5-8H,1,4H2,2H3
HMDB29335	Mucronine D	CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(OC)C(=C2)\C=C/NC1=O	InChI=1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16-
HMDB29334	Nummularine B	CNC(C)C(=O)NC(C(C)C)C(=O)N1CCC2OC3=CC=C(OC)C(=C3)\C=C\NC(=O)C(CC3=CC=CC=C3)NC(=O)C12	InChI=1S/C32H41N5O6/c1-19(2)27(36-29(38)20(3)33-4)32(41)37-16-14-26-28(37)31(40)35-24(17-21-9-7-6-8-10-21)30(39)34-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18-20,24,26-28,33H,14,16-17H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/b15-13+
HMDB29333	Amphibine H	COC1=CC=C2OC3CCN(C3C(=O)NC(CC3=CC=CC=C3)C(=O)N\C=C\C1=C2)C(=O)C(NC(=O)C(C)N(C)C)C(C)C	InChI=1S/C33H43N5O6/c1-20(2)28(36-30(39)21(3)37(4)5)33(42)38-17-15-27-29(38)32(41)35-25(18-22-10-8-7-9-11-22)31(40)34-16-14-23-19-24(44-27)12-13-26(23)43-6/h7-14,16,19-21,25,27-29H,15,17-18H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)/b16-14+
HMDB29332	5-Methoxynoracronycine	COC1=CC=CC2=C1N(C)C1=C(C(O)=CC3=C1C=CC(C)(C)O3)C2=O	InChI=1S/C20H19NO4/c1-20(2)9-8-11-15(25-20)10-13(22)16-18(11)21(3)17-12(19(16)23)6-5-7-14(17)24-4/h5-10,22H,1-4H3
HMDB29331	Gravacridonetriol glucoside	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(O)(CO)COC1OC(CO)C(O)C(O)C1O)C=C2O	InChI=1S/C25H29NO11/c1-26-13-5-3-2-4-11(13)20(30)18-14(29)7-15-12(19(18)26)6-17(36-15)25(34,9-28)10-35-24-23(33)22(32)21(31)16(8-27)37-24/h2-5,7,16-17,21-24,27-29,31-34H,6,8-10H2,1H3
HMDB01550	S-Formylglutathione	N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O	InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
HMDB57182	CL(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-38,42-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,35,39-41,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB37875	2-Butyl-4,5-dimethyloxazole	CCCCC1=NC(C)=C(C)O1	InChI=1S/C9H15NO/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3
HMDB37874	5-Ethyl-4-methyl-2-(1-methylethyl)oxazole	CCC1=C(C)N=C(O1)C(C)C	InChI=1S/C9H15NO/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3
HMDB59048	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-47,49-50,52,56-58,61-62,64,68,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,48,51,53-55,59-60,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,50-47-,56-52-,61-57-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB59049	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-35,37-38,40,42-43,45,47-48,52,55,59-60,64,81-83,88H,5-20,23-24,27,29-31,36,39,41,44,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB51929	TG(24:1(15Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,34,36,41,44,58H,4-7,9-10,12-16,18-19,21-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,36-34-,44-41-
HMDB57186	CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB01203	4a-Formyl-5a-cholesta-8,24-dien-3b-ol	CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C=O)C1CC3	InChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3
HMDB00831	N-Lignoceroylsphingosine	CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+
HMDB14852	Apomorphine	[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23	InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
HMDB00833	N-Glycolylneuraminic acid	OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O	InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
HMDB00832	Capryloylglycine	CCCCCCCC(=O)NCC(O)=O	InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
HMDB51928	TG(24:1(15Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,34,36,58H,4-7,9-10,12-16,18-19,21-23,28-33,35,37-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,36-34-
HMDB00839	Pentaporphyrin I	N1C2=CC=C1\C=C1\C=CC(\C=C3\C=CC(\C=C4/N\C(\C=C4)=C/2)=N3)=N1	InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21-22H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-
HMDB14850	Flurbiprofen	CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1	InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
HMDB51366	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,38-39,42,44,47,60H,4-6,8,11,13-15,17,20,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB01202	dCMP	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
HMDB14851	Oxacillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O	InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1
HMDB14856	Adefovir Dipivoxil	CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C	InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)
HMDB51798	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,41,44,50,53,63H,4-16,18-19,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,44-41-,53-50-
HMDB14857	Azatadine	CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2	InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
HMDB51799	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-
HMDB14854	Nedocromil	CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O	InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)
HMDB14855	Norethindrone	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
HMDB51847	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,40-41,43-44,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-
HMDB00787	Sapropterin	C[C@H](O)[C@H](O)C1CNC2=C(N1)C(=O)N=C(N)N2	InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4?,6-/m0/s1
HMDB00786	Oxypurinol	O=C1NC2=C(C=NN2)C(=O)N1	InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
HMDB00785	N-Acetyl-7-O-acetylneuraminic acid	CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](OC(C)=O)[C@H](O)CO)C(O)=O	InChI=1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1
HMDB00784	Azelaic acid	OC(=O)CCCCCCCC(O)=O	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
HMDB00783	Propionylglycine	CCC(=O)NCC(O)=O	InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
HMDB00782	Octadecanedioic acid	OC(=O)CCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
HMDB00781	N-Acetylgalactosamine 4-sulphate	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O	InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1
HMDB00780	Porphinehexacarboxylic acid	CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O	InChI=1S/C38H38N4O12/c1-17-19(3-7-33(43)44)27-14-29-21(5-9-35(47)48)24(12-38(53)54)32(41-29)16-30-22(6-10-36(49)50)23(11-37(51)52)31(42-30)15-28-20(4-8-34(45)46)18(2)26(40-28)13-25(17)39-27/h13-16,40-41H,3-12H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-16-,31-15-,32-16-
HMDB11604	4,8-Dimethylnonanoyl-CoA	CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20?,21-,25-,26-,27?,31-/m1/s1
HMDB11605	4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol	[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C)[C@@H](O)CC[C@]12C	InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22?,23+,24+,25+,26+,27-,28+/m1/s1
HMDB11606	4-alpha-Methyl-5-alpha-cholest-7-en-3-one	[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,27-,28+/m1/s1
HMDB11600	3-Methyladenine	CN1C=NC(N)=C2N=CN=C12	InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
HMDB11601	3-Methylcytosine	CN1C(N)=CC=NC1=O	InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3
HMDB11602	3-Oxoalanine	NC(C=O)C(O)=O	InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)
HMDB11603	4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone	CN(CCCC(=O)C1=CC=CN=C1)N=O	InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
HMDB55718	TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,39,41,44,58H,4-6,9,12-15,18,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB55719	TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,9,12-15,18,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB55716	TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,36,39,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,39-36-
HMDB51796	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB55714	TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38-39,42,56H,4-6,9,12-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB55715	TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,9,12-14,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB55712	TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,46,49,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-,49-46-
HMDB55713	TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,37-38,40-41,54H,4-6,9,12-14,21-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB55710	TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB51797	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB38035	Panaquinquecol 1	CCCCCCCC(OC)C(O)CC#CC#CC(O)C=C	InChI=1S/C18H28O3/c1-4-6-7-8-12-15-18(21-3)17(20)14-11-9-10-13-16(19)5-2/h5,16-20H,2,4,6-8,12,14-15H2,1,3H3
HMDB40913	Gossypurpurin	CC(C)C1=C(O)C(O)=C(C=N)C2=C1C=C(C)C(=C2O)C1=C2OC3=C4C(=O)C(O)=C(C(C)C)C5=C4C(OC(N3)=C3C(=O)C(O)=C(C(C)C)C(C=C1C)=C23)=C(C(C)=C5)C1=C(O)C2=C(C=C1C)C(C(C)C)=C(O)C(O)=C2C=O	InChI=1S/C60H56N2O13/c1-19(2)33-27-13-23(9)37(49(66)41(27)31(17-61)47(64)51(33)68)39-25(11)15-29-35(21(5)6)53(70)55(72)45-43(29)57(39)74-59-46-44-30(36(22(7)8)54(71)56(46)73)16-26(12)40(58(44)75-60(45)62-59)38-24(10)14-28-34(20(3)4)52(69)48(65)32(18-63)42(28)50(38)67/h13-22,61-62,64-71H,1-12H3
HMDB57624	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-34,36-37,73-75,80H,5-26,29-30,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-,36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB49119	TG(18:1(11Z)/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,58H,4-19,21-22,24,26,28-57H2,1-3H3/b23-20-,27-25-
HMDB57626	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25,28-29,32,34-39,74-76,81H,5-24,26-27,30-31,33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB57627	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25,28,32-36,38-40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,37,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,38-34-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB57620	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57621	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27,31,33-36,71-73,78H,5-26,28-30,32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB57622	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32-34,36-37,73-75,80H,5-27,29-31,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB49118	TG(18:1(11Z)/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,56H,4-19,21-22,24,26,28-55H2,1-3H3/b23-20-,27-25-
HMDB57628	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25,28,32-36,38-41,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57629	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,28,32-36,38-41,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB52292	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,41,44,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-
HMDB52293	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,41,44,50,53,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-
HMDB52290	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,39,45,48,62H,4-8,10-11,13-16,19,22-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,48-45-
HMDB52291	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,64H,4-8,10-11,13-16,19,22-24,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-
HMDB52296	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,39,62H,4-7,10,13-16,19,22-24,30-35,38,40-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-
HMDB52297	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,39,45,48,62H,4-7,10,13-16,19,22-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,48-45-
HMDB52294	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,34-35,60H,4-7,10,13-16,19,22-24,29-33,36-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-
HMDB52295	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,34-35,40,43,60H,4-7,10,13-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-
HMDB52298	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,41,44,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-
HMDB52299	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,41,44,50,53,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,53-50-
HMDB55723	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,9,12-15,18,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB55722	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,9,12-15,18,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB55721	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-36,41-42,44-45,58H,4-6,9,12-15,18,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB55720	TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,38,41,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,41-38-
HMDB49117	TG(18:1(11Z)/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,33,38,41,54H,4-19,21-22,24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b23-20-,27-25-,33-30-,41-38-
HMDB49116	TG(18:1(11Z)/16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,54H,4-19,21-22,24,26,28-53H2,1-3H3/b23-20-,27-25-
HMDB10559	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,49-54,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB10558	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,13-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-
HMDB10557	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-
HMDB10556	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,18,21-24,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-
HMDB10555	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-41,46-47,49-50,60H,4-6,9,12-15,18,22-23,29-30,35-37,42-45,48,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-
HMDB10554	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,52,55,66H,4-6,13-15,22-24,31-33,40-42,49-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-/t66-/m0/s1
HMDB10553	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,13-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-/t64-/m0/s1
HMDB10552	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,40-45,49,52,64H,4-6,13-15,22-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB10551	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-/t64-/m0/s1
HMDB10550	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,49,52,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB54441	TG(22:2(13Z,16Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,36,62H,4-15,18,21-24,30-35,37-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-27-
HMDB54440	TG(22:2(13Z,16Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,59H,4-15,17-18,20,22-23,26-27,29-58H2,1-3H3/b19-16-,24-21-,28-25-
HMDB54443	TG(22:2(13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,36,39,42,48,51,62H,4-15,18,21-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-
HMDB54442	TG(22:2(13Z,16Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,36,39,42,62H,4-15,18,21-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,42-39-
HMDB54445	TG(22:2(13Z,16Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32-33,38,41,58H,4-7,9-10,12-15,18,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,33-27-,41-38-
HMDB54444	TG(22:2(13Z,16Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32-33,58H,4-7,9-10,12-15,18,21-24,29-31,34-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,33-27-
HMDB54447	TG(22:2(13Z,16Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34-35,37,43,46,60H,4-7,9-10,12-15,18,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB54446	TG(22:2(13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34-35,37,60H,4-7,9-10,12-15,18,21-24,30-33,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,37-35-
HMDB54449	TG(22:2(13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,18,21-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-
HMDB04207	L-a-glutamyl-L-Lysine	NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O	InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-10(17)7(13)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1
HMDB48761	TG(16:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-31,33,39,42,55H,4-6,8-9,11-15,17-18,22,26,29,32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-28-,33-31-,42-39-
HMDB48760	TG(16:1(9Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-31,33,55H,4-6,8-9,11-15,17-18,22,26,29,32,34-54H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-28-,33-31-
HMDB48763	TG(16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-32,35,38,44,47,57H,4-6,8-9,11-15,17-18,22,26,29,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,38-35-,47-44-
HMDB48762	TG(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-32,35,38,57H,4-6,8-9,11-15,17-18,22,26,29,33-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,38-35-
HMDB48765	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-21,23-26,32,35,50H,4-15,17-18,22,27-31,33-34,36-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,35-32-
HMDB48764	TG(16:1(9Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,27,29,54H,4-18,20,23,25-26,28,30-53H2,1-3H3/b22-19-,24-21-,29-27-
HMDB48767	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,34,37,52H,4-16,18-19,22-23,29-33,35-36,38-51H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,37-34-
HMDB48766	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-22,24,26,28,34,37,52H,4-16,18,23,25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,22-19-,24-21-,28-26-,37-34-
HMDB48769	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,32,36,38-39,41,54H,4-16,18-19,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB48768	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,36,39,54H,4-16,18-19,22-23,28,30-35,37-38,40-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,39-36-
HMDB56977	CL(18:0/18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB56976	CL(18:0/18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56975	CL(18:0/18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB56974	CL(18:0/18:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB56973	CL(18:0/18:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32,34,37,73-75,80H,5-27,29-31,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB56972	CL(18:0/18:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32,73-75,80H,5-25,27,29,31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-/t73?,74-,75-/m1/s1
HMDB56971	CL(18:0/18:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h27-28,31-32,71-73,78H,5-26,29-30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB56970	CL(18:0/18:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32,73-75,80H,5-27,29-31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-/t73?,74-,75-/m1/s1
HMDB56979	CL(18:0/18:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,73-75,80H,5-24,26-28,30-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-/t73?,74-,75-/m1/s1
HMDB56978	CL(18:0/18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB55308	TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB54197	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB54196	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB54195	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-45,58H,4-6,8-9,11-15,22-24,30-31,37-39,46-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB54194	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40,42-43,45,58H,4-6,8-9,11-15,22-24,30-31,37-39,41,44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,45-42-
HMDB54193	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,36,38-41,43,56H,4-7,9-10,12-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB54192	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,38,40-41,43,56H,4-7,9-10,12-15,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB54191	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB54190	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB54199	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34-37,42-43,45-46,59H,4-14,21-23,30-33,38-41,44,47-58H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-,46-43-
HMDB54198	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,34,38,40-41,43,57H,4-15,17,20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB51922	TG(24:1(15Z)/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,34,36,41,44,58H,4-16,18-19,21-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b20-17-,26-24-,27-25-,36-34-,44-41-
HMDB50638	TG(20:1(11Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34,36,42,45,59H,4-6,8-9,11-14,17,20-23,30-33,35,37-41,43-44,46-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,36-34-,45-42-
HMDB50639	TG(20:1(11Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,39,42,61H,4-6,8-9,11-14,17,20-23,30-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,42-39-
HMDB50636	TG(20:1(11Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,37,40,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32-36,38-39,41-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,40-37-
HMDB50637	TG(20:1(11Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34,36,59H,4-6,8-9,11-14,17,20-23,30-33,35,37-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,36-34-
HMDB50634	TG(20:1(11Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,39,42,48,51,61H,4-14,17,20-23,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB50635	TG(20:1(11Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-
HMDB50632	TG(20:1(11Z)/20:2n6/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,61H,4-14,17,20-23,30-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-
HMDB50633	TG(20:1(11Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,39,42,61H,4-14,17,20-23,30-31,33,35-38,40-41,43-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,42-39-
HMDB50630	TG(20:1(11Z)/20:2n6/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,34,36,59H,4-14,17,20-23,30-33,35,37-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,36-34-
HMDB50631	TG(20:1(11Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,34,36,42,45,59H,4-14,17,20-23,30-33,35,37-41,43-44,46-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,36-34-,45-42-
HMDB11389	PE(P-18:0/22:1(13Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1
HMDB11388	PE(P-18:0/22:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h37,40,44H,3-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b40-37-/t44-/m1/s1
HMDB00002	1,3-Diaminopropane	NCCCN	InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
HMDB00005	2-Ketobutyric acid	CCC(=O)C(O)=O	InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
HMDB11381	PE(P-18:0/20:1(11Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1
HMDB11380	PE(P-18:0/20:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35,38,42H,3-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b38-35-/t42-/m1/s1
HMDB11383	PE(P-18:0/20:3(5Z,8Z,11Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,35,38,42H,3-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB11382	PE(P-18:0/20:2(11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,38,42H,3-10,12,14-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,38-35-/t42-/m1/s1
HMDB11384	PE(P-18:0/20:3(8Z,11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,35,38,42H,3-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,38-35-/t42-/m1/s1
HMDB11387	PE(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB11386	PE(P-18:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,35,38,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,24-22-,38-35-/t42-/m1/s1
HMDB32034	2,4,12-Octadecatrienoic acid piperidide	CCCCC\C=C\CCCCCC\C=C/C=C/C(=O)N1CCCCC1	InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,14-15,17,20H,2-5,8-13,16,18-19,21-22H2,1H3/b7-6+,15-14-,20-17+
HMDB32035	6-(3,4-Methylenedioxyphenyl)-3,5-hexadien-2-one	CC(=O)\C=C\C=C/C1=CC2=C(OCO2)C=C1	InChI=1S/C13H12O3/c1-10(14)4-2-3-5-11-6-7-12-13(8-11)16-9-15-12/h2-8H,9H2,1H3/b4-2+,5-3-
HMDB32036	4-Ethoxyphenol	CCOC1=CC=C(O)C=C1	InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3
HMDB32037	1,3-Benzenediol	OC1=CC(O)=CC=C1	InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
HMDB32030	Guaicyl acetate	COC1=C(OC(C)=O)C=CC=C1	InChI=1S/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3
HMDB32031	N-(2,14-Eicosadienoyl)piperidine	CCCCC\C=C\CCCCCCCCCC\C=C\C(=O)N1CCCCC1	InChI=1S/C25H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h6-7,19,22H,2-5,8-18,20-21,23-24H2,1H3/b7-6+,22-19+
HMDB32032	2,4,14-Eicosatrienoic acid isobutylamide	CCCCC\C=C\CCCCCCCC\C=C/C=C/C(=O)NCC(C)C	InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,18-21,23H,4-7,10-17,22H2,1-3H3,(H,25,26)/b9-8+,19-18-,21-20+
HMDB32033	2,4,12-Octadecatrienoic acid isobutylamide	CCCCC\C=C\CCCCCC\C=C/C=C/C(=O)NCC(C)C	InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24)/b9-8+,17-16-,19-18+
HMDB52902	TG(18:3(6Z,9Z,12Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,31,37,40,57H,4-13,15-16,19-20,22,24-25,28-30,32-36,38-39,41-56H2,1-3H3/b17-14-,21-18-,26-23-,31-27-,40-37-
HMDB52903	TG(18:3(6Z,9Z,12Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,38,41,58H,4-15,17,20,22-24,26,29-31,34-35,37,39-40,42-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-,41-38-
HMDB52900	TG(18:3(6Z,9Z,12Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,55H,4-16,18-19,21-25,27-28,30-34,36-37,39-54H2,1-3H3/b20-17-,29-26-,38-35-
HMDB52901	TG(18:3(6Z,9Z,12Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,30-31,36-37,39-40,56H,4-16,19,22-25,28-29,32-35,38,41-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-,40-37-
HMDB32038	Isopropyl benzoate	CC(C)OC(=O)C1=CC=CC=C1	InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
HMDB32039	Benzoin	OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
HMDB52904	TG(18:3(6Z,9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,38,41-42,45,58H,4-15,17,20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-
HMDB52905	TG(18:3(6Z,9Z,12Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,40,43,60H,4-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,43-40-
HMDB57361	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB43463	TG(15:0/20:2n6/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,54H,4-13,15-16,18-22,24,28-53H2,1-3H3/b17-14-,26-23-,27-25-
HMDB57363	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB57362	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB57365	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,65,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-64,66-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-/t85?,86-,87-/m1/s1
HMDB57364	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB57367	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-53,57,61-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-/t87?,88-,89-/m1/s1
HMDB43462	TG(15:0/20:2n6/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25-26,28,52H,4-12,14-15,17-21,23-24,27,29-51H2,1-3H3/b16-13-,25-22-,28-26-
HMDB57369	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB57368	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,68,72,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-53,57,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB43461	TG(15:0/20:2n6/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,52H,4-12,14-15,17-19,21,24,26-51H2,1-3H3/b16-13-,23-20-,25-22-
HMDB43460	TG(15:0/20:2n6/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,50H,4-12,14-15,17-19,21,24,26-49H2,1-3H3/b16-13-,23-20-,25-22-
HMDB39056	p-Mentha-1,8-diene-6,7-diol; (4S,6R)-form, 7-O-b-D-Glucopyranoside	CC(=C)C1CC=C(COC2OC(CO)C(O)C(O)C2O)C(O)C1	InChI=1S/C16H26O7/c1-8(2)9-3-4-10(11(18)5-9)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h4,9,11-21H,1,3,5-7H2,2H3
HMDB43467	TG(15:0/20:2n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,17,19,22-23,26-27,29,53H,4-13,15-16,18,20-21,24-25,28,30-52H2,1-3H3/b17-14-,22-19-,26-23-,29-27-
HMDB43466	TG(15:0/20:2n6/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,58H,4-13,15-16,18-22,24,28-57H2,1-3H3/b17-14-,26-23-,27-25-
HMDB43465	TG(15:0/20:2n6/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,56H,4-13,15-16,18-22,24,28-55H2,1-3H3/b17-14-,26-23-,27-25-
HMDB43464	TG(15:0/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,31-32,38,41,54H,4-13,15-16,18-22,24,28-30,33-37,39-40,42-53H2,1-3H3/b17-14-,26-23-,27-25-,32-31-,41-38-
HMDB43469	TG(15:0/20:2n6/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-26,53H,4-12,15,18-21,24,27-52H2,1-3H3/b16-13-,17-14-,25-22-,26-23-
HMDB43468	TG(15:0/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16-17,20,22,25-26,28,33,36,52H,4-12,14-15,18-19,21,23-24,27,29-32,34-35,37-51H2,1-3H3/b16-13-,20-17-,25-22-,28-26-,36-33-
HMDB39053	(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol	CC1C(O)CC(CC1O)C(C)(O)CO	InChI=1S/C10H20O4/c1-6-8(12)3-7(4-9(6)13)10(2,14)5-11/h6-9,11-14H,3-5H2,1-2H3
HMDB31417	2,6-Dimethyl-4-heptanone	CC(C)CC(=O)CC(C)C	InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
HMDB31416	3,4-Dimethylheptane	CCCC(C)C(C)CC	InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3
HMDB31415	2,6-Dimethyl-2,4-heptadiene	CC(C)\C=C/C=C(C)C	InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h5-8H,1-4H3/b6-5-
HMDB31414	2,3-Dimethyl-2-cyclohexen-1-one	CC1=C(C)C(=O)CCC1	InChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-5H2,1-2H3
HMDB31413	Diethylenetriamine	NCCNCCN	InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
HMDB31412	2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid	CC(O)C(=O)NCCC(N)C(O)=O	InChI=1S/C7H14N2O4/c1-4(10)6(11)9-3-2-5(8)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)
HMDB31411	4-Acetamido-2-aminobutanoic acid	CC(=O)NCCC(N)C(O)=O	InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)
HMDB31410	3-Decen-2-one	CCCCCC\C=C/C(C)=O	InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8-
HMDB07841	DG(24:1(15Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,47,50H,3-16,21-46H2,1-2H3/b19-17-,20-18-/t47-/m0/s1
HMDB07840	DG(24:1(15Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,47,50H,3-16,18,20-46H2,1-2H3/b19-17-/t47-/m0/s1
HMDB07843	DG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,32,34,47,50H,3-11,13,15-16,21-24,26-27,29-31,33,35-46H2,1-2H3/b14-12-,19-17-,20-18-,28-25-,34-32-/t47-/m0/s1
HMDB07842	DG(24:1(15Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47,50H,3-11,13,15-16,21-46H2,1-2H3/b14-12-,19-17-,20-18-/t47-/m0/s1
HMDB07845	DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,28,32,34,47,50H,3-5,7,9-11,13,15-16,21-24,26-27,29-31,33,35-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,28-25-,34-32-/t47-/m0/s1
HMDB07844	DG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,32,34,38,40,47,50H,3-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3/b14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t47-/m0/s1
HMDB31419	N-Nitrosodimethylamine	CN(C)N=O	InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3
HMDB31418	3,3-Dimethylhexane	CCCC(C)(C)CC	InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
HMDB35567	6,8-Docosanedione	CCCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h3-20H2,1-2H3
HMDB35566	7,9-Docosanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCCCCC	InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-8-6-4-2/h3-20H2,1-2H3
HMDB35565	4,6-Tricosanedione	CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h3-21H2,1-2H3
HMDB35564	6,8-Tricosanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C23H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h3-21H2,1-2H3
HMDB35563	4,6-Tetracosanedione	CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-4-2/h3-22H2,1-2H3
HMDB35562	5,7-Tetracosanedione	CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC	InChI=1S/C24H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-6-4-2/h3-22H2,1-2H3
HMDB35561	6,8-Tetracosanedione	CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C24H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-24(26)22-23(25)20-18-6-4-2/h3-22H2,1-2H3
HMDB35560	7,9-Tetracosanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC	InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-24(26)22-23(25)20-18-8-6-4-2/h3-22H2,1-2H3
HMDB58597	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-39,42-47,52-53,56-57,64,68,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35,40-41,48-51,54-55,58-63,65-67,69-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,56-52-,57-53-,68-64-/t84?,85-,86-/m1/s1
HMDB39052	(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one	CC1=CCC(CC1=O)C(C)(O)CO	InChI=1S/C10H16O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h3,8,11,13H,4-6H2,1-2H3
HMDB35569	4,6-Docosanedione	CCCCCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-4-2/h3-20H2,1-2H3
HMDB35568	5,7-Docosanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCC	InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-6-4-2/h3-20H2,1-2H3
HMDB58596	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-39,42-47,52-53,56-57,64-65,68-69,84-86,91H,5-20,23-24,28-30,32,35,40-41,48-51,54-55,58-63,66-67,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,56-52-,57-53-,68-64-,69-65-/t84?,85-,86-/m1/s1
HMDB39051	Notoginsenoside R10	CC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C30H50O9/c1-14(32)15-7-10-29(5)21(15)16(33)11-19-28(4)9-8-20(34)27(2,3)25(28)17(12-30(19,29)6)38-26-24(37)23(36)22(35)18(13-31)39-26/h15-26,31,33-37H,7-13H2,1-6H3
HMDB02310	S-Methylmalonyl-CoA	C[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13?,16+,17+,18-,22?/m0/s1
HMDB02311	8,9-DiHETrE	CCCCC\C=C/C\C=C/CC(O)C(O)C\C=C/CCCC(O)=O	InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-
HMDB02314	11,12-DiHETrE	CCCCC\C=C/CC(O)C(O)C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-
HMDB02318	Capsianoside I	C\C(CC\C=C(/C)CC(O)\C=C(/C)C(O)=O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C32H52O14/c1-6-32(5,12-8-11-17(2)9-7-10-18(3)13-20(35)14-19(4)29(41)42)46-31-28(26(39)24(37)22(16-34)44-31)45-30-27(40)25(38)23(36)21(15-33)43-30/h6,10-11,14,20-28,30-31,33-40H,1,7-9,12-13,15-16H2,2-5H3,(H,41,42)/b17-11+,18-10+,19-14+
HMDB56106	DG(22:0/0:0/18:4n3)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,27,29,41,44H,3-5,7,9-11,13,15-17,19-22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,23-18-,29-27-
HMDB56107	DG(22:0/0:0/20:4n3)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,43,46H,3-5,7,9-11,13,15-17,19,21-24,26,28-42H2,1-2H3/b8-6-,14-12-,20-18-,27-25-
HMDB56104	DG(22:0/0:0/22:5n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,35,37,45,48H,3-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,19-17-,25-23-,31-29-,37-35-
HMDB56105	DG(22:0/0:0/18:3n3)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,41,44H,3-5,7,9-11,13,15-17,19-22,24-40H2,1-2H3/b8-6-,14-12-,23-18-
HMDB56102	DG(22:0/0:0/22:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45,48H,3-10,12,14-16,18,20-44H2,1-2H3/b13-11-,19-17-
HMDB56103	DG(22:0/0:0/22:4n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,45,48H,3-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,25-23-,31-29-
HMDB56100	DG(22:0/0:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,43,46H,3-11,13,15-17,19,21-24,26,28-42H2,1-2H3/b14-12-,20-18-,27-25-
HMDB56101	DG(22:0/0:0/20:4n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,43,46H,3-11,13,15-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b14-12-,20-18-,27-25-,33-31-
HMDB56108	DG(22:0/0:0/20:5n3)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,43,46H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-
HMDB56109	DG(22:0/0:0/22:5n3)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-
HMDB38117	6-O-Oleuropeoylsucrose	CC(C)(O)C1CCC(=CC1)C(=O)OCC1OC(OC(CO)C(O)C(O)C(=O)CO)C(O)C(O)C1O.CC(C)(O)C1CCC(=CC1)C(=O)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/2C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22;1-22(2,32)11-5-3-10(4-6-11)20(31)33-9-14-17(28)18(29)19(30)21(35-14)34-13(8-24)16(27)15(26)12(25)7-23/h3,11-18,20,23-29,31H,4-9H2,1-2H3;3,11,13-19,21,23-24,26-30,32H,4-9H2,1-2H3
HMDB48855	TG(16:1(9Z)/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,31,56H,4-15,17-18,20,22-23,28-30,32-55H2,1-3H3/b19-16-,24-21-,27-25-,31-26-
HMDB35348	Dammar-24-ene-3,6,12,17,20-pentol; (3b,6a,12b,17a,20S)-form, 20-O-[b-D-Glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside], 6-O-b-D-xylopyranoside	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OCC(O)C(O)C1O	InChI=1S/C47H80O19/c1-21(2)10-9-12-46(8,66-41-36(33(57)31(55)26(19-49)64-41)65-40-35(59)32(56)30(54)25(18-48)63-40)47(60)15-14-44(6)37(47)22(50)16-27-43(5)13-11-28(52)42(3,4)38(43)24(17-45(27,44)7)62-39-34(58)29(53)23(51)20-61-39/h10,22-41,48-60H,9,11-20H2,1-8H3
HMDB35347	Dammar-24-ene-3,6,12,17,20-pentol; (3b,6a,12b,17a,20S)-form, 20-O-[b-D-Glucopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside], 6-O-b-D-xylopyranoside	CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(O)C(C)(C)C5C(CC43C)OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C53H90O23/c1-22(2)11-10-13-52(9,76-47-41(75-46-40(67)36(63)33(60)27(19-54)73-46)37(64)34(61)28(74-47)21-70-44-39(66)35(62)31(58)23(3)71-44)53(68)16-15-50(7)42(53)24(55)17-29-49(6)14-12-30(57)48(4,5)43(49)26(18-51(29,50)8)72-45-38(65)32(59)25(56)20-69-45/h11,23-47,54-68H,10,12-21H2,1-9H3
HMDB38118	gamma-Selinene	CC(C)=C1CCC2(C)CCCC(=C)C2C1	InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3
HMDB58593	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB33819	Jaceidin	COC1=CC(=CC=C1O)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2O	InChI=1S/C18H16O8/c1-23-11-6-8(4-5-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3
HMDB33818	4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 4'-O-b-D-Glucopyranoside	OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC4=C(OCO4)C(O)=C3C2=O)C(O)C(O)C1O	InChI=1S/C22H20O11/c23-6-14-17(25)19(27)20(28)22(33-14)32-10-3-1-9(2-4-10)11-7-29-12-5-13-21(31-8-30-13)18(26)15(12)16(11)24/h1-5,7,14,17,19-20,22-23,25-28H,6,8H2
HMDB33815	Avenacoside A	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)(COC2OC(CO)C(O)C(O)C2O)O1	InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3
HMDB33814	Agavasaponin D	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C56H90O27/c1-20-8-11-56(73-18-20)21(2)34-29(83-56)13-27-25-7-6-23-12-24(9-10-54(23,4)26(25)14-33(61)55(27,34)5)75-51-43(70)39(66)45(31(16-58)77-51)79-52-44(71)40(67)46(32(17-59)78-52)80-53-48(82-49-41(68)36(63)28(60)19-72-49)47(37(64)30(15-57)76-53)81-50-42(69)38(65)35(62)22(3)74-50/h20-32,34-53,57-60,62-71H,6-19H2,1-5H3
HMDB33817	4-Hydroxy-2,3,9-trimethoxypterocarpan	COC1=CC=C2C3COC4=C(O)C(OC)=C(OC)C=C4C3OC2=C1	InChI=1S/C18H18O6/c1-20-9-4-5-10-12-8-23-17-11(16(12)24-13(10)6-9)7-14(21-2)18(22-3)15(17)19/h4-7,12,16,19H,8H2,1-3H3
HMDB33816	Mytilitol	C[C@@]1(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C7H14O6/c1-7(13)5(11)3(9)2(8)4(10)6(7)12/h2-6,8-13H,1H3/t2-,3-,4+,5+,6-,7-
HMDB33811	Agavasaponin C'	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-39(62)36(59)41(29(15-52)68-45)70-46-40(63)37(60)42(30(16-53)69-46)71-47-43(35(58)34(57)28(14-51)67-47)72-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3
HMDB33810	(4alpha,5alpha)-4,14-Dimethyl-9,19-cyclocholest-20-en-3-one	CC(C)CCCC(=C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C	InChI=1S/C29H46O/c1-19(2)8-7-9-20(3)22-12-14-27(6)25-11-10-23-21(4)24(30)13-15-28(23)18-29(25,28)17-16-26(22,27)5/h19,21-23,25H,3,7-18H2,1-2,4-6H3
HMDB33813	3-(3,4-Methylenedioxyphenyl)propenal	O=C\C=C/C1=CC2=C(OCO2)C=C1	InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1-
HMDB33812	Sesamol	OC1=CC2=C(OCO2)C=C1	InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
HMDB58592	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,41-46,51-52,55-56,63-64,67-68,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB46053	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,37,40,46,49,58H,4-15,17-18,20,22-23,26,28-29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,40-37-,49-46-
HMDB51349	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,32-34,36-38,41-43,45-46,58H,4-7,10,13-16,19,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB51348	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,32-34,36-37,42-43,45-46,58H,4-7,10,13-16,19,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB51341	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,32-34,36-38,41-43,45-46,58H,4-7,9-10,12-16,19,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB51340	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,33-35,37-38,43-44,46-47,59H,4-7,9-10,12-16,18-19,22-23,27,31-32,36,39-42,45,48-58H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-
HMDB51343	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34-39,44-45,47-48,60H,4-8,10-11,13-15,17,20,22-24,31-33,40-43,46,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB51342	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,34-35,37-38,43-44,46-47,59H,4-7,9-10,12-14,16,19,21-23,30-33,36,39-42,45,48-58H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB51345	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-15,17,20,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB51344	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34-39,43-48,60H,4-8,10-11,13-15,17,20,22-24,31-33,40-42,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB51347	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-8,10-11,13-15,17,20,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB51346	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-8,10-11,13-15,17,20,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB08017	PC(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23,25,29,31,42H,6-7,9,11-13,15,18,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,25-23-,31-29-/t42-/m1/s1
HMDB08016	PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23,25,42H,6-7,9,11-13,15,18,22,24,26-41H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,25-23-/t42-/m1/s1
HMDB08015	PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,29,31,42H,6-13,15,18,22,24,26-28,30,32-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-,31-29-/t42-/m1/s1
HMDB08014	PC(16:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,42H,6-13,15,18,22,24,26-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-/t42-/m1/s1
HMDB08013	PC(16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h17,19-21,23,25,29,31,42H,6-16,18,22,24,26-28,30,32-41H2,1-5H3/b19-17-,21-20-,25-23-,31-29-/t42-/m1/s1
HMDB08012	PC(16:1(9Z)/20:2(11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,42H,6-13,15,18,22-41H2,1-5H3/b16-14-,19-17-,21-20-/t42-/m1/s1
HMDB08011	PC(16:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h17,19-21,42H,6-16,18,22-41H2,1-5H3/b19-17-,21-20-/t42-/m1/s1
HMDB08010	PC(16:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h17,19,42H,6-16,18,20-41H2,1-5H3/b19-17-/t42-/m1/s1
HMDB55451	TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,37,39-40,42,46,49,59H,4-6,8,11,13-15,17,22,24,26,30,35-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,42-39-,49-46-
HMDB55450	TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,37,39-40,42,59H,4-6,8,11,13-15,17,22,24,26,30,35-36,38,41,43-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,42-39-
HMDB55453	TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,54H,4-6,9,12-15,22-24,31-33,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB55452	TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h9,12,18-19,21-22,27-28,30-31,36,39,56H,4-8,10-11,13-17,20,23-26,29,32-35,37-38,40-55H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,31-28-,39-36-
HMDB55455	TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-32,34,36,38-41,43,56H,4-6,9,12-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB55454	TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-32,34,36,38-39,41,56H,4-6,9,12-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-
HMDB08019	PC(16:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/b19-17-,21-20-/t44-/m1/s1
HMDB08018	PC(16:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1
HMDB39884	2-Cyclotetradecen-1-one	O=C1CCCCCCCCCCC\C=C\1	InChI=1S/C14H24O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h10,12H,1-9,11,13H2/b12-10+
HMDB39885	3-Hydroxyneogrifolin	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(C)C=C(O)C(O)=C1O	InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)14-20(23)22(25)21(19)24/h8,10,12,14,23-25H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
HMDB39886	Nigakihemiacetal B; 16-Epimer, 16-Me ether	COC1CC2C(C)=C(OC)C(=O)C3C2(C)C(CC2C(C)C=C(OC)C(=O)C32C)O1	InChI=1S/C23H32O6/c1-11-8-15(26-5)21(25)23(4)13(11)9-16-22(3)14(10-17(27-6)29-16)12(2)19(28-7)18(24)20(22)23/h8,11,13-14,16-17,20H,9-10H2,1-7H3
HMDB39887	Methyl nomilinate 17-glucoside	COC(=O)CC(OC(C)=O)C1(C)C(CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)C1=COC=C1)C21OC1C(O)=O)C(C)(C)O	InChI=1S/C35H50O16/c1-16(37)48-22(13-23(39)46-7)33(5)19-8-10-32(4,35(28(51-35)29(43)44)34(19,6)21(38)12-20(33)31(2,3)45)27(17-9-11-47-15-17)50-30-26(42)25(41)24(40)18(14-36)49-30/h9,11,15,18-20,22,24-28,30,36,40-42,45H,8,10,12-14H2,1-7H3,(H,43,44)
HMDB39880	1-Formylneogrifolin	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(C)C(C=O)=CC(O)=C1O	InChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)20(15-24)14-22(25)23(21)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
HMDB39881	Congmunoside XV	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C54H88O24/c1-49(2)14-15-54(48(69)70)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-47-43(78-45-39(67)37(65)33(61)25(19-56)72-45)42(35(63)27(21-58)74-47)77-46-40(68)41(34(62)26(20-57)73-46)76-44-38(66)36(64)32(60)24(18-55)71-44/h8,23-47,55-68H,9-21H2,1-7H3,(H,69,70)
HMDB39883	Ascorbyl palmitate	CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O	InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3
HMDB39888	3-O-a-D-Glucopyranuronosyl-L-arabinose; O4'-Me	COC1C(O)C(O)C(OC(C(O)CO)C(O)C=O)OC1C(O)=O.COC1C(O)C(O)C(OC2C(CO)OC(O)C2O)OC1C(O)=O.COC1C(O)C(O)C(OC2C(O)COC(O)C2O)OC1C(O)=O	InChI=1S/3C12H20O11/c1-20-8-4(14)5(15)12(23-9(8)10(17)18)22-7-3(13)2-21-11(19)6(7)16;1-20-8-4(14)5(15)12(23-9(8)10(17)18)22-7-3(2-13)21-11(19)6(7)16;1-21-9-6(17)7(18)12(23-10(9)11(19)20)22-8(4(15)2-13)5(16)3-14/h2*3-9,11-16,19H,2H2,1H3,(H,17,18);2,4-10,12,14-18H,3H2,1H3,(H,19,20)
HMDB39889	4-O-beta-D-Glucopyranuronosyl-L-fucose	CC(O)C(OC1OC(C(O)C(O)C1O)C(O)=O)C(O)C(O)C=O.CC1OC(O)C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O	InChI=1S/2C12H20O11/c1-2-8(5(15)6(16)11(20)21-2)22-12-7(17)3(13)4(14)9(23-12)10(18)19;1-3(14)9(5(16)4(15)2-13)22-12-8(19)6(17)7(18)10(23-12)11(20)21/h2-9,11-17,20H,1H3,(H,18,19);2-10,12,14-19H,1H3,(H,20,21)
HMDB47269	TG(24:0/20:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,68H,4-26,28-29,31-67H2,1-3H3/b30-27-
HMDB47268	TG(24:0/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h27,35,61H,4-26,28-34,36-60H2,1-3H3/b35-27-
HMDB58492	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-38,40,42-45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,27-32,39,41,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB33109	2,3-Dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylic acid; (2R*,3S*)-form, Me ester	COC(=O)C1=CC2=C(OC(C2O)C(C)=C)C=C1	InChI=1S/C13H14O4/c1-7(2)12-11(14)9-6-8(13(15)16-3)4-5-10(9)17-12/h4-6,11-12,14H,1H2,2-3H3
HMDB33108	Semilepidinoside B	COC1=CC(CC2=NC=CN2)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C17H22N2O7/c1-24-11-6-9(7-13-18-4-5-19-13)2-3-10(11)25-17-16(23)15(22)14(21)12(8-20)26-17/h2-6,12,14-17,20-23H,7-8H2,1H3,(H,18,19)
HMDB33107	Semilepidinoside A	OCC1OC(OC2=CC=C(CC3=NC=CN3)C=C2)C(O)C(O)C1O	InChI=1S/C16H20N2O6/c19-8-11-13(20)14(21)15(22)16(24-11)23-10-3-1-9(2-4-10)7-12-17-5-6-18-12/h1-6,11,13-16,19-22H,7-8H2,(H,17,18)
HMDB33106	Lysine, 9CI, INN, USAN; (S)-form, N6-D-Galacturonopyranoside	NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	InChI=1S/C12H22N2O8/c13-5(11(18)19)3-1-2-4-14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21)
HMDB33105	Lysine, 9CI, INN, USAN; (S)-form, N2-Galacturonopyranoside	NCCCCC(NC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	InChI=1S/C12H22N2O8/c13-4-2-1-3-5(11(18)19)14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21)
HMDB33104	Calamensesquiterpinenol	CC1CCC2C11CC(C)(CC1O)C(=O)C2(C)C	InChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3
HMDB33103	(R)-Higenamine	OC1=CC=C(CC2NCCC3=C2C=C(O)C(O)=C3)C=C1	InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2
HMDB33102	Dihydro-3-(2-octenyl)-2,5-furandione	CCCCC\C=C\CC1CC(=O)OC1=O	InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3/b7-6+
HMDB33101	Kaempferol 4'-glucoside 7-rhamnoside	CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(O)=C(O3)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(38-9)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(5-3-10)39-27-24(37)21(34)18(31)15(8-28)42-27/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3
HMDB33100	Atroviridin	CC1(C)OC2=C(O)C3=C(C(O)=C2C=C1)C(=O)C1=CC(O)=CC=C1O3	InChI=1S/C18H14O6/c1-18(2)6-5-9-13(20)12-14(21)10-7-8(19)3-4-11(10)23-17(12)15(22)16(9)24-18/h3-7,19-20,22H,1-2H3
HMDB47261	TG(24:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,38,41,44,50,53,64H,4-16,18-19,21-25,28,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,29-26-,36-34-,38-27-,44-41-,53-50-
HMDB47260	TG(24:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,38,41,44,64H,4-16,18-19,21-25,28,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b20-17-,29-26-,36-34-,38-27-,44-41-
HMDB47263	TG(24:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,34-35,40,43,60H,4-7,9-10,12-16,18-19,21-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,34-26-,35-27-,43-40-
HMDB58493	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-38,40,42-45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB47262	TG(24:0/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,34-35,60H,4-7,9-10,12-16,18-19,21-25,28-33,36-59H2,1-3H3/b11-8-,20-17-,34-26-,35-27-
HMDB47265	TG(24:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36-37,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,39-37-,48-45-
HMDB49039	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,46,49,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-
HMDB55730	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-
HMDB47264	TG(24:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36-37,39,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,39-37-
HMDB08909	PE(15:0/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,40H,3-10,12,14-16,19-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-/t40-/m1/s1
HMDB08908	PE(15:0/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18,40H,3-16,19-39,43H2,1-2H3,(H,46,47)/b18-17-/t40-/m1/s1
HMDB47267	TG(24:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,38,41,44,50,53,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37,39-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,38-27-,44-41-,53-50-
HMDB49037	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35,37-38,40,44,47,56H,4-6,8-9,11-15,18,22-23,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-
HMDB08901	PE(15:0/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-/t38-/m1/s1
HMDB08900	PE(15:0/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,38H,3-16,19-37,41H2,1-2H3,(H,44,45)/b18-17-/t38-/m1/s1
HMDB08903	PE(15:0/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,38H,3-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-/t38-/m1/s1
HMDB08902	PE(15:0/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,38H,3-16,19,22-24,26,28-37,41H2,1-2H3,(H,44,45)/b18-17-,21-20-,27-25-/t38-/m1/s1
HMDB08905	PE(15:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,38H,3-4,6,8-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-/t38-/m1/s1
HMDB08904	PE(15:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,25,27,38H,3-10,12,14-16,19,22-24,26,28-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-,27-25-/t38-/m1/s1
HMDB08907	PE(15:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C42H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3,(H,46,47)/t40-/m1/s1
HMDB08906	PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,25,27,38H,3-4,6,8-10,12,14-16,19,22-24,26,28-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-,27-25-/t38-/m1/s1
HMDB49035	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-,53-50-
HMDB46998	TG(22:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,40,43,49,52,63H,4-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,35-33-,43-40-,52-49-
HMDB46999	TG(22:0/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-58H2,1-3H3/b12-9-,21-18-,33-27-
HMDB46994	TG(22:0/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,61H,4-16,18-19,21-25,27-28,30-34,36-37,39-60H2,1-3H3/b20-17-,29-26-,38-35-
HMDB46995	TG(22:0/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,61H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b20-17-,29-26-,38-35-,47-44-
HMDB46996	TG(22:0/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,63H,4-15,17-18,20-24,26-27,29-62H2,1-3H3/b19-16-,28-25-
HMDB46997	TG(22:0/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,40,43,63H,4-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,28-25-,35-33-,43-40-
HMDB46990	TG(22:0/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,65H,4-24,26-27,29-64H2,1-3H3/b28-25-
HMDB46991	TG(22:0/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C62H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20,23,29,34,60H,4-19,21-22,24-28,30-33,35-59H2,1-3H3/b23-20-,34-29-
HMDB46992	TG(22:0/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,39,42,59H,4-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b21-18-,33-27-,42-39-
HMDB46993	TG(22:0/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C62H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,60H,4-13,15-16,18-22,24-25,27-59H2,1-3H3/b17-14-,26-23-
HMDB09058	PE(18:1(9Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39H,3-13,15,18,20-38,42H2,1-2H3,(H,45,46)/b16-14-,19-17-/t39-/m1/s1
HMDB09059	PE(18:1(9Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
HMDB09054	PE(18:1(9Z)/15:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h17-18,36H,3-16,19-35,39H2,1-2H3,(H,42,43)/b18-17-/t36-/m1/s1
HMDB09055	PE(18:1(9Z)/16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
HMDB09056	PE(18:1(9Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37H,3-13,15,19-36,40H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m1/s1
HMDB09057	PE(18:1(9Z)/18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39H,3-16,18,20-38,42H2,1-2H3,(H,45,46)/b19-17-/t39-/m1/s1
HMDB09050	PE(18:1(11Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36,40H,3-12,17-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,16-14-,36-33-/t40-/m1/s1
HMDB09051	PE(18:1(11Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,33,36,40H,3-13,15,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b16-14-,19-17-,36-33-/t40-/m1/s1
HMDB09052	PE(18:1(9Z)/14:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,35H,3-15,18-34,38H2,1-2H3,(H,41,42)/b17-16-/t35-/m1/s1
HMDB09053	PE(18:1(9Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,16-17,35H,3-9,11,13-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,17-16-/t35-/m1/s1
HMDB45719	TG(20:0/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,33,35,41,44,58H,4-20,22-23,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b24-21-,28-25-,35-33-,44-41-
HMDB45718	TG(20:0/18:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,58H,4-20,22-23,26-27,29-57H2,1-3H3/b24-21-,28-25-
HMDB45717	TG(20:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24,26,30,56H,4-20,22-23,25,27-29,31-55H2,1-3H3/b24-21-,30-26-
HMDB45716	TG(20:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-
HMDB45715	TG(20:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-
HMDB45714	TG(20:0/18:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-
HMDB45713	TG(20:0/18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-
HMDB45712	TG(20:0/18:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB45711	TG(20:0/18:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB45710	TG(20:0/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,55H,4-20,22-23,25-54H2,1-3H3/b24-21-
HMDB29131	Valyl-Leucine	CC(C)CC(N)C(=O)NC(C(C)C)C(O)=O	InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
HMDB29130	Valyl-Isoleucine	CCC(C)C(N)C(=O)NC(C(C)C)C(O)=O	InChI=1S/C11H22N2O3/c1-5-7(4)8(12)10(14)13-9(6(2)3)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
HMDB29133	Valyl-Methionine	CSCCC(N)C(=O)NC(C(C)C)C(O)=O	InChI=1S/C10H20N2O3S/c1-6(2)8(10(14)15)12-9(13)7(11)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
HMDB29132	Valyl-Lysine	CC(C)C(NC(=O)C(N)CCCCN)C(O)=O	InChI=1S/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)
HMDB29135	Valyl-Proline	CC(C)C(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
HMDB13438	PC(o-18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,49H,6-14,16,18-20,22,24-48H2,1-5H3/b17-15-,23-21-/t49-/m1/s1
HMDB29137	Valyl-Threonine	CC(C)C(NC(=O)C(N)C(C)O)C(O)=O	InChI=1S/C9H18N2O4/c1-4(2)7(9(14)15)11-8(13)6(10)5(3)12/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)
HMDB29136	Valyl-Serine	CC(C)C(NC(=O)C(N)CO)C(O)=O	InChI=1S/C8H16N2O4/c1-4(2)6(8(13)14)10-7(12)5(9)3-11/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)
HMDB13435	PC(o-18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,43H,6-13,18-19,24-42H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t43-/m1/s1
HMDB13434	PC(o-18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h21,23,49H,6-20,22,24-48H2,1-5H3/b23-21-/t49-/m1/s1
HMDB13437	PC(o-18:2(9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,47H,6-14,16,18-20,22,24-46H2,1-5H3/b17-15-,23-21-/t47-/m1/s1
HMDB13436	PC(o-18:2(9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,45H,6-14,16,18-20,22,24-44H2,1-5H3/b17-15-,23-21-/t45-/m1/s1
HMDB13431	PC(o-18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,45H,6-19,24-44H2,1-5H3/b22-20-,23-21-/t45-/m1/s1
HMDB13430	PC(o-18:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,45H,6-20,22,24-44H2,1-5H3/b23-21-/t45-/m1/s1
HMDB13433	PC(o-18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,47H,6-20,22,24-46H2,1-5H3/b23-21-/t47-/m1/s1
HMDB13432	PC(o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,45H,6-13,15,17-19,24,26,28-30,32,34-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-/t45-/m1/s1
HMDB55733	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-39,43-48,60H,4-6,9,12-15,18,21-24,31-33,40-42,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB58598	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-35,37-38,40,42-43,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,27,29-31,36,39,41,44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB54450	TG(22:2(13Z,16Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,33,59H,4-15,17-18,20-24,26,29-32,34-58H2,1-3H3/b19-16-,28-25-,33-27-
HMDB48859	TG(16:1(9Z)/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,62H,4-16,18-19,22-23,29-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-
HMDB54451	TG(22:2(13Z,16Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,64H,4-15,18,21-24,31-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-
HMDB44402	TG(16:0/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,32,57H,4-15,17-18,21-22,24,26,29-31,33-56H2,1-3H3/b19-16-,23-20-,27-25-,32-28-
HMDB44403	TG(16:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,37,40,56H,4-15,18,21-24,28-30,32-36,38-39,41-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,40-37-
HMDB54457	TG(22:2(13Z,16Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,39,45,48,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB54455	TG(22:2(13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,43-40-
HMDB54458	TG(22:2(13Z,16Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,41,44,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-
HMDB54459	TG(22:2(13Z,16Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,41,44,50,53,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-
HMDB37909	3,19-Dihydroxy-12-oleanen-28-oic acid; (3b,19a)-form, 3-O-a-L-Arabinopyranoside, 28-O-b-D-glucopyranosyl ester	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)28(45)22(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)27(44)21(43)19-51-33/h8,21-34,42-49H,9-19H2,1-7H3
HMDB37908	3-Hydroxy-12,18-ursadien-28-oic acid; 3b-form, 3-O-a-L-Arabinopyranoside	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2=C1C)C(O)=O	InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)
HMDB36179	2-Methyl-1,3-dithiolane	CC1SCCS1	InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
HMDB37901	4-Ethyl-2-hexyl-5-methyloxazole	CCCCCCC1=NC(CC)=C(C)O1	InChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-11(5-2)10(3)14-12/h4-9H2,1-3H3
HMDB37900	4-Methyl-2-pentyl-5-propyloxazole	CCCCCC1=NC(C)=C(CCC)O1	InChI=1S/C12H21NO/c1-4-6-7-9-12-13-10(3)11(14-12)8-5-2/h4-9H2,1-3H3
HMDB37907	2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol	CC1CCC2(O1)C(C)(C)CCCC2(C)O	InChI=1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3
HMDB37906	Hernandulcin	CC(C)=CCCC(C)(O)C1CCC(C)=CC1=O	InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3
HMDB37905	Madlongiside D	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C2(C)CC3)C(O)C(O)C1O	InChI=1S/C41H66O14/c1-19-26(46)28(48)29(49)33(53-19)54-30-27(47)24(45)17-52-34(30)55-35(51)41-12-10-36(2,3)14-21(41)20-8-9-25-37(4)15-23(44)32(50)38(5,18-42)31(37)22(43)16-40(25,7)39(20,6)11-13-41/h8,19,21-34,42-50H,9-18H2,1-7H3
HMDB29299	Sesamolinol 4'-O-b-D-glucosyl (1-&gt;6)-O-b-D-glucoside	[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(OC3=C([H])C([H])=C(O[C@@]4([H])OC([H])([H])[C@]5([H])[C@]([H])(OC([H])([H])[C@]45[H])C4=C([H])C([H])=C5OC([H])([H])OC5=C4[H])C([H])=C3OC([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C32H40O17/c1-40-19-7-14(46-30-16-10-41-29(15(16)9-42-30)13-2-4-17-20(6-13)45-12-44-17)3-5-18(19)47-32-28(39)26(37)24(35)22(49-32)11-43-31-27(38)25(36)23(34)21(8-33)48-31/h2-7,15-16,21-39H,8-12H2,1H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
HMDB56968	CL(18:0/18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56969	CL(18:0/18:0/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h27,31,71-73,78H,5-26,28-30,32-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-/t71?,72-,73-/m1/s1
HMDB36175	(Cyclohexylmethyl)pyrazine	C(C1CCCCC1)C1=CN=CC=N1	InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2
HMDB29295	Caffeoyl tyrosine	[H]OC(=O)C([H])(N([H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]	InChI=1S/C18H17NO6/c20-13-5-1-11(2-6-13)9-14(18(24)25)19-17(23)8-4-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)/b8-4+
HMDB58944	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-9,11-13,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB36177	3,5,5-Trimethyl-1,2-cyclohexanedione	CC1CC(C)(C)CC(=O)C1=O.CC1=C(O)C(=O)CC(C)(C)C1	InChI=1S/2C9H14O2/c2*1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3;6H,4-5H2,1-3H3
HMDB43005	TG(15:0/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-30-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h13,16,22,25,49H,4-12,14-15,17-21,23-24,26-48H2,1-3H3/b16-13-,25-22-
HMDB43004	TG(15:0/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,25-26,30,32,48H,4-15,17-18,20-24,27-29,31,33-47H2,1-3H3/b19-16-,26-25-,32-30-
HMDB43007	TG(15:0/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,50H,4-15,17-18,20-24,27,30-33,35-36,38-49H2,1-3H3/b19-16-,26-25-,29-28-,37-34-
HMDB36176	3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one	CCC1C(C)CC(=O)C1=O.CCC1=C(O)C(=O)CC1C	InChI=1S/2C8H12O2/c2*1-3-6-5(2)4-7(9)8(6)10/h5,10H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
HMDB43001	TG(15:0/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h25-26,52H,4-24,27-51H2,1-3H3/b26-25-
HMDB43000	TG(15:0/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,50H,4-24,27,30-33,35-36,38-49H2,1-3H3/b26-25-,29-28-,37-34-
HMDB43003	TG(15:0/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-30-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h19,22,26-27,49H,4-18,20-21,23-25,28-48H2,1-3H3/b22-19-,27-26-
HMDB43002	TG(15:0/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-35-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-
HMDB36171	3-(4-Isopropylphenyl)propanal	CC(C)C1=CC=C(CCC=O)C=C1	InChI=1S/C12H16O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5-10H,3-4H2,1-2H3
HMDB43009	TG(15:0/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,34,52H,4-15,17-18,20-24,27,30,32-33,35-51H2,1-3H3/b19-16-,26-25-,29-28-,34-31-
HMDB43008	TG(15:0/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,25-26,52H,4-15,17-18,20-24,27-51H2,1-3H3/b19-16-,26-25-
HMDB29291	3,4-Dicaffeoyl-1,5-quinolactone	[H]OC1=C(O[H])C([H])=C(\C([H])=C(/[H])C(=O)O[C@]2([H])C([H])([H])[C@@]3(O[H])C(=O)O[C@]([H])(C3([H])[H])[C@]2([H])OC(=O)C(\[H])=C(/[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C([H])=C1[H]	InChI=1S/C25H22O11/c26-15-5-1-13(9-17(15)28)3-7-21(30)34-19-11-25(33)12-20(35-24(25)32)23(19)36-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,33H,11-12H2/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
HMDB47715	TG(24:0/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,65H,4-16,18-19,21-25,27-28,30-64H2,1-3H3/b20-17-,29-26-
HMDB47714	TG(24:0/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,46,49,63H,4-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b20-17-,29-26-,40-37-,49-46-
HMDB47717	TG(24:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,42,45,51,54,65H,4-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,29-26-,37-35-,45-42-,54-51-
HMDB47716	TG(24:0/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C67H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,42,45,65H,4-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-64H2,1-3H3/b20-17-,29-26-,37-35-,45-42-
HMDB47711	TG(24:0/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,41,44,61H,4-17,19-20,22-26,28-34,36-40,42-43,45-60H2,1-3H3/b21-18-,35-27-,44-41-
HMDB29292	3-p-Coumaroyl-1,5-quinolactone	[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)O[C@]2([H])C([H])([H])[C@@]3(O[H])C(=O)O[C@]([H])(C3([H])[H])[C@]2([H])O[H])C([H])=C1[H]	InChI=1S/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(18)22-11-7-16(21)8-12(14(11)19)23-15(16)20/h1-6,11-12,14,17,19,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1
HMDB47713	TG(24:0/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,63H,4-16,18-19,21-25,27-28,30-36,38-39,41-62H2,1-3H3/b20-17-,29-26-,40-37-
HMDB47712	TG(24:0/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C64H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-40-43-46-49-52-55-58-64(66)69-61-62(67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)60-68-63(65)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,62H,4-13,15-16,18-22,24-25,27-61H2,1-3H3/b17-14-,26-23-
HMDB36172	4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol	CC(O)CCC1=C(C)CCCC1(C)C	InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3
HMDB47719	TG(24:0/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,41,44,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,35-27-,44-41-
HMDB47718	TG(24:0/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-60H2,1-3H3/b12-9-,21-18-,35-27-
HMDB56963	CL(18:0/18:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h35,39,75-77,82H,5-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b39-35-/t75?,76-,77-/m1/s1
HMDB56965	CL(18:0/18:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,37,42,46,54,58,77-79,84H,5-20,22-24,26-32,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB30569	Swertiajaponin	COC1=CC2=C(C(=O)C=C(O2)C2=CC(O)=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O	InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3
HMDB56268	DG(24:1n9/0:0/18:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C46H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,26,44,47H,3-13,15,18,21-25,27-43H2,1-2H3/b16-14-,19-17-,26-20-
HMDB34767	(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid	OC(=O)C1CC2=C(NC3=C2C=CC=C3)C(N1)C1CCNC1=S	InChI=1S/C16H17N3O2S/c20-16(21)12-7-10-8-3-1-2-4-11(8)18-14(10)13(19-12)9-5-6-17-15(9)22/h1-4,9,12-13,18-19H,5-7H2,(H,17,22)(H,20,21)
HMDB55792	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB50318	TG(20:1(11Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,53H,4-23,25,27-52H2,1-3H3/b26-24-
HMDB34340	Physalin G	CC12OC(=O)C3(O)CCC4C(CC(O)C5=CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3
HMDB34341	Physalin L	CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC11C2(C)OC(=O)C1(O)CCC1C3C(O)C=C2C=CCC(=O)C12C	InChI=1S/C28H32O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5-6,10,12,14-15,17-19,29,34-35H,7-9,11H2,1-4H3
HMDB34342	Physalin M	CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC11C2(C)OC(=O)C1(O)CCC1C3CC=C2C=CCC(=O)C12C	InChI=1S/C28H32O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5-6,8,13,15-16,18-19,33-34H,7,9-12H2,1-4H3
HMDB34343	3-Hydroxyspirostan-12-one; (3b,5b,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[a-L-arabinopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C44H70O18/c1-18-7-10-44(57-15-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(47)43(24,30)4)58-41-38(61-40-37(54)34(51)32(49)27(14-45)59-40)35(52)33(50)28(60-41)17-56-39-36(53)31(48)25(46)16-55-39/h18-28,30-41,45-46,48-54H,5-17H2,1-4H3
HMDB34344	Scopoletin	COC1=CC2=C(OC(=O)C=C2)C=C1O	InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
HMDB34345	7-Acetoxy-6-methoxycoumarin	COC1=CC2=C(OC(=O)C=C2)C=C1OC(C)=O	InChI=1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3
HMDB34346	4-Deoxyphysalolactone	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(Cl)C4(O)CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H39ClO7/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-19(29)27(34)9-6-7-20(30)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-19,21,32-35H,8-14H2,1-5H3
HMDB34347	Physalin K	CC12OC(=O)C3(O)CCC4C(CC(O)C56OOC(C=C5)C(=O)C46C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H30O12/c1-22-9-16-24(3)28-17(22)19(31)27(39-28,35-10-13(22)20(32)36-16)12-8-15(29)26-7-5-14(38-40-26)18(30)23(26,2)11(12)4-6-25(28,34)21(33)37-24/h5,7,11-17,29,34H,4,6,8-10H2,1-3H3
HMDB34348	(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8(14),24(28)-dien-3-ol	C\C=C(\CCC(C)C1CCC2=C3CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,19-21,24-25,27-28,31H,9-18H2,1-7H3/b22-8-
HMDB34349	Suillin	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC1=C(O)C(O)=CC=C1OC(C)=O	InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-27(32-24(6)29)19-18-26(30)28(25)31/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-
HMDB34181	3-Methylcyclopentadecanone	CC1CCCCCCCCCCCCC(=O)C1	InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3
HMDB50316	TG(20:1(11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,35,38,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,38-35-
HMDB55798	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-6,13-15,22-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB55799	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-6,13-15,22-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB15015	Sirolimus	[H][C@@]1(C[C@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC	InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33+,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
HMDB15014	Eprosartan	CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O	InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
HMDB15017	Emtricitabine	NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1	InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
HMDB15016	Chlorhexidine	ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1	InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
HMDB15011	Loteprednol	[H][C@@]12CC[C@](O)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1
HMDB15010	Conivaptan	CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1	InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
HMDB15013	Flupenthixol	[H]C(CCN1CCN(CCO)CC1)=C1C2C=C(C=CC2SC2=C1C=CC=C2)C(F)(F)F	InChI=1S/C23H27F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,20,22,29H,3,9-15H2/b18-5-
HMDB15019	Quinapril	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O	InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1
HMDB15018	Chlorothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1	InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
HMDB42879	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,34,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,34-31-
HMDB42878	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,26-27,29,32,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-
HMDB42877	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,39,42,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,27-25-,35-32-,42-39-
HMDB42876	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31,33,37,40,58H,4-7,9-10,12-16,18-19,21-24,26,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,20-17-,27-25-,33-31-,40-37-
HMDB42875	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,35,38,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,38-35-
HMDB42874	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,36-33-
HMDB42873	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,34,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,34-31-
HMDB42872	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-
HMDB42871	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,16,19,23-24,26-27,29,32,50H,4-6,8-9,11-15,17-18,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,32-29-
HMDB42870	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,37,40,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,40-37-
HMDB32715	Lepidine B	OC1=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=CC=C1	InChI=1S/C20H18N4O2/c25-17-6-2-4-15(13-19-23-9-10-24-19)20(17)26-16-5-1-3-14(11-16)12-18-21-7-8-22-18/h1-11,25H,12-13H2,(H,21,22)(H,23,24)
HMDB44119	TG(16:0/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,38,41,54H,4-24,28,31,33-37,39-40,42-53H2,1-3H3/b27-25-,29-26-,32-30-,41-38-
HMDB15492	Stepronin	CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O	InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)
HMDB32714	cis-Uvariamicin IB	CCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H68O5/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3
HMDB29900	Lucuminoside	OC1COC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2
HMDB29901	L-Galacto-2-heptulose	OCC(O)C(O)C(O)C(O)C(=O)CO.OCC(O)C1OC(O)(CO)C(O)C1O.OCC1OC(O)(CO)C(O)C(O)C1O	InChI=1S/3C7H14O7/c8-1-3(10)5-4(11)6(12)7(13,2-9)14-5;8-1-3-4(10)5(11)6(12)7(13,2-9)14-3;8-1-3(10)5(12)7(14)6(13)4(11)2-9/h2*3-6,8-13H,1-2H2;3,5-10,12-14H,1-2H2
HMDB29902	Galabiose	OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/2C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h3-20H,1-2H2;1,4-12,14-21H,2-3H2
HMDB29903	3,5-Dicaffeoyl-4-succinoylquinic acid	OC(=O)CCC(=O)OC1C(CC(O)(CC1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O)OC(=O)\C=C\C1=CC(O)=C(O)C=C1	InChI=1S/C29H28O15/c30-17-5-1-15(11-19(17)32)3-8-24(36)42-21-13-29(41,28(39)40)14-22(27(21)44-26(38)10-7-23(34)35)43-25(37)9-4-16-2-6-18(31)20(33)12-16/h1-6,8-9,11-12,21-22,27,30-33,41H,7,10,13-14H2,(H,34,35)(H,39,40)/b8-3+,9-4+
HMDB29904	Kanzonol T	CC(C)(O)CCC1=C(O)C2=C(OC=C(C2=O)C2=CC=C3OC(C)(C)C=CC3=C2O)C=C1O	InChI=1S/C25H26O7/c1-24(2,30)9-7-14-17(26)11-19-20(22(14)28)23(29)16(12-31-19)13-5-6-18-15(21(13)27)8-10-25(3,4)32-18/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3
HMDB29905	Artonin T	COC1=CC2=C(C(O)=C1)C(=O)C1=C(O2)C2=C3C(C1)C(C)(C)OC3=C(O)C(CC=C(C)C)=C2O	InChI=1S/C26H26O7/c1-11(2)6-7-13-21(28)20-18-15(26(3,4)33-25(18)23(13)30)10-14-22(29)19-16(27)8-12(31-5)9-17(19)32-24(14)20/h6,8-9,15,27-28,30H,7,10H2,1-5H3
HMDB29906	Capsianoside C	CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O	InChI=1S/C82H134O38/c1-13-81(11,119-79-71(63(99)56(92)49(34-85)112-79)117-75-65(101)59(95)54(90)47(32-83)110-75)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-74-68(104)69(53(89)45(10)108-74)116-77-67(103)61(97)58(94)51(114-77)37-107-78-70(62(98)52(88)44(9)109-78)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(64(100)57(93)50(35-86)113-80)118-76-66(102)60(96)55(91)48(33-84)111-76/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25-,43-31+
HMDB29907	Capsianoside E	CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O	InChI=1S/C82H134O37/c1-13-81(11,118-79-71(63(98)56(91)49(35-85)111-79)116-75-65(100)59(94)54(89)47(33-83)109-75)31-19-28-41(5)23-15-21-39(3)25-17-27-43(7)37-105-74-68(103)69(53(88)46(10)107-74)115-77-67(102)61(96)58(93)51(113-77)38-106-78-70(62(97)52(87)45(9)108-78)114-73(104)44(8)30-18-26-40(4)22-16-24-42(6)29-20-32-82(12,14-2)119-80-72(64(99)57(92)50(36-86)112-80)117-76-66(101)60(95)55(90)48(34-84)110-76/h13-14,21-22,27-30,45-72,74-80,83-103H,1-2,15-20,23-26,31-38H2,3-12H3/b39-21+,40-22+,41-28+,42-29+,43-27-,44-30+
HMDB29908	Camellianin A	CC1OC(OC2C(COC(C)=O)OC(OC3=CC(O)=CC4=C3C(=O)C=C(O4)C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O	InChI=1S/C29H32O15/c1-11-22(34)23(35)25(37)28(40-11)44-27-20(10-39-12(2)30)43-29(26(38)24(27)36)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3
HMDB29909	Gein	COC1=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=CC(CC=C)=C1	InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3
HMDB10144	PIP2(22:4(7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,24-25,39,42-47,50-52H,3-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-,25-24-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10145	PIP2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,24-25,29,31,39,42-47,50-52H,3-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-,25-24-,31-29-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10146	PIP2(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-18,20-21,24-25,39,42-47,50-52H,3-4,6,8-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,18-17-,21-20-,25-24-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10147	PIP3(16:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36?,37?,38-,39+,40?,41?/m1/s1
HMDB10140	PIP2(22:2(13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,39,42-47,50-52H,3-10,12,14-16,19-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10141	PIP2(22:3(10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,39,42-47,50-52H,3-10,12,14-16,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10142	PIP2(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h8,10-11,13-14,16-18,20-21,39,42-47,50-52H,3-7,9,12,15,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10143	PIP2(22:4(10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-18,20-21,39,42-47,50-52H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10148	PIP3(16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H80O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h14,16,33,36-41,44-45H,3-13,15,17-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/b16-14-/t33-,36?,37?,38-,39+,40?,41?/m1/s1
HMDB10149	PIP3(16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H84O22P4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)61-35(33-59-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h13,15,35,38-43,46-47H,3-12,14,16-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/b15-13-/t35-,38?,39?,40-,41+,42?,43?/m1/s1
HMDB11811	Ganglioside GD1b (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h16,18,49-59,61-81,89-94,98-101,103-111H,6-15,17,19-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b18-16-/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1
HMDB11810	Ganglioside GD1b (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C85H151N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h49-59,61-81,89-94,98-101,103-111H,6-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1
HMDB11813	Ganglioside GD1b (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C87H155N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-62(104)90-52(53(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)47-118-81-72(112)70(110)75(60(45-95)121-81)124-83-73(113)79(76(61(46-96)122-83)125-80-51(38-48(3)97)74(67(107)58(43-93)119-80)123-82-71(111)69(109)66(106)57(42-92)120-82)129-87(85(116)117)40-55(102)64(89-50(5)99)78(128-87)68(108)59(44-94)126-86(84(114)115)39-54(101)63(88-49(4)98)77(127-86)65(105)56(103)41-91/h51-61,63-83,91-96,100-103,105-113H,6-47H2,1-5H3,(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/t51-,52+,53-,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74-,75-,76+,77?,78?,79-,80+,81-,82+,83+,86-,87+/m1/s1
HMDB11812	Ganglioside GD1b (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h20-21,49-59,61-81,89-94,98-101,103-111H,6-19,22-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b21-20-/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1
HMDB11815	Ganglioside GD1b (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H157N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(106)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-74(114)72(112)77(62(47-97)123-83)126-85-75(115)81(78(63(48-98)124-85)127-82-53(40-50(3)99)76(69(109)60(45-95)121-82)125-84-73(113)71(111)68(108)59(44-94)122-84)131-89(87(118)119)42-57(104)66(91-52(5)101)80(130-89)70(110)61(46-96)128-88(86(116)117)41-56(103)65(90-51(4)100)79(129-88)67(107)58(105)43-93/h20-21,53-63,65-85,93-98,102-105,107-115H,6-19,22-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/b21-20-/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68+,69+,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81-,82+,83-,84+,85+,88-,89+/m1/s1
HMDB11814	Ganglioside GD1b (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C89H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(106)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-74(114)72(112)77(62(47-97)123-83)126-85-75(115)81(78(63(48-98)124-85)127-82-53(40-50(3)99)76(69(109)60(45-95)121-82)125-84-73(113)71(111)68(108)59(44-94)122-84)131-89(87(118)119)42-57(104)66(91-52(5)101)80(130-89)70(110)61(46-96)128-88(86(116)117)41-56(103)65(90-51(4)100)79(129-88)67(107)58(105)43-93/h53-63,65-85,93-98,102-105,107-115H,6-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68+,69+,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81-,82+,83-,84+,85+,88-,89+/m1/s1
HMDB11817	Ganglioside GD1b (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C91H163N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(108)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-76(116)74(114)79(64(49-99)125-85)128-87-77(117)83(80(65(50-100)126-87)129-84-55(42-52(3)101)78(71(111)62(47-97)123-84)127-86-75(115)73(113)70(110)61(46-96)124-86)133-91(89(120)121)44-59(106)68(93-54(5)103)82(132-91)72(112)63(48-98)130-90(88(118)119)43-58(105)67(92-53(4)102)81(131-90)69(109)60(107)45-95/h55-65,67-87,95-100,104-107,109-117H,6-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,108)(H,118,119)(H,120,121)/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70+,71+,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83-,84+,85-,86+,87+,90-,91+/m1/s1
HMDB11816	Ganglioside GD1b (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C90H161N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-65(107)93-55(56(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)50-121-84-75(115)73(113)78(63(48-98)124-84)127-86-76(116)82(79(64(49-99)125-86)128-83-54(41-51(3)100)77(70(110)61(46-96)122-83)126-85-74(114)72(112)69(109)60(45-95)123-85)132-90(88(119)120)43-58(105)67(92-53(5)102)81(131-90)71(111)62(47-97)129-89(87(117)118)42-57(104)66(91-52(4)101)80(130-89)68(108)59(106)44-94/h54-64,66-86,94-99,103-106,108-116H,6-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,107)(H,117,118)(H,119,120)/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69+,70+,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82-,83+,84-,85+,86+,89-,90+/m1/s1
HMDB11819	Ganglioside GD1b (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C92H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-67(109)95-57(58(105)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)52-123-86-77(117)75(115)80(65(50-100)126-86)129-88-78(118)84(81(66(51-101)127-88)130-85-56(43-53(3)102)79(72(112)63(48-98)124-85)128-87-76(116)74(114)71(111)62(47-97)125-87)134-92(90(121)122)45-60(107)69(94-55(5)104)83(133-92)73(113)64(49-99)131-91(89(119)120)44-59(106)68(93-54(4)103)82(132-91)70(110)61(108)46-96/h56-66,68-88,96-101,105-108,110-118H,6-52H2,1-5H3,(H,93,103)(H,94,104)(H,95,109)(H,119,120)(H,121,122)/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,66-,68-,69-,70-,71+,72+,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84-,85+,86-,87+,88+,91-,92+/m1/s1
HMDB11818	Ganglioside GD1b (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C91H161N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(108)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-76(116)74(114)79(64(49-99)125-85)128-87-77(117)83(80(65(50-100)126-87)129-84-55(42-52(3)101)78(71(111)62(47-97)123-84)127-86-75(115)73(113)70(110)61(46-96)124-86)133-91(89(120)121)44-59(106)68(93-54(5)103)82(132-91)72(112)63(48-98)130-90(88(118)119)43-58(105)67(92-53(4)102)81(131-90)69(109)60(107)45-95/h20-21,55-65,67-87,95-100,104-107,109-117H,6-19,22-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,108)(H,118,119)(H,120,121)/b21-20-/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70+,71+,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83-,84+,85-,86+,87+,90-,91+/m1/s1
HMDB06088	Scyllitol	O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6+
HMDB06083	Troxerutin	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC(OCCO)=C(OCCO)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1
HMDB04813	3-Methyluridine	CN1C(=O)C=CN(C2OC(CO)C(O)C2O)C1=O	InChI=1S/C10H14N2O6/c1-11-6(14)2-3-12(10(11)17)9-8(16)7(15)5(4-13)18-9/h2-3,5,7-9,13,15-16H,4H2,1H3
HMDB04812	2,5-Furandicarboxylic acid	OC(=O)C1=CC=C(O1)C(O)=O	InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
HMDB04811	2,4-Dichlorophenol	OC1=CC=C(Cl)C=C1Cl	InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
HMDB04810	5C-aglycone	CC(CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O)C(O)=O	InChI=1S/C16H16O4/c1-9(16(19)20)7-8-11-10(2)14(17)12-5-3-4-6-13(12)15(11)18/h3-6,9H,7-8H2,1-2H3,(H,19,20)
HMDB04817	5-Hydroxydopamine	NCCC1=CC(O)=C(O)C(O)=C1	InChI=1S/C8H11NO3/c9-2-1-5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,1-2,9H2
HMDB04816	FAPy-adenine	NC1=NC=NC(N)=C1NC=O	InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)
HMDB04815	4-Hydroxy-3-methylbenzoic acid	CC1=CC(=CC=C1O)C(O)=O	InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
HMDB04814	4-Heptanone	CCCC(=O)CCC	InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
HMDB28741	Asparaginyl-Threonine	CC(O)C(N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C8H15N3O5/c1-3(12)6(10)7(14)11-4(8(15)16)2-5(9)13/h3-4,6,12H,2,10H2,1H3,(H2,9,13)(H,11,14)(H,15,16)
HMDB28740	Asparaginyl-Serine	NC(CO)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)
HMDB28743	Asparaginyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C13H17N3O5/c14-9(5-7-1-3-8(17)4-2-7)12(19)16-10(13(20)21)6-11(15)18/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)
HMDB04818	Biotin sulfone	[H][C@]12CS(=O)(=O)[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2	InChI=1S/C10H16N2O5S/c13-8(14)4-2-1-3-7-9-6(5-18(7,16)17)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
HMDB28745	Asparaginyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C9H16N4O5/c10-4(1-2-6(11)14)8(16)13-5(9(17)18)3-7(12)15/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)
HMDB28744	Asparaginyl-Valine	CC(C)C(N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)
HMDB28747	Aspartyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)
HMDB28746	Aspartyl-Alanine	CC(N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)
HMDB59214	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,42-43,45-46,50-52,54-56,62-64,66-68,85-87,92H,5-20,24,28-32,36,40-41,44,47-49,53,57-61,65,69-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB50604	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,40,43,58H,4-17,19-20,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,43-40-
HMDB56348	DG(22:2n6/0:0/20:5n3)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,31,33,43,46H,3-5,7,9-10,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-,33-31-
HMDB56349	DG(22:2n6/0:0/22:5n3)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,45,48H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-
HMDB56340	DG(20:4n6/0:0/22:5n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,6,8-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-
HMDB56341	DG(20:4n6/0:0/22:6n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-4,6,8-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-
HMDB56342	DG(22:2n6/0:0/22:2n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45,48H,3-10,15-16,21-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
HMDB56343	DG(22:2n6/0:0/22:4n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,45,48H,3-10,15-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-
HMDB56344	DG(22:2n6/0:0/22:5n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,35,37,45,48H,3-10,15-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-
HMDB56345	DG(22:2n6/0:0/18:3n3)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,41,44H,3-5,7,9-10,15-16,20-22,24-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-
HMDB56346	DG(22:2n6/0:0/18:4n3)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,27,29,41,44H,3-5,7,9-10,15-16,20-22,24-26,28,30-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-,29-27-
HMDB56347	DG(22:2n6/0:0/20:4n3)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,43,46H,3-5,7,9-10,15-16,21-24,26,28-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-
HMDB53196	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31,33,36-37,40,57H,4-6,8-9,11-13,15,20,22,24,29-30,32,34-35,38-39,41-56H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-
HMDB53197	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-34,36-38,41,58H,4-7,9-10,12-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-
HMDB53194	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35-36,38-39,55H,4-8,10-11,13-16,19,22-25,28,31-34,37,40-54H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,39-36-
HMDB53195	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-28,30-32,35-37,39-40,56H,4-6,8-9,11-15,22-24,29,33-34,38,41-55H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-
HMDB53192	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-33,36,38-41,43,58H,4-6,8,11,13-15,22-24,29,34-35,37,42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-
HMDB53193	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-33,36,38-41,43,45,48,58H,4-6,8,11,13-15,22-24,29,34-35,37,42,44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-,48-45-
HMDB53190	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-32,34,36,38-39,41,56H,4-6,8,11,13-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-
HMDB53191	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-32,34,36,38-41,43,56H,4-6,8,11,13-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB53198	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-34,36-38,41-42,45,58H,4-7,9-10,12-15,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB53199	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34,36,39-40,43,60H,4-7,9-10,12-15,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-
HMDB12564	13,14-Dihydro-15-oxo-lipoxin A4	CCCCCC(=O)CC\C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19-/m1/s1
HMDB12567	13-HETE	CCCCC\C=C/C(O)\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-
HMDB12560	13'-hydroxy-alpha-tocotrienol	C\C(CO)=C\CC\C(C)=C\CC\C(C)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C29H44O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h11,14-15,30-31H,8-10,12-13,16-19H2,1-7H3/b20-11+,21-15-,22-14-/t29-/m1/s1
HMDB12561	13'-Hydroxy-gamma-tocopherol	CC(CO)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C28H48O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h18,20-22,29-30H,7-17,19H2,1-6H3/t20-,21+,22?,28-/m1/s1
HMDB12562	13'-Hydroxy-gamma-tocotrienol	C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC[C@@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C28H42O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h10,13-14,18,29-30H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t28-/m0/s1
HMDB12563	13,14-Dihydro- lipoxin A4	CCCCC[C@@H](O)CC\C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t17-,18-,19-/m1/s1
HMDB53448	TG(20:2n6/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,38,41,47,50,63H,4-14,16,19,21-23,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,41-38-,50-47-
HMDB53449	TG(20:2n6/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,65H,4-14,16,19,21-23,30-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-
HMDB53444	TG(20:2n6/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,33,35,41,44,50,53,63H,4-6,8-9,11-14,17,20-23,30-32,34,36-40,42-43,45-49,51-52,54-62H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB53445	TG(20:2n6/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,60H,4-13,15-16,18-22,24,27,29-59H2,1-3H3/b17-14-,26-23-,28-25-
HMDB53446	TG(20:2n6/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,23-28,62H,4-13,16,19-22,29-61H2,1-3H3/b17-14-,18-15-,26-23-,27-24-,28-25-
HMDB53447	TG(20:2n6/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,38,41,63H,4-14,16,19,21-23,30-37,39-40,42-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,41-38-
HMDB53440	TG(20:2n6/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,33,39,42,59H,4-8,10-11,13,15-16,19-20,22,24,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,33-27-,42-39-
HMDB53441	TG(20:2n6/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,36,39,61H,4-7,9-10,12-14,16,19,21-23,30-35,37-38,40-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,39-36-
HMDB53442	TG(20:2n6/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,36,39,45,48,61H,4-7,9-10,12-14,16,19,21-23,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,39-36-,48-45-
HMDB53443	TG(20:2n6/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,33,35,41,44,63H,4-6,8-9,11-14,17,20-23,30-32,34,36-40,42-43,45-62H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,35-33-,44-41-
HMDB50184	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,32-33,40,43,58H,4-8,10-11,13-17,19-20,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,32-26-,33-27-,43-40-
HMDB50185	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,34-35,42,45,60H,4-8,10-11,13-17,19-20,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,28-25-,34-26-,35-27-,45-42-
HMDB50186	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,26-31,37,40,55H,4-8,10-11,13-17,20,23-25,32-36,38-39,41-54H2,1-3H3/b12-9-,21-18-,22-19-,29-26-,30-27-,31-28-,40-37-
HMDB50187	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,54H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB50180	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,55H,4-8,10-11,13-17,19-20,22-25,28,31-54H2,1-3H3/b12-9-,21-18-,29-26-,30-27-
HMDB50181	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,54H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-
HMDB50182	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,30-31,38,41,56H,4-8,10-11,13-17,19-20,22-24,29,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,28-25-,30-26-,31-27-,41-38-
HMDB50183	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,30-32,34,38,40-41,43,56H,4-8,10-11,13-17,19-20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b12-9-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB50188	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,21-22,25-27,29-30,37,40,55H,4-8,10-11,14-15,17,19-20,23-24,28,31-36,38-39,41-54H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,29-26-,30-27-,40-37-
HMDB50189	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-32,34,38,41,56H,4-8,10-11,13-15,17,20,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-
HMDB32615	1,1-Dimethoxy-2-phenylethane	COC(CC1=CC=CC=C1)OC	InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
HMDB54874	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-37,40-45,49,52,64H,4-8,10-11,13-15,22-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB54875	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-8,10-11,13-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB54876	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-39,41,45,48,60H,4-7,10,13-15,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB54877	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-7,10,13-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB54870	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-7,10,13-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB54871	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-45,64H,4-6,8,11,13-15,22-24,31-32,35,38-39,46-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-
HMDB54872	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-45,50,53,64H,4-6,8,11,13-15,22-24,31-32,35,38-39,46-49,51-52,54-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-
HMDB54873	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,35,37,40,42-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-
HMDB54878	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-7,10,13-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB54879	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-7,10,13-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB00660	D-Fructose	OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
HMDB00661	Glutaric acid	OC(=O)CCCC(O)=O	InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
HMDB00662	Fluorine	[F-]	InChI=1S/FH/h1H/p-1
HMDB00663	Glucaric acid	O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O	InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
HMDB00664	Isohyodeoxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
HMDB00665	Leucinic acid	CC(C)CC(O)C(O)=O	InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
HMDB00666	Heptanoic acid	CCCCCCC(O)=O	InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
HMDB00667	L-Thyronine	N[C@@H](CC1=CC=C(OC2=CC=C(O)C=C2)C=C1)C(O)=O	InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1
HMDB00668	Hematoporphyrin IX	CC(O)C1=C2NC(\C=C3/N\C(=C/C4=N/C(=C\C5=N\C(=C/2)\C(C)=C5C(C)O)/C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C	InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,35,37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-
HMDB00669	Ortho-Hydroxyphenylacetic acid	OC(=O)CC1=CC=CC=C1O	InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
HMDB55699	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,9,12-15,18,21-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB55698	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,9,12-15,18,21-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB55693	TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,39-40,42-43,56H,4-6,9,12-15,18,21-24,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB55692	TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,40,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,40-37-
HMDB55691	TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-
HMDB55690	TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39-40,43,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-
HMDB55697	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,41-42,44-45,58H,4-6,9,12-15,18,21-24,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB55696	TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,38,41,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-,41-38-
HMDB55695	TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,9,12-15,18,21-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB55694	TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,39,41,44,58H,4-6,9,12-15,18,21-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB42102	TG(14:0/15:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h24-25,49H,4-23,26-48H2,1-3H3/b25-24-
HMDB43939	TG(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-,46-43-
HMDB42101	TG(14:0/15:0/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h24-25,47H,4-23,26-46H2,1-3H3/b25-24-
HMDB06509	Nervonyl carnitine	CCC[N+](C)(C)C	InChI=1S/C6H16N/c1-5-6-7(2,3)4/h5-6H2,1-4H3/q+1
HMDB06508	Retinoyl CoA	OC(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N)C(=O)NCCC(=O)NCCSC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C41H62N7O17P3S/c1-25(13-14-28-27(3)12-9-16-40(28,4)5)10-8-11-26(2)20-31(50)69-19-18-43-30(49)15-17-44-38(53)35(52)41(6,7)22-62-68(59,60)65-67(57,58)61-21-29-34(64-66(54,55)56)33(51)39(63-29)48-24-47-32-36(42)45-23-46-37(32)48/h8,10-11,13-14,20,23-24,29,33-35,39,51-52H,9,12,15-19,21-22H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b11-8+,14-13+,25-10+,26-20+/t29-,33-,34-,35?,39-/m1/s1
HMDB06503	Phenylacetyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC1=CC=CC=C1	InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1
HMDB06502	P1,P4-Bis(5'-adenosyl) tetraphosphate	NC1=NC=NC2=C1N=CN2C1OC(COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)C(O)C1O	InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4
HMDB06500	Previtamin D3	CC(C)CCC[C@@H](C)[C@H]1CCC2([H])C(=CCC[C@]12C)\C=C/C1=C(C)CC[C@H](O)C1	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26?,27-/m1/s1
HMDB06505	Lumisterol 3	[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25-,26-,27-/m1/s1
HMDB52319	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36,38,41-42,45,62H,4-7,9-10,12-16,19,22-24,30-35,37,39-40,43-44,46-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-
HMDB43938	TG(16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-
HMDB52317	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,44,47,68H,4-8,10-11,13-17,19-20,22-24,31-43,45-46,48-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,47-44-
HMDB52316	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,42,45,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-41,43-44,46-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-,45-42-
HMDB52315	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,41,44,46,49-50,53,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-
HMDB52314	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,41,44,46,49,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-
HMDB52313	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,39,44-45,47-48,62H,4-7,10,13-16,19,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB52312	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,39,44,47,62H,4-7,10,13-16,19,22-24,30-35,38,40-43,45-46,48-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-
HMDB42100	TG(14:0/15:0/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-
HMDB52310	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,34-35,42,45,60H,4-7,10,13-16,19,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,45-42-
HMDB01043	Arachidonic acid	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
HMDB54251	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-47,50,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB01041	2-Methylbutyryl-CoA	CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14?,15-,18-,19-,20?,24-/m1/s1
HMDB54253	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB01047	D-Fructose 2,6-bisphosphate	OC[C@@]1(OP(O)(O)=O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
HMDB01046	Cotinine	CN1C(CCC1=O)C1=CN=CC=C1	InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
HMDB01045	Enkephalin L	CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
HMDB01044	2'-Deoxyguanosine 5'-monophosphate	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1	InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
HMDB54258	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-8,10-11,13-15,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB54259	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-8,10-11,13-15,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB01049	Gamma-Glutamylcysteine	N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O	InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
HMDB40123	Centellasaponin B	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C42H68O16/c1-18-9-10-42(37(54)58-36-32(52)30(50)28(48)24(57-36)16-55-35-31(51)29(49)27(47)23(15-43)56-35)12-11-40(5)20(26(42)19(18)2)7-8-25-38(3)13-22(46)34(53)39(4,17-44)33(38)21(45)14-41(25,40)6/h7,18-19,21-36,43-53H,8-17H2,1-6H3
HMDB40122	Madecassoside	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3
HMDB40121	3,4-Dihydroxy-5-(3-methyl-2-butenyl)benzoic acid, 9CI; 3-O-b-D-Glucopyranoside, Me ester	COC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C(CC=C(C)C)=C1	InChI=1S/C19H26O9/c1-9(2)4-5-10-6-11(18(25)26-3)7-12(14(10)21)27-19-17(24)16(23)15(22)13(8-20)28-19/h4,6-7,13,15-17,19-24H,5,8H2,1-3H3
HMDB40120	Centellasaponin A	CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4=C4CCC6C7(C)CC(O)C(O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O	InChI=1S/C48H78O19/c1-21-29(52)31(54)34(57)40(63-21)66-37-25(18-49)64-39(36(59)33(37)56)62-19-26-30(53)32(55)35(58)41(65-26)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(51)38(60)45(5,20-50)27(44)10-11-47(28,7)46(22,6)13-15-48/h21,24-41,49-60H,8-20H2,1-7H3
HMDB40127	Foeniculoside II	OCC1OC(OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C(=C2)C2C(OC3=C2C(\C=C\C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-20-35(41-37(21-34)61-46(24-5-11-29(51)12-6-24)40(41)27-16-31(53)18-32(54)17-27)42-39-26(4-1-23-2-9-28(50)10-3-23)15-33(55)19-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+
HMDB40126	Mulberroside F	OCC1OC(OC2=CC=C3C=C(OC3=C2)C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	InChI=1S/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2
HMDB40125	4',5,6,7-Tetrahydroxyflavanone; (S)-form, 6,7-Di-O-b-D-glucopyranoside	OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H32O16/c28-7-15-18(32)21(35)23(37)26(41-15)40-14-6-13-17(11(31)5-12(39-13)9-1-3-10(30)4-2-9)20(34)25(14)43-27-24(38)22(36)19(33)16(8-29)42-27/h1-4,6,12,15-16,18-19,21-24,26-30,32-38H,5,7-8H2
HMDB40124	1-Propenylpyrazine	C\C=C\C1=CN=CC=N1	InChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2-6H,1H3/b3-2+
HMDB40129	2',5,6,7-Tetrahydroxyisoflavone; 2',6-Di-Me ether, 7-O-a-L-rhamnopyranoside	COC1=CC=CC=C1C1=COC2=C(C(O)=C(OC)C(OC3OC(C)C(O)C(O)C3O)=C2)C1=O	InChI=1S/C23H24O10/c1-10-17(24)20(27)21(28)23(32-10)33-15-8-14-16(19(26)22(15)30-3)18(25)12(9-31-14)11-6-4-5-7-13(11)29-2/h4-10,17,20-21,23-24,26-28H,1-3H3
HMDB40128	Foeniculoside IV	OCC1OC(OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(OC4OC(CO)C(O)C(O)C4O)=CC4=C3C(C(O4)C3=CC=C(O)C=C3)C3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3)C(\C=C\C3=CC=C(O)C=C3)=C2)C(O)C(O)C1O	InChI=1S/C60H62O24/c61-22-40-47(68)50(71)53(74)58(82-40)77-34-17-29(15-33(67)18-34)44-45-37(19-36(79-60-55(76)52(73)49(70)42(24-63)84-60)21-39(45)81-56(44)26-5-11-31(65)12-6-26)46-43-28(4-1-25-2-9-30(64)10-3-25)16-35(78-59-54(75)51(72)48(69)41(23-62)83-59)20-38(43)80-57(46)27-7-13-32(66)14-8-27/h1-21,40-42,44,46-76H,22-24H2/b4-1+
HMDB48354	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-30,33,35-36,38,54H,4-6,8-9,11-14,21-23,27,31-32,34,37,39-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-
HMDB48355	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,29-30,34,37,55H,4-6,8-9,11-13,20-22,27-28,31-33,35-36,38-54H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,37-34-
HMDB48356	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB48357	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,40,43,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB48350	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31-32,34-35,38,40,43,56H,4-6,8-9,11-14,17,20-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB48351	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,31,33,37,40,58H,4-7,9-10,12-14,16,19,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,33-31-,40-37-
HMDB48352	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,35,39,42,60H,4-7,9-10,12-14,16,19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-32-,42-39-
HMDB48353	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-31,34,37,55H,4-6,8-9,11-14,17,21-22,25,28,32-33,35-36,38-54H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-
HMDB48358	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,31,33,37,40,58H,4-7,9-10,12-14,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-
HMDB48359	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,36-37,39-40,58H,4-7,9-10,12-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB51758	TG(22:1(13Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,62H,4-8,10-11,13-16,19,22-24,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-
HMDB51759	TG(22:1(13Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,42,45,62H,4-8,10-11,13-16,19,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB51756	TG(22:1(13Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,37,43,46,66H,4-15,17,20,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB51757	TG(22:1(13Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,37,43,46,52,55,66H,4-15,17,20,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB51754	TG(22:1(13Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,41,47,50,64H,4-16,19,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB51755	TG(22:1(13Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,66H,4-15,17,20,22-24,31-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-
HMDB51752	TG(22:1(13Z)/22:2(13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,63H,4-14,16,19,21-23,30-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-
HMDB51753	TG(22:1(13Z)/22:2(13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,41,64H,4-16,19,22-24,31-37,39-40,42-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB51750	TG(22:1(13Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,37,63H,4-16,18-19,22-23,27,31-36,38-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-30-
HMDB51751	TG(22:1(13Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,42,45,62H,4-16,19,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB07678	DG(22:4(7Z,10Z,13Z,16Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,39,42H,3-10,12,14-16,19,22-23,26-38H2,1-2H3/b13-11-,18-17-,21-20-,25-24-/t39-/m0/s1
HMDB07679	DG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,39,42H,3-10,12,15,19,22-23,26-38H2,1-2H3/b13-11-,16-14-,18-17-,21-20-,25-24-/t39-/m0/s1
HMDB09218	PE(20:0/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,37H,3-9,11,13-36,40H2,1-2H3,(H,43,44)/b12-10-/t37-/m1/s1
HMDB09219	PE(20:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
HMDB07672	DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,36,38,45,48H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1
HMDB07673	DG(22:2(13Z,16Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47,50H,3-11,13,15-17,19,21-46H2,1-2H3/b14-12-,20-18-/t47-/m0/s1
HMDB07670	DG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,36,38,45,48H,3-10,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1
HMDB09215	PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,33,36,40H,3-5,7,9-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB07676	DG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,37,40H,3-9,14-15,18,21,23,25-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
HMDB07677	DG(22:4(7Z,10Z,13Z,16Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,38,41H,3-10,12,14-16,19,22,24,26-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-/t38-/m0/s1
HMDB07674	DG(22:2(13Z,16Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47,50H,3-11,13,15-16,21-46H2,1-2H3/b14-12-,19-17-,20-18-/t47-/m0/s1
HMDB07675	DG(22:4(7Z,10Z,13Z,16Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,37,40H,3-10,12,14-15,18,21,23,25-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
HMDB35699	Corosin	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(O)=O	InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)
HMDB35698	(-)-Matairesinol	COC1=CC(C[C@@H]2[C@@H](CC3=CC(OC)=C(O)C=C3)COC2=O)=CC=C1O	InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
HMDB35695	Vitamin A2 aldehyde	C\C(\C=C\C=C(/C)\C=C\C1=C(C)C=CCC1(C)C)=C/C=O	InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
HMDB35694	Ginsenoside Ra2	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)42(70)39(67)31(80-51)23-76-52-47(40(68)30(21-61)78-52)82-49-44(72)36(64)27(63)22-75-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-53-48(43(71)38(66)29(20-60)79-53)83-50-45(73)41(69)37(65)28(19-59)77-50/h10,25-53,59-74H,9,11-23H2,1-8H3
HMDB35697	Momordicoside E	CC(C=O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C	InChI=1S/C37H60O12/c1-18(15-38)19-11-12-37(6)24-9-7-20-21(35(24,4)13-14-36(19,37)5)8-10-25(34(20,2)3)49-33-31(45)29(43)27(41)23(48-33)17-46-32-30(44)28(42)26(40)22(16-39)47-32/h7,15,18-19,21-33,39-45H,8-14,16-17H2,1-6H3
HMDB35696	Pyrrhoxanthinol	C\C(=C/C=C\C=C\C=C(/C)C#CC1=C(C)CC(O)CC1(C)C)\C=C1/OC(=O)C(\C=C\C23OC2(C)CC(O)CC3(C)C)=C1	InChI=1S/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13+,26-14+,31-19-
HMDB35691	Quercilicoside A	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3
HMDB35690	6-O-Methylarmillaridin	COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23OC)C(C)=C1Cl	InChI=1S/C25H31ClO6/c1-13-20(17(28)8-18(30-5)21(13)26)22(29)32-19-11-24(4)16-10-23(2,3)9-14(16)7-15(12-27)25(19,24)31-6/h7-8,12,14,16,19,28H,9-11H2,1-6H3
HMDB35693	Ginsenoside Ra1	CC(C)=CCCC(C)(OC1OC(COC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-52-47(74)42(69)39(66)30(81-52)22-76-49-45(72)40(67)31(23-77-49)80-50-44(71)36(63)27(62)21-75-50)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)82-53-48(43(70)38(65)29(20-60)79-53)83-51-46(73)41(68)37(64)28(19-59)78-51/h10,25-53,59-74H,9,11-23H2,1-8H3
HMDB35692	8,15-Isopimaradien-18-oic acid	CC1(CCC2=C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C	InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,16H,1,6-13H2,2-4H3,(H,21,22)
HMDB02536	Isodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
HMDB33228	Guaidiol	CC(=C)C1CCC(C)(O)C2CCC(C)(O)C2C1	InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h11-13,16-17H,1,5-9H2,2-4H3
HMDB33229	Absindiol	CC1C2C(OC1=O)C1C(CC(O)C1=C)C(C)CC2O	InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3
HMDB33226	10-Hydroxyfenchone; (1S,4R)-form, O-b-D-Glucopyranoside	CC1(C)C2CCC(COC3OC(CO)C(O)C(O)C3O)(C2)C1=O	InChI=1S/C16H26O7/c1-15(2)8-3-4-16(5-8,14(15)21)7-22-13-12(20)11(19)10(18)9(6-17)23-13/h8-13,17-20H,3-7H2,1-2H3
HMDB33227	Curcolonol	CC1=COC2=C1C(=O)C1C(C)(O)CCC(O)C1(C)C2	InChI=1S/C15H20O4/c1-8-7-19-9-6-14(2)10(16)4-5-15(3,18)13(14)12(17)11(8)9/h7,10,13,16,18H,4-6H2,1-3H3
HMDB33224	5-Hydroxyfenchone; (1R,4R,5S)-form, O-b-D-Glucopyranoside	CC1(C)C2CC(C)(CC2OC2OC(CO)C(O)C(O)C2O)C1=O	InChI=1S/C16H26O7/c1-15(2)7-4-16(3,14(15)21)5-8(7)22-13-12(20)11(19)10(18)9(6-17)23-13/h7-13,17-20H,4-6H2,1-3H3
HMDB33225	6-Hydroxyfenchone; (1R,4S,6R)-form, O-b-D-Glucopyranoside	CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O	InChI=1S/C16H26O7/c1-15(2)7-4-9(16(3,5-7)14(15)21)23-13-12(20)11(19)10(18)8(6-17)22-13/h7-13,17-20H,4-6H2,1-3H3
HMDB33222	6,9-Dihydroxyfenchone; (1R,3S,4S,6R)-form, 6-O-b-D-Glucopyranoside	CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O	InChI=1S/C16H26O8/c1-15-4-7(16(2,6-18)14(15)22)3-9(15)24-13-12(21)11(20)10(19)8(5-17)23-13/h7-13,17-21H,3-6H2,1-2H3
HMDB33223	9,10-Dihydroxyfenchone; (1S,3S,4R)-form, 10-O-b-D-Glucopyranoside	CC1(CO)C2CCC(COC3OC(CO)C(O)C(O)C3O)(C2)C1=O	InChI=1S/C16H26O8/c1-15(6-18)8-2-3-16(4-8,14(15)22)7-23-13-12(21)11(20)10(19)9(5-17)24-13/h8-13,17-21H,2-7H2,1H3
HMDB33220	2,6-Fenchanediol; (1R,2R,4S,6R)-form, 2-O-b-D-Glucopyranoside	CC1(C)C2CC(O)C(C)(C2)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-15(2)7-4-9(18)16(3,5-7)14(15)23-13-12(21)11(20)10(19)8(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3
HMDB33221	2,5-Fenchanediol; (1R,2S,4R,5S)-form, 2-O-b-D-Glucopyranoside	CC1(C)C2CC(C)(CC2O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-15(2)7-4-16(3,5-8(7)18)14(15)23-13-12(21)11(20)10(19)9(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3
HMDB41652	3',4',7-Trihydroxyisoflavan	[H]OC1=C([H])C([H])=C2C(OC([H])([H])C([H])(C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])C2([H])[H])=C1[H]	InChI=1S/C15H14O4/c16-12-3-1-10-5-11(8-19-15(10)7-12)9-2-4-13(17)14(18)6-9/h1-4,6-7,11,16-18H,5,8H2
HMDB41653	3'-Hydroxy-3,4,5,4'-tetramethoxystilbene	[H]OC1=C([H])C(\C([H])=C(/[H])C2=C([H])C(O[H])=C(OC([H])([H])[H])C(=C2[H])C([H])([H])O[H])=C([H])C([H])=C1OC([H])([H])[H]	InChI=1S/C17H18O5/c1-21-16-6-5-11(8-14(16)19)3-4-12-7-13(10-18)17(22-2)15(20)9-12/h3-9,18-20H,10H2,1-2H3/b4-3+
HMDB41650	2-Hydroxyenterolactone	[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])C([H])([H])OC(=O)[C@]1([H])C([H])([H])C1=C(O[H])C(O[H])=C([H])C([H])=C1[H]	InChI=1S/C18H18O5/c19-14-5-1-3-11(8-14)7-13-10-23-18(22)15(13)9-12-4-2-6-16(20)17(12)21/h1-6,8,13,15,19-21H,7,9-10H2/t13-,15+/m0/s1
HMDB41651	3',4',5,7-Tetrahydroxyisoflavanone	[H]OC1=C([H])C(O[H])=C2C(OC([H])([H])C([H])(C2=O)C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])=C1[H]	InChI=1S/C15H12O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-5,9,16-19H,6H2
HMDB41656	3'-Hydroxydihydrodaidzein	[H]OC1=C([H])C([H])=C2C(OC([H])([H])C([H])(C2=O)C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])=C1[H]	InChI=1S/C15H12O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-6,11,16-18H,7H2
HMDB41657	3'-Hydroxyequol	[H]OC1=C([H])C([H])=C2C(OC([H])([H])[C@]([H])(C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])C2([H])[H])=C1[H]	InChI=1S/C15H14O4/c16-12-3-1-10-5-11(8-19-15(10)7-12)9-2-4-13(17)14(18)6-9/h1-4,6-7,11,16-18H,5,8H2/t11-/m1/s1
HMDB41654	3'-Hydroxy-O-desmethylangolensin	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])(C(=O)C1=C(O[H])C(O[H])=C(O[H])C([H])=C1[H])C([H])([H])[H]	InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)13(18)11-6-7-12(17)15(20)14(11)19/h2-8,16-17,19-20H,1H3
HMDB41655	3'-Hydroxydaidzein	[H]OC1=C([H])C([H])=C2C(=O)C(=C([H])OC2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
HMDB41658	3'-Hydroxygenistein	[H]OC1=C([H])C2=C(C(=O)C(=C([H])O2)C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C(O[H])=C1[H]	InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H
HMDB41659	3'-O-Methyl-(-)-epicatechin 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O3)C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)23)19-13(25)7-10-12(24)5-9(6-14(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1
HMDB46608	TG(22:0/24:1(15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,60H,4-14,16-17,19-23,25,27-59H2,1-3H3/b18-15-,26-24-
HMDB46609	TG(22:0/24:1(15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,62H,4-20,22-23,26,28-61H2,1-3H3/b24-21-,27-25-
HMDB49407	TG(18:1(11Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,21-22,24,28,31,56H,4-18,20,23,25-27,29-30,32-55H2,1-3H3/b22-19-,24-21-,31-28-
HMDB49406	TG(18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,31-32,34,37,40,46,49,59H,4-6,8-9,11-15,17-18,22,26-27,30,33,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,40-37-,49-46-
HMDB49405	TG(18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,31-32,34,37,40,59H,4-6,8-9,11-15,17-18,22,26-27,30,33,35-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,40-37-
HMDB49404	TG(18:1(11Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,32-33,35,41,44,57H,4-6,8-9,11-15,17-18,22,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,35-33-,44-41-
HMDB49403	TG(18:1(11Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,32-33,35,57H,4-6,8-9,11-15,17-18,22,26-27,30-31,34,36-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,35-33-
HMDB49402	TG(18:1(11Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,19-22,24,26,28-29,31,35,38,55H,4-7,9-10,12-16,18,23,25,27,30,32-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,29-26-,31-28-,38-35-
HMDB49401	TG(18:1(11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,19-22,24,26,28-29,31,55H,4-7,9-10,12-16,18,23,25,27,30,32-54H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,29-26-,31-28-
HMDB49400	TG(18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,31-32,34,37,40,46,49,59H,4-15,17-18,22,26-27,30,33,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,40-37-,49-46-
HMDB12824	5-Oxo-6-trans-leukotriene B4	CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C\C(=O)CCCC(O)=O	InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-/m1/s1
HMDB49409	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-19,21-22,26-27,29-30,36,39,54H,4-17,20,23-25,28,31-35,37-38,40-53H2,1-3H3/b21-18-,22-19-,29-26-,30-27-,39-36-
HMDB49408	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-23,27,30,36,39,54H,4-17,24-26,28-29,31-35,37-38,40-53H2,1-3H3/b21-18-,22-19-,23-20-,30-27-,39-36-
HMDB33594	Cuelure	CC(=O)CCC1=CC=C(OC(C)=O)C=C1	InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3
HMDB33595	(3beta,4alpha,5alpha,9beta)-4,14-Dimethyl-9,19-cycloergost-24-en-3-ol	CC(CCC(C)=C(C)C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C	InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h21-26,31H,8-18H2,1-7H3
HMDB33596	(3xi,4alpha,5alpha,14alpha)-4,14-Dimethylergosta-8,24-dien-3-ol	CC(CCC(C)=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3	InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h21-24,27,31H,9-18H2,1-8H3
HMDB33597	4-(4-Methoxyphenyl)-2-butanone	COC1=CC=C(CCC(C)=O)C=C1	InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
HMDB33590	(R)-Methysticin	COC1=CC(=O)OC(C1)\C=C/C1=CC2=C(OCO2)C=C1	InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2-
HMDB33591	Safrole	C=CCC1=CC2=C(OCO2)C=C1	InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
HMDB33592	(R)C(S)S-Alliin	NC(CS(=O)CC=C)C(O)=O	InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
HMDB33593	6''-O-Galloylquercimeritrin	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC3=C(C(O)=C2)C(=O)C(O)=C(O3)C2=CC(O)=C(O)C=C2)C1O	InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2
HMDB41380	Garciduol A	COC1=CC(O)=C(C(=O)C2=CC=CC=C2)C(O)=C1C1=C(O)C2=C(OC3=C(C=CC=C3O)C2=O)C(O)=C1	InChI=1S/C27H18O9/c1-35-18-11-16(29)20(22(31)12-6-3-2-4-7-12)25(34)19(18)14-10-17(30)27-21(24(14)33)23(32)13-8-5-9-15(28)26(13)36-27/h2-11,28-30,33-34H,1H3
HMDB41381	Garciduol B	COC1=CC(O)=C(C(=O)C2=CC(O)=CC=C2)C(O)=C1C1=C(O)C2=C(OC3=C(C=CC=C3O)C2=O)C(O)=C1	InChI=1S/C27H18O10/c1-36-18-10-16(30)20(22(32)11-4-2-5-12(28)8-11)25(35)19(18)14-9-17(31)27-21(24(14)34)23(33)13-6-3-7-15(29)26(13)37-27/h2-10,28-31,34-35H,1H3
HMDB41382	(S)-8-Prenylphaseollinisoflavan	CC(C)=CCC1=C(O)C=CC2=C1OCC(C2)C1=C(O)C2=C(OC(C)(C)C=C2)C=C1	InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-6-16-13-17(14-28-24(16)19)18-8-10-22-20(23(18)27)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3
HMDB41383	Isorhamnetin 3-beta-laminaribioside	COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)32)24-26(20(36)17-12(33)5-10(31)6-14(17)41-24)45-28-23(39)25(19(35)16(8-30)43-28)44-27-22(38)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,25,27-35,37-39H,7-8H2,1H3
HMDB33598	N5-(4-Methoxybenzyl)glutamine	COC1=CC=C(CNC(=O)CCC(N)C(O)=O)C=C1	InChI=1S/C13H18N2O4/c1-19-10-4-2-9(3-5-10)8-15-12(16)7-6-11(14)13(17)18/h2-5,11H,6-8,14H2,1H3,(H,15,16)(H,17,18)
HMDB33599	Vignatic acid A	CC(C)CC(O)C(=O)NC1C(OC2=CC=C(CC(NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C=C2)C(C)C	InChI=1S/C30H39N3O7/c1-17(2)14-24(34)28(36)33-25-26(18(3)4)40-21-12-10-20(11-13-21)16-23(30(38)39)32-27(35)22(31-29(25)37)15-19-8-6-5-7-9-19/h5-13,17-18,22-26,34H,14-16H2,1-4H3,(H,31,37)(H,32,35)(H,33,36)(H,38,39)
HMDB41386	Gancaonin X	COC1=CC(O)=C(C=C1)C1COC2=CC3=C(C=CC(C)(C)O3)C=C2C1	InChI=1S/C21H22O4/c1-21(2)7-6-13-8-14-9-15(12-24-19(14)11-20(13)25-21)17-5-4-16(23-3)10-18(17)22/h4-8,10-11,15,22H,9,12H2,1-3H3
HMDB41387	Quercetin 3-(2-caffeoylglucuronoside)	OC1C(O)C(OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C30H24O16/c31-13-9-18(36)21-19(10-13)43-25(12-3-5-15(33)17(35)8-12)26(22(21)38)45-30-28(24(40)23(39)27(46-30)29(41)42)44-20(37)6-2-11-1-4-14(32)16(34)7-11/h1-10,23-24,27-28,30-36,39-40H,(H,41,42)/b6-2+
HMDB50401	TG(20:1(11Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,61H,4-14,16-17,19-23,25,28,30-60H2,1-3H3/b18-15-,27-24-,29-26-
HMDB50400	TG(20:1(11Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,40,43,60H,4-17,19-20,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b21-18-,29-26-,34-27-,43-40-
HMDB50403	TG(20:1(11Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36,39,45,48,62H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-
HMDB50402	TG(20:1(11Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36,39,62H,4-16,18-19,21-25,28,31-35,37-38,40-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-
HMDB50405	TG(20:1(11Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,42,45,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,45-42-
HMDB50404	TG(20:1(11Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,64H,4-15,17-18,20-24,26,29,31-63H2,1-3H3/b19-16-,28-25-,30-27-
HMDB50407	TG(20:1(11Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-
HMDB50406	TG(20:1(11Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,42,45,51,54,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,45-42-,54-51-
HMDB50409	TG(20:1(11Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-
HMDB50408	TG(20:1(11Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,40,43,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,43-40-
HMDB43933	TG(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,43,46,56H,4-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,30-29-,37-34-,46-43-
HMDB32173	Bakers yeast extract	OC(=O)CC1C2=CC=CC=C2C2=C1C1=CC=CC=C1C=C2	InChI=1S/C19H14O2/c20-18(21)11-17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)19(16)17/h1-10,17H,11H2,(H,20,21)
HMDB32172	Ammonium citrate, dibasic	[NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O	InChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
HMDB32175	N-Benzoylanthranilic acid	OC(=O)C1=CC=CC=C1NC(=O)C1=CC=CC=C1	InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
HMDB32174	Benzaldehyde glyceryl acetal	OC1COC(OC1)C1=CC=CC=C1	InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
HMDB32177	Benzyl trans-2-methyl-2-butenoate	C\C=C(/C)C(=O)OCC1=CC=CC=C1	InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
HMDB32176	Benzyl hexanoate	CCCCCC(=O)OCC1=CC=CC=C1	InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
HMDB32179	sec-Butylamine	CCC(C)N	InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
HMDB32178	Butadiene-styrene rubber	C=CC=C.C=CC1=CC=CC=C1	InChI=1S/C8H8.C4H6/c1-2-8-6-4-3-5-7-8;1-3-4-2/h2-7H,1H2;3-4H,1-2H2
HMDB47557	TG(24:0/18:3(9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,40,66H,4-8,10-11,13-17,19-20,22-26,28-39,41-65H2,1-3H3/b12-9-,21-18-,40-27-
HMDB47556	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,52,55,65H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-51,53-54,56-64H2,1-3H3/b20-17-,29-26-,38-35-,46-43-,55-52-
HMDB47555	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-
HMDB47554	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-
HMDB47553	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB47552	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,39-40,43,45,48,54,57,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-
HMDB47551	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,37-38,43-44,46-47,52,55,64H,4-8,10-11,13-16,19,22-25,28,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-
HMDB47550	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,37-38,43,46,52,55,64H,4-8,10-11,13-16,19,22-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,55-52-
HMDB58732	CL(18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB47559	TG(24:0/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-
HMDB47558	TG(24:0/18:3(9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-
HMDB58069	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,40,42,44-45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,28-30,32,35,39,41,43,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB03379	Triphosphate	[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O	InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-5
HMDB03378	Nitric oxide	N#[O]	InChI=1S/NO/c1-2
HMDB03371	L-Ribulose	OCC1(O)OC[C@@H](O)[C@@H]1O	InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1
HMDB03377	Itaconyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=C)C(O)=O	InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,36-37H,1,4-10H2,2-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,18-,19-,20?,24-/m1/s1
HMDB03375	D-Limonene	CC(=C)[C@H]1CCC(C)=CC1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
HMDB03374	D-Ornithine	NCCC[C@@H](N)C(O)=O	InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
HMDB52219	TG(24:1(15Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,42-43,45-46,52,55,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-
HMDB55249	TG(18:3(9Z,12Z,15Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,40,46,49,62H,4-7,10,13-16,19,22-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,49-46-
HMDB55244	TG(18:3(9Z,12Z,15Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,40,43,49,52,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-
HMDB55245	TG(18:3(9Z,12Z,15Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-
HMDB55246	TG(18:3(9Z,12Z,15Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,34-35,60H,4-7,10,13-16,19,22-24,29-33,36-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-
HMDB55247	TG(18:3(9Z,12Z,15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,34-35,40,43,60H,4-7,10,13-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-
HMDB55240	TG(18:3(9Z,12Z,15Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,32-33,38,41,58H,4-7,10,13-16,19,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-
HMDB55241	TG(18:3(9Z,12Z,15Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,38,60H,4-7,10,13-16,19,22-24,30-33,36-37,39-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-
HMDB52214	TG(24:1(15Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,38,41,62H,4-8,10-11,13-16,19,22-24,30-35,37,39-40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-
HMDB55968	DG(14:0/0:0/18:3n6)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,20,22,33,36H,3-10,12,14-15,18-19,21,23-32H2,1-2H3/b13-11-,17-16-,22-20-
HMDB52215	TG(24:1(15Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,38,41-42,45,62H,4-8,10-11,13-16,19,22-24,30-35,37,39-40,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-
HMDB38128	()-Sphaerosin	COC1=C(O)C=CC(C2COC3=CC(O)=CC=C3C2)=C1OC	InChI=1S/C17H18O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
HMDB43873	TG(16:0/15:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,51H,4-15,17-18,20-24,27,29,31-50H2,1-3H3/b19-16-,26-25-,30-28-
HMDB38120	Ovalicin	COC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CC=C(C)C	InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3
HMDB38121	1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane	CC12C3CC(CC13)C2(C)C	InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3
HMDB38122	Curcumol	CC(C)C1CC23OC1(O)CC(=C)C2CCC3C	InChI=1S/C15H24O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9,11-13,16H,3,5-8H2,1-2,4H3
HMDB38123	1,5-Epoxy-4(14)-salvialene	CC(C)C1CCC2(C)C3CCC(=C)C(O3)C12	InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3
HMDB38124	beta-Panasinsene	CC1(C)CC23C1CCC2(C)CCCC3=C	InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3
HMDB38125	1,4,9-Cadinatriene	CC(C)C1CC=C(C)C2=CCC(C)=CC12	InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6-7,9-10,13,15H,5,8H2,1-4H3
HMDB38126	Genipinic acid	COC(=O)C(C1CCC2=C1C(O)OC2)C(O)=O	InChI=1S/C11H14O6/c1-16-10(14)8(9(12)13)6-3-2-5-4-17-11(15)7(5)6/h6,8,11,15H,2-4H2,1H3,(H,12,13)
HMDB38127	Lupinisoflavone A	CC(=C)C1CC2=C(O1)C=C1OC=C(C(=O)C1=C2O)C1=CC=C(O)C=C1O	InChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3
HMDB35336	3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid; (3a,5a,7a,15a,22S,24E)-form, 3,15,22-Tri-Ac	CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O	InChI=1S/C36H54O9/c1-19(32(41)42)11-12-27(43-21(3)37)20(2)25-17-30(45-23(5)39)36(10)31-24(13-16-35(25,36)9)34(8)15-14-29(44-22(4)38)33(6,7)28(34)18-26(31)40/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+
HMDB35337	Sterebin A	CC(=O)\C=C\C1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C	InChI=1S/C18H30O4/c1-11(19)7-8-12-17(4)10-6-9-16(2,3)14(17)13(20)15(21)18(12,5)22/h7-8,12-15,20-22H,6,9-10H2,1-5H3/b8-7+
HMDB35334	Ganodermic acid Jb	CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-25,31-32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+
HMDB35335	(24E)-3alpha-Acetoxy-15alpha,22S-dihydroxylanosta-7,9(11),24-trien-26-oic acid	CC(C(O)C\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(34)19(2)23-17-26(35)32(8)22-10-12-25-29(4,5)27(38-20(3)33)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+
HMDB35332	Ganoderic acid X	CC(CC\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+
HMDB35333	Ganoderic acid Me	CC(CC\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/b21-12+
HMDB02299	(R)-b-aminoisobutyric acid	C[C@H](CN)C(O)=O	InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
HMDB35331	Ganoderic acid Md	COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)CCC(C(C)C(C\C=C(\C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O	InChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11-
HMDB02297	cis-y,y-Carotene	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C	InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11-,25-15+,26-16+,31-17+,32-18+,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+
HMDB02294	Resolvin D2	CC\C=C/C[C@H](O)C(O)\C=C\C=C\C=C/C=C/[C@H](O)C\C=C/CCC(O)=O	InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1
HMDB54115	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,32,34,40,43,56H,4-7,9-10,12-15,18,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-
HMDB35338	Sterebin B	CC(=O)OC1C(O)C(C)(O)C(\C=C\C(C)=O)C2(C)CCCC(C)(C)C12	InChI=1S/C20H32O5/c1-12(21)8-9-14-19(5)11-7-10-18(3,4)16(19)15(25-13(2)22)17(23)20(14,6)24/h8-9,14-17,23-24H,7,10-11H2,1-6H3/b9-8+
HMDB02290	Arsenic	[As+3]	InChI=1S/As/q+3
HMDB43874	TG(16:0/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,35,38,51H,4-15,17-18,20-24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,26-25-,30-28-,38-35-
HMDB54114	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-15,18,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB36678	alpha-Bergamotene	CC(C)=CCCC1(C)[C@H]2C[C@@H]1C(C)=CC2	InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15?/m1/s1
HMDB36679	Faurinone	CC(C)C1CCC2(C)CCCC2C1C(C)=O	InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3
HMDB36676	12beta-20-Ursen-12-ol	CC1C2C3C(O)CC4C5(C)CCCC(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C	InChI=1S/C30H50O/c1-19-10-14-27(5)16-17-30(8)25(24(27)20(19)2)21(31)18-23-28(6)13-9-12-26(3,4)22(28)11-15-29(23,30)7/h10,20-25,31H,9,11-18H2,1-8H3
HMDB36677	Strigol	CC1=CC(O\C=C2/C3CC4=C(C3OC2=O)C(C)(C)CCC4O)OC1=O	InChI=1S/C19H22O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/b12-8+
HMDB36674	Ursololactone	CC1CCC23CCC4(C)C(CCC5C6(C)CCC(OC(C)=O)C(C)(C)C6CCC45C)(OC2=O)C3C1C	InChI=1S/C32H50O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h19-20,22-25H,9-18H2,1-8H3
HMDB36675	3beta-Hydroxy-28,13-ursanolide	CC1CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC45C)(OC2=O)C3C1C	InChI=1S/C30H48O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h18-23,31H,8-17H2,1-7H3
HMDB36672	3alpha-Acetoxy-11-keto-beta-boswellic acid	CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C	InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)
HMDB36673	3,11-Dihydroxy-12-ursen-24-oic acid; (3a,11a)-form, 11-Ketone, 3-Ac, Me ester	COC(=O)C1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3C(C)C(C)CCC3(C)CCC12C)OC(C)=O	InChI=1S/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3
HMDB36670	6beta-Hydroxyasiatic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O	InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)
HMDB36671	11-Keto-beta-boswellic acid	[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C	InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
HMDB58773	CL(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,29-30,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB13962	D-617	CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(OC)C=C1	InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3
HMDB13961	O-Desmethylverapamil	COC1=C(O)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1	InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-24(31-5)25(17-21)32-6)13-7-14-28(3)15-12-20-8-10-23(30-4)22(29)16-20/h8-11,16-17,19,29H,7,12-15H2,1-6H3
HMDB13960	M4	COC1=C(OC)C=C2C(=O)C(CC3CCNCC3)CC2=C1	InChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3
HMDB58777	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58776	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,29,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58775	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-41,43-44,47,51,59,63,80-82,87H,5-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB58774	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,29,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB13969	Zileuton sulfoxide	CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1=O	InChI=1S/C11H12N2O3S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)17(10)16/h2-7,15H,1H3,(H2,12,14)
HMDB13968	Hydroxyzileuton	CC(N(O)C(N)=O)C1=CC2=CC=C(O)C=C2S1	InChI=1S/C11H12N2O3S/c1-6(13(16)11(12)15)9-4-7-2-3-8(14)5-10(7)17-9/h2-6,14,16H,1H3,(H2,12,15)
HMDB44149	TG(16:0/20:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-
HMDB44148	TG(16:0/20:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,58H,4-24,29-57H2,1-3H3/b27-25-,28-26-
HMDB44145	TG(16:0/20:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-27,29,54H,4-24,28,30-53H2,1-3H3/b27-25-,29-26-
HMDB44144	TG(16:0/20:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,54H,4-19,21-22,24,26,28-53H2,1-3H3/b23-20-,27-25-
HMDB44147	TG(16:0/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31,34,40,43,56H,4-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b27-25-,28-26-,34-31-,43-40-
HMDB44141	TG(16:0/20:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26-
HMDB44140	TG(16:0/20:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,58H,4-25,27,29-57H2,1-3H3/b28-26-
HMDB44143	TG(16:0/20:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20,23,25-26,52H,4-19,21-22,24,27-51H2,1-3H3/b23-20-,26-25-
HMDB44142	TG(16:0/20:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,50H,4-14,16-17,19-23,26-49H2,1-3H3/b18-15-,25-24-
HMDB51547	TG(22:1(13Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,36,39,56H,4-16,18-19,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-,39-36-
HMDB51546	TG(22:1(13Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,32,57H,4-19,22,26,29-31,33-56H2,1-3H3/b23-20-,24-21-,27-25-,32-28-
HMDB51545	TG(22:1(13Z)/16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,62H,4-20,22-23,29-61H2,1-3H3/b24-21-,27-25-,28-26-
HMDB51544	TG(22:1(13Z)/16:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-
HMDB32959	1-Octen-3-yl glucoside	CCCCCC(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C14H26O6/c1-3-5-6-7-9(4-2)19-14-13(18)12(17)11(16)10(8-15)20-14/h4,9-18H,2-3,5-8H2,1H3
HMDB32958	3-Octanol, 9CI; (S)-form, O-b-D-Glucopyranoside	CCCCCC(CC)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H28O6/c1-3-5-6-7-9(4-2)19-14-13(18)12(17)11(16)10(8-15)20-14/h9-18H,3-8H2,1-2H3
HMDB32957	2-O-Feruloyltartronic acid	COC1=C(O)C=CC(\C=C\C(=O)OC(C(O)=O)C(O)=O)=C1	InChI=1S/C13H12O8/c1-20-9-6-7(2-4-8(9)14)3-5-10(15)21-11(12(16)17)13(18)19/h2-6,11,14H,1H3,(H,16,17)(H,18,19)/b5-3+
HMDB32956	2-O-p-Coumaroyltartronic acid	OC(=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O	InChI=1S/C12H10O7/c13-8-4-1-7(2-5-8)3-6-9(14)19-10(11(15)16)12(17)18/h1-6,10,13H,(H,15,16)(H,17,18)/b6-3+
HMDB32955	5,7-Dihydroxy-2H-1-benzopyran-2-one, 9CI; 5-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl), 7-O-Me	COC1=CC(OC\C=C(/C)CCC(O)C(C)=C)=C2C=CC(=O)OC2=C1	InChI=1S/C20H24O5/c1-13(2)17(21)7-5-14(3)9-10-24-18-11-15(23-4)12-19-16(18)6-8-20(22)25-19/h6,8-9,11-12,17,21H,1,5,7,10H2,2-4H3/b14-9+
HMDB32954	5-Geranyloxy-7-methoxycoumarin	COC1=CC(OC\C=C(/C)CCC=C(C)C)=C2C=CC(=O)OC2=C1	InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
HMDB32953	7-Methoxy-5-prenyloxycoumarin	COC1=CC(OCC=C(C)C)=C2C=CC(=O)OC2=C1	InChI=1S/C15H16O4/c1-10(2)6-7-18-13-8-11(17-3)9-14-12(13)4-5-15(16)19-14/h4-6,8-9H,7H2,1-3H3
HMDB32952	Citropten	COC1=CC(OC)=C2C=CC(=O)OC2=C1	InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
HMDB32951	4,7-Dihydroxy-2H-1-benzopyran-2-one	OC1=CC=C2C(O)=CC(=O)OC2=C1	InChI=1S/C9H6O4/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,10-11H
HMDB32950	5,7-Dihydroxy-4H-1-benzopyran-4-one	OC1=CC2=C(C(O)=C1)C(=O)C=CO2	InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H
HMDB51541	TG(22:1(13Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,36,39,58H,4-6,8-9,11-14,17,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,39-36-
HMDB51540	TG(22:1(13Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,39,42,56H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,42-39-
HMDB45863	TG(20:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28-29,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-,50-47-
HMDB47018	TG(24:0/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,34,36,41,44,58H,4-16,18-19,21-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b20-17-,27-25-,36-34-,44-41-
HMDB09159	PE(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,39H,3-4,6,8-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,14-12-,19-17-,20-18-/t39-/m1/s1
HMDB09158	PE(18:3(9Z,12Z,15Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,39H,3-4,6,8-10,12,14-16,21-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-,20-18-/t39-/m1/s1
HMDB09151	PE(18:3(9Z,12Z,15Z)/14:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,35H,3-4,6,8-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,17-16-/t35-/m1/s1
HMDB09150	PE(18:3(6Z,9Z,12Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,33,36,40H,3-11,13,15-16,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB09153	PE(18:3(9Z,12Z,15Z)/15:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36H,3-4,6,8-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-/t36-/m1/s1
HMDB09152	PE(18:3(9Z,12Z,15Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,35H,3-4,6,8-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b7-5-,12-10-,13-11-,17-16-/t35-/m1/s1
HMDB09155	PE(18:3(9Z,12Z,15Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37H,3-4,6,8-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-/t37-/m1/s1
HMDB09154	PE(18:3(9Z,12Z,15Z)/16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37H,3-4,6,8-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-/t37-/m1/s1
HMDB09157	PE(18:3(9Z,12Z,15Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,39H,3-4,6,8-10,12,15,18,20-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,19-17-/t39-/m1/s1
HMDB09156	PE(18:3(9Z,12Z,15Z)/18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39H,3-4,6,8-10,12,14-16,18,20-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-/t39-/m1/s1
HMDB37208	Populnin; 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-6-O-acetyl-b-D-galactopyranoside]	CC(=O)OCC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C35H42O22/c1-11(38)50-10-19-23(43)27(47)32(57-34-29(49)26(46)22(42)18(9-37)54-34)35(55-19)56-31-24(44)20-15(40)6-14(51-33-28(48)25(45)21(41)17(8-36)53-33)7-16(20)52-30(31)12-2-4-13(39)5-3-12/h2-7,17-19,21-23,25-29,32-37,39-43,45-49H,8-10H2,1H3
HMDB37209	alpha-Santalyl acetate	CC(=O)OC\C(C)=C/CCC1(C)C2CC3C(C2)C13C	InChI=1S/C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4/h6,13-15H,5,7-10H2,1-4H3/b11-6-
HMDB37200	Galactaric acid, 9CI, 8CI; 1,4-Lactone, 2-O-(3,4,5-trihydroxybenzoyl), Me ester	COC(=O)C(O)C1OC(=O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C14H14O11/c1-23-13(21)9(19)10-8(18)11(14(22)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3
HMDB37201	3-O-Galloyl-1,4-galactarolactone	OC(C1OC(=O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O	InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)23-10-8(18)13(22)24-9(10)7(17)11(19)20/h1-2,7-10,14-18H,(H,19,20)
HMDB37202	5-O-Galloyl-1,4-galactarolactone	OC1C(O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O	InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10(11(19)20)9-7(17)8(18)13(22)23-9/h1-2,7-10,14-18H,(H,19,20)
HMDB37203	5-Methoxy-galloyl-1,4-galactarolactone	COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O)C1O	InChI=1S/C14H14O11/c1-23-14(22)11(10-8(18)9(19)13(21)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3
HMDB37204	3,5-Di-O-galloyl-1,4-galactarolactone	OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC1=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O	InChI=1S/C20H16O15/c21-7-1-5(2-8(22)11(7)25)18(30)33-14-13(27)20(32)34-15(14)16(17(28)29)35-19(31)6-3-9(23)12(26)10(24)4-6/h1-4,13-16,21-27H,(H,28,29)
HMDB37205	(2R)-2-Hydroxy-2-phenylethyl glucosinolate	OCC1OC(S\C(CC(O)C2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+
HMDB37206	Isoscoparin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl], 4'-O-b-D-glucopyranoside	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C=C4OC(=CC(=O)C4=C3O)C3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)=CC=C1O	InChI=1S/C44H50O24/c1-60-23-9-16(3-6-18(23)47)4-8-29(50)62-15-28-34(53)37(56)40(59)44(67-28)68-42-38(57)33(52)26(13-45)64-41(42)31-20(49)12-25-30(35(31)54)19(48)11-22(63-25)17-5-7-21(24(10-17)61-2)65-43-39(58)36(55)32(51)27(14-46)66-43/h3-12,26-28,32-34,36-47,49,51-59H,13-15H2,1-2H3/b8-4+
HMDB37207	Populnin; 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-b-D-galactopyranoside]	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2
HMDB14759	Oxandrolone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C	InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
HMDB14758	Triamcinolone	[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
HMDB14755	Paramethadione	CCC1(C)OC(=O)N(C)C1=O	InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3
HMDB14754	Candoxatril	COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1	InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1
HMDB14757	Imatinib	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1	InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
HMDB14756	Demeclocycline	[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O	InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1
HMDB14751	Amodiaquine	CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1	InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
HMDB14750	Bisoprolol	CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1	InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
HMDB14753	Rifabutin	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21	InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1
HMDB14752	Furazolidone	[O-][N+](=O)C1=CC=C(O1)C=NN1CCOC1=O	InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+
HMDB29584	3-O-Methylcoumestrol	COC1=CC=C2C3=C(C4=C(O3)C=C(O)C=C4)C(=O)OC2=C1	InChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3
HMDB29585	10-Undecenoic acid, 9CI; Me ester	COC(=O)CCCCCCCCC=C	InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
HMDB29586	Octadecylamine	CCCCCCCCCCCCCCCCCCN	InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
HMDB29587	Lansiol	CC(CC(C)C(C)(C)C(C)=C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C33H56O/c1-21(2)29(5,6)23(4)20-22(3)24-14-18-33(11)26-12-13-27-30(7,8)28(34)16-17-31(27,9)25(26)15-19-32(24,33)10/h15,22-24,26-28,34H,1,12-14,16-20H2,2-11H3
HMDB29580	Dimethyl carbonate	COC(=O)OC	InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
HMDB29581	(2E,4E)-2,4-Hexadienoic acid	C\C=C\C=C\C(O)=O	InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
HMDB29582	Methyl sorbate	COC(=O)\C=C\C=C\C	InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
HMDB29583	Lycopersiconol	CC(=O)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC12C	InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3
HMDB28916	Isoleucyl-Serine	CCC(C)C(NC(=O)C(N)CO)C(O)=O	InChI=1S/C9H18N2O4/c1-3-5(2)7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
HMDB34084	Canesceol	CC1OC(OC2CCC3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O	InChI=1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3
HMDB28910	Isoleucyl-Isoleucine	CCC(C)C(N)C(=O)NC(C(C)CC)C(O)=O	InChI=1S/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
HMDB28911	Isoleucyl-Leucine	CCC(C)C(NC(=O)C(N)CC(C)C)C(O)=O	InChI=1S/C12H24N2O3/c1-5-8(4)10(12(16)17)14-11(15)9(13)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
HMDB28912	Isoleucyl-Lysine	CCC(C)C(NC(=O)C(N)CCCCN)C(O)=O	InChI=1S/C12H25N3O3/c1-3-8(2)10(12(17)18)15-11(16)9(14)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)
HMDB28913	Isoleucyl-Methionine	CCC(C)C(NC(=O)C(N)CCSC)C(O)=O	InChI=1S/C11H22N2O3S/c1-4-7(2)9(11(15)16)13-10(14)8(12)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
HMDB38946	3-Mercapto-1-hexanol; (S)-form, S-Me, O-butanoyl	CCCC(CCOC(=O)CCC)SC	InChI=1S/C11H22O2S/c1-4-6-10(14-3)8-9-13-11(12)7-5-2/h10H,4-9H2,1-3H3
HMDB38947	3-Mercapto-1-hexanol; (S)-form, S-Me, O-hexanoyl	CCCCCC(=O)OCCC(CCC)SC	InChI=1S/C13H26O2S/c1-4-6-7-9-13(14)15-11-10-12(16-3)8-5-2/h12H,4-11H2,1-3H3
HMDB38944	Avenanthramide E	COC1=C(O)C=CC(\C=C/C(=O)NC2=C(C=CC=C2)C(O)=O)=C1	InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7-
HMDB38945	3-Mercapto-1-hexanol; (S)-form, O-Pentanoyl	CCCCC(=O)OCCC(S)CCC	InChI=1S/C11H22O2S/c1-3-5-7-11(12)13-9-8-10(14)6-4-2/h10,14H,3-9H2,1-2H3
HMDB38942	2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid; ()-form, Me ester	COC(=O)CC1(O)C(=O)NC2=C1C=C(O)C=C2	InChI=1S/C11H11NO5/c1-17-9(14)5-11(16)7-4-6(13)2-3-8(7)12-10(11)15/h2-4,13,16H,5H2,1H3,(H,12,15)
HMDB38943	(E)-Avenanthramide D	OC(=O)C1=C(NC(=O)\C=C/C2=CC=C(O)C=C2)C=CC=C1	InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7-
HMDB38940	(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid	CCC(=O)C(=O)CCCC(O)CC(=O)CCCCCCCC(O)=O	InChI=1S/C18H30O6/c1-2-16(21)17(22)11-8-10-15(20)13-14(19)9-6-4-3-5-7-12-18(23)24/h15,20H,2-13H2,1H3,(H,23,24)
HMDB38941	(R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid	OC(=O)CC1(O)C(=O)NC2=C1C=C(O)C=C2	InChI=1S/C10H9NO5/c12-5-1-2-7-6(3-5)10(16,4-8(13)14)9(15)11-7/h1-3,12,16H,4H2,(H,11,15)(H,13,14)
HMDB42257	TG(14:0/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,25,32,37,40,56H,4-16,18-19,21-24,26-31,33-36,38-39,41-55H2,1-3H3/b20-17-,32-25-,40-37-
HMDB42256	TG(14:0/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-27-25-23-20-17-14-11-8-5-2/h20,23,27,33,57H,4-19,21-22,24-26,28-32,34-56H2,1-3H3/b23-20-,33-27-
HMDB42255	TG(14:0/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,62H,4-23,25,27-61H2,1-3H3/b26-24-
HMDB42254	TG(14:0/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-
HMDB42253	TG(14:0/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h25,27,34,36,42,45,58H,4-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b27-25-,36-34-,45-42-
HMDB42252	TG(14:0/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB38948	3-Mercaptohexyl butyrate	CCCC(S)CCOC(=O)CCC	InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3
HMDB38949	3beta,6beta-Dihydroxynortropane	OC1CC2CC(O)CC1N2	InChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2
HMDB54116	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,32,34,36,39-40,43,56H,4-7,9-10,12-15,18,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB46617	TG(22:0/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,44,47,64H,4-17,19-20,22-24,26,29-37,39-43,45-46,48-63H2,1-3H3/b21-18-,28-25-,38-27-,47-44-
HMDB46616	TG(22:0/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,39,65H,4-20,22-23,26-27,29,31-38,40-64H2,1-3H3/b24-21-,28-25-,39-30-
HMDB51899	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB51898	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB10724	3-Oxodecanoic acid	CCCCCCCC(=O)CC(O)=O	InChI=1S/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2-8H2,1H3,(H,12,13)
HMDB10725	(R)-3-Hydroxydecanoic acid	[H][C@@](O)(CCCCCCC)CC(O)=O	InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1
HMDB10726	trans-Dec-2-enoic acid	CCCCCCC\C=C\C(O)=O	InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
HMDB10727	3-Oxododecanoic acid	CCCCCCCCCC(=O)CC(O)=O	InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)
HMDB10720	But-2-enoic acid	C\C=C\C(O)=O	InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
HMDB10721	3-Oxooctanoic acid	CCCCCC(=O)CC(O)=O	InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
HMDB10722	(R)-3-Hydroxyoctanoic acid	[H][C@@](O)(CCCCC)CC(O)=O	InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
HMDB10728	(R)-3-Hydroxydodecanoic acid	[H][C@@](O)(CCCCCCCCC)CC(O)=O	InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
HMDB10729	trans-Dodec-2-enoic acid	CCCCCCCCC\C=C\C(O)=O	InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
HMDB58877	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-47-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-46,48-49,51-53,55,60-61,63-65,67,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,47,50,54,56-59,62,66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,52-48-,53-49-,55-51-,64-60-,65-61-,67-63-/t84?,85-,86-/m1/s1
HMDB51897	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,10,13-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB13192	3a,7b,21-Trihydroxy-5b-cholanoic acid	C[C@]12CCC3C(C1CCC2[C@H](O)C(O)CCC(O)=O)[C@@H](O)CC1C[C@H](O)CC[C@]31C	InChI=1S/C24H40O6/c1-23-9-7-14(25)11-13(23)12-19(27)21-15-3-4-17(24(15,2)10-8-16(21)23)22(30)18(26)5-6-20(28)29/h13-19,21-22,25-27,30H,3-12H2,1-2H3,(H,28,29)/t13?,14-,15?,16?,17?,18?,19+,21?,22+,23+,24+/m1/s1
HMDB51896	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,37-38,41,43,46,52,55,64H,4-7,10,13-16,19,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB13195	4-Aminobiphenyl	NC1=CC=C(C=C1)C1=CC=CC=C1	InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
HMDB13198	4-O-Methylgallic acid	COC1=C(O)C=C(C=C1O)C(O)=O	InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)
HMDB13199	5-Androstene-3alpha-16b,17b-triol	C[C@]12CCC3C(CC=C4C[C@H](O)CC[C@]34C)C1C[C@H](O)[C@@H]2O	InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13?,14?,15?,16+,17+,18+,19+/m1/s1
HMDB58453	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,45,48,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-/t77?,78-,79-/m1/s1
HMDB39310	Uralsaponin B	CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O)C(O)=O	InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-27(48)28(26(47)30(58-35)33(51)52)56-34-25(46)23(44)24(45)29(57-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)
HMDB39311	Neocretanin	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(C=O)C=C2O)C(O)C1O	InChI=1S/C20H20O13/c21-5-7-1-11(24)18(12(25)2-7)33-20-17(29)16(28)15(27)13(32-20)6-31-19(30)8-3-9(22)14(26)10(23)4-8/h1-5,13,15-17,20,22-29H,6H2
HMDB39312	3,4,5-Trimethoxyphenyl 2,6-digalloylglucoside	COC1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC)=C1OC	InChI=1S/C29H30O17/c1-40-18-8-13(9-19(41-2)25(18)42-3)44-29-26(46-28(39)12-6-16(32)22(35)17(33)7-12)24(37)23(36)20(45-29)10-43-27(38)11-4-14(30)21(34)15(31)5-11/h4-9,20,23-24,26,29-37H,10H2,1-3H3
HMDB39313	4-(4-Hydroxyphenyl)-2-butanone, 9CI; O-[3,4,5-Trihydroxybenzoyl-(-&gt;2)-6-O-cinnamoyl-b-D-glucopyranoside]	CC(=O)CCC1=CC=C(OC2OC(COC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1	InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+
HMDB39314	4-(4-Hydroxyphenyl)-2-butanone, 9CI; O-[2,6-Bis(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside]	CC(=O)CCC1=CC=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1	InChI=1S/C30H30O15/c1-13(31)2-3-14-4-6-17(7-5-14)43-30-27(45-29(41)16-10-20(34)24(37)21(35)11-16)26(39)25(38)22(44-30)12-42-28(40)15-8-18(32)23(36)19(33)9-15/h4-11,22,25-27,30,32-39H,2-3,12H2,1H3
HMDB39315	4-(4-Hydroxyphenyl)-2-butanone, 9CI; O-[4-Hydroxy-E-cinnamoyl-(-&gt;6)-[3,4,5-trihydroxybenzoyl-(-&gt;2)]-b-D-glucopyranoside]	CC(=O)CCC1=CC=C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1	InChI=1S/C32H32O13/c1-17(33)2-3-18-6-11-22(12-7-18)43-32-30(45-31(41)20-14-23(35)27(38)24(36)15-20)29(40)28(39)25(44-32)16-42-26(37)13-8-19-4-9-21(34)10-5-19/h4-15,25,28-30,32,34-36,38-40H,2-3,16H2,1H3/b13-8+
HMDB39316	2',4',5,7-Tetrahydroxy-6-prenylisoflavone; 7-O-b-D-Glucopyranoside	CC(C)=CCC1=C(O)C2=C(OC=C(C2=O)C2=CC=C(O)C=C2O)C=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C26H28O11/c1-11(2)3-5-14-17(36-26-25(34)24(33)23(32)19(9-27)37-26)8-18-20(21(14)30)22(31)15(10-35-18)13-6-4-12(28)7-16(13)29/h3-4,6-8,10,19,23-30,32-34H,5,9H2,1-2H3
HMDB39317	Hexadecyl ferulate	CCCCCCCCCCCCCCCCOC(=O)\C=C/C1=CC(OC)=C(O)C=C1	InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-26(28)20-18-23-17-19-24(27)25(22-23)29-2/h17-20,22,27H,3-16,21H2,1-2H3/b20-18-
HMDB39318	Licoricesaponin G2	CC12CCC(C)(CC1C1=CC(=O)C3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O	InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)
HMDB39319	Kaempferol 3-rhamnoside 7-xyloside	CC1OC(OC2=C(OC3=CC(OC4OCC(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)40-24-19(32)16-13(28)6-12(38-25-21(34)18(31)14(29)8-36-25)7-15(16)39-23(24)10-2-4-11(27)5-3-10/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3
HMDB28978	Methionyl-Lysine	CSCCC(NC(=O)C(N)CCCCN)C(O)=O	InChI=1S/C11H23N3O3S/c1-18-7-5-9(11(16)17)14-10(15)8(13)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)
HMDB28979	Methionyl-Methionine	CSCCC(N)C(=O)NC(CCSC)C(O)=O	InChI=1S/C10H20N2O3S2/c1-16-5-3-7(11)9(13)12-8(10(14)15)4-6-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
HMDB28972	Methionyl-Glutamate	CSCCC(NC(=O)C(N)CCC([O-])=O)C(O)=O	InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-9(15)6(11)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/p-1
HMDB28973	Methionyl-Glycine	CSCCC(NC(=O)CN)C(O)=O	InChI=1S/C7H14N2O3S/c1-13-3-2-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
HMDB28970	Methionyl-Cysteine	CSCCC(NC(=O)C(N)CS)C(O)=O	InChI=1S/C8H16N2O3S2/c1-15-3-2-6(8(12)13)10-7(11)5(9)4-14/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13)
HMDB28971	Methionyl-Glutamine	CSCCC(NC(=O)C(N)CCC(N)=O)C(O)=O	InChI=1S/C10H19N3O4S/c1-18-5-4-7(10(16)17)13-9(15)6(11)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB28976	Methionyl-Isoleucine	CCC(C)C(N)C(=O)NC(CCSC)C(O)=O	InChI=1S/C11H22N2O3S/c1-4-7(2)9(12)10(14)13-8(11(15)16)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
HMDB28977	Methionyl-Leucine	CSCCC(NC(=O)C(N)CC(C)C)C(O)=O	InChI=1S/C11H22N2O3S/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
HMDB28974	Methionyl-Hydroxyproline	CSCCC(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C10H18N2O4S/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
HMDB28975	Methionyl-Histidine	CSCCC(NC(=O)C(N)CC1=CN=CN1)C(O)=O	InChI=1S/C11H18N4O3S/c1-19-3-2-9(11(17)18)15-10(16)8(12)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)
HMDB47124	TG(24:0/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
HMDB59148	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-67,70,87-89,94H,5-9,11-13,15-20,29-32,41-42,45-46,50,52,57,59,62,64,68-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-/t87?,88-,89-/m1/s1
HMDB59143	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,68,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-/t85?,86-,87-/m1/s1
HMDB59142	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61-62,66,83-85,90H,5-9,11-13,15-20,24,28-32,39-40,43,47-49,53,55,58-60,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-/t83?,84-,85-/m1/s1
HMDB59141	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-71-75-79-92(97)109-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-50,53-56,59-62,65-67,71,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,51-52,57-58,63-64,68-70,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,54-50-,59-55-,60-56-,65-61-,66-62-,71-67-/t87?,88-,89-/m1/s1
HMDB59140	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-71-75-79-92(97)109-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-50,53-56,59-62,65-66,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,51-52,57-58,63-64,67-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,54-50-,59-55-,60-56-,65-61-,66-62-/t88-,89-/m1/s1
HMDB59147	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64-65,69,86-88,93H,5-9,11-13,15-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,66-68,70-85H2,1-4H3,(H,98,99)(H,100,101)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-,69-65-/t86?,87-,88-/m1/s1
HMDB59146	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63-64,68,85-87,92H,5-9,11-13,15-20,24,28-32,40-41,44,49-50,53,55,57,60-62,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-,68-64-/t85?,86-,87-/m1/s1
HMDB59145	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,68,85-87,92H,5-9,11-13,15-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-/t85?,86-,87-/m1/s1
HMDB59144	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61-62,66,83-85,90H,5-9,11-13,15-20,24,29-31,39-40,43,47-49,53,55,58-60,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-/t83?,84-,85-/m1/s1
HMDB07531	DG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,35,38H,3-4,6,8-9,14-15,18,21-34H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-/t35-/m0/s1
HMDB34556	3-Acetoxy-3-methyl-1-phenylbutane	CC(=O)OC(C)(C)CCC1=CC=CC=C1	InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
HMDB07530	DG(20:4(8Z,11Z,14Z,17Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,35,38H,3-4,6,8-10,12,14-15,18,21-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-/t35-/m0/s1
HMDB11136	19(S)-HETE	C[C@H](O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-/t19-/m0/s1
HMDB11137	11-Epi-PGF2a	CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(O)C1C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16?,17+,18?,19-/m0/s1
HMDB11134	5-HETE	CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
HMDB11135	5-HPETE	CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCC(O)=O)OO	InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+
HMDB11132	1,2-Dioctadecanoyl-3-(galactosyl-B-1-6-galactosyl-B-1)-glycerol	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1OC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C51H96O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h39-41,44-52,55-60H,3-38H2,1-2H3/t39-,40-,41?,44-,45-,46+,47+,48-,49-,50-,51-/m1/s1
HMDB11133	DHAP(18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(O)(O)=O	InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h2-19H2,1H3,(H2,24,25,26)
HMDB11130	LysoPE(18:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1
HMDB11131	MG(18:0/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1
HMDB07532	DG(20:4(8Z,11Z,14Z,17Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,36,39H,3-4,6,8-10,12,14-16,19,22-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-/t36-/m0/s1
HMDB58898	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,36-38,41-45,50-51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,29-30,35,39-40,46-49,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB58899	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB58896	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,46-49,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB07535	DG(20:4(8Z,11Z,14Z,17Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,39,42H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3/b7-5-,13-11-,19-17-,23-22-/t39-/m0/s1
HMDB58894	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-68,71-72,88-90,95H,5-10,12-14,16-20,24,29-31,36,41-43,51-54,58,62-66,69-70,73-87H2,1-4H3,(H,100,101)(H,102,103)/b15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-/t88?,89-,90-/m1/s1
HMDB58895	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-69,71-73,88-90,95H,5-10,12-14,16-20,24,29-31,36,41-43,51-54,58,62-66,70,74-87H2,1-4H3,(H,100,101)(H,102,103)/b15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB58892	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,65-67,69,71,86-88,93H,5-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-64,68,70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-,69-65-,71-67-/t86?,87-,88-/m1/s1
HMDB58893	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-69,71-73,88-90,95H,5-20,24,29-31,36,41-43,51-54,58,62-66,70,74-87H2,1-4H3,(H,100,101)(H,102,103)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB58890	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB07534	DG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,37,40H,3-4,6,8-10,12,15,19,21,23-36H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,22-20-/t37-/m0/s1
HMDB07537	DG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,39,42H,3-4,6,8-10,12,14-16,20,24-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,23-22-/t39-/m0/s1
HMDB07536	DG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,39,42H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-/m0/s1
HMDB35570	6,8-Heneicosanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h3-19H2,1-2H3
HMDB35571	4,6-Heneicosanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-20(22)17-4-2/h3-19H2,1-2H3
HMDB35572	6,8-Icosanedione	CCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-15-17-20(22)18-19(21)16-14-6-4-2/h3-18H2,1-2H3
HMDB35573	5,7-Icosanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCCC	InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h3-18H2,1-2H3
HMDB35574	4,6-Icosanedione	CCCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-4-2/h3-18H2,1-2H3
HMDB42798	TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,24-25,27,33,36,51H,4-7,9-10,12,14-15,18-19,21,23,26,28-32,34-35,37-50H2,1-3H3/b11-8-,16-13-,20-17-,24-22-,27-25-,36-33-
HMDB42799	TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,34,37,52H,4-7,9-10,12-15,18,21-23,27,31-33,35-36,38-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-
HMDB07854	LPA(18:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(O)=O	InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1
HMDB35577	12,14-Dotriacontanedione	CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC	InChI=1S/C32H62O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32(34)30-31(33)28-26-24-22-20-12-10-8-6-4-2/h3-30H2,1-2H3
HMDB38460	Thiiranepropanenitrile	N#CCCC1CS1	InChI=1S/C5H7NS/c6-3-1-2-5-4-7-5/h5H,1-2,4H2
HMDB58238	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,37,39-41,48,52,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35-36,38,42-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,52-48-/t79?,80-,81-/m1/s1
HMDB58239	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,46,50,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-/t77?,78-,79-/m1/s1
HMDB53228	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-36,40-45,62H,4-7,9-10,12-15,22-24,30-31,37-39,46-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-
HMDB53229	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-36,40-45,49,52,62H,4-7,9-10,12-15,22-24,30-31,37-39,46-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-
HMDB53224	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31-33,38-39,41-42,59H,4-6,8-9,11-13,15,20,22,24,29-30,34-37,40,43-58H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,42-39-
HMDB53225	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,38-40,42-43,60H,4-6,8-9,11-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-
HMDB53226	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,38-40,42-44,47,60H,4-6,8-9,11-15,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB53227	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,33,35-36,41-42,44-45,62H,4-7,9-10,12-15,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB53220	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-6,9,12-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB53221	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-6,9,12-15,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB53222	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB53223	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-28,30-33,37-42,58H,4-6,8-9,11-15,22-24,29,34-36,43-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-
HMDB10261	CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-22,24-26,28,33-37,39-41,77-79,84H,5-20,23,27,29-32,38,42-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,28-24-,37-33-,39-34-,40-35-,41-36-/t77?,78-,79-/m1/s1
HMDB10260	CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-22,24-28,31,33-34,36-37,39,41,77-79,84H,5-20,23,29-30,32,35,38,40,42-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,28-24-,31-27-,37-33-,39-34-,41-36-/t77?,78-,79-/m1/s1
HMDB10263	CL(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h22-24,26-28,33-37,39-42,44,52,56,77-79,84H,5-21,25,29-32,38,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22-,27-23-,28-24-,37-33-,39-34-,40-35-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB10262	CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-28,33-37,39-41,77-79,84H,5-20,29-32,38,42-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,28-24-,37-33-,39-34-,40-35-,41-36-/t77?,78-,79-/m1/s1
HMDB10265	CL(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h22-24,26-28,33-38,41-44,46,48,54,58,79-81,86H,5-21,25,29-32,39-40,45,47,49-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b26-22-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,58-54-/t79?,80-,81-/m1/s1
HMDB10264	CL(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h23-24,27-28,33-38,41-44,46,48,54,56,58,60,79-81,86H,5-22,25-26,29-32,39-40,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB10267	CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,23-25,27-28,33-38,41-44,46,48,56,60,79-81,86H,5-20,22,26,29-32,39-40,45,47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB10266	CL(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-28,33-37,39-42,44,77-79,84H,5-20,29-32,38,43,45-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,28-24-,37-33-,39-34-,40-35-,41-36-,44-42-/t77?,78-,79-/m1/s1
HMDB10269	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-28,33-37,39-42,44,52,56,77-79,84H,5-20,29-32,38,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,28-24-,37-33-,39-34-,40-35-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB10268	CL(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-28,33-38,41-44,46,48,79-81,86H,5-20,29-32,39-40,45,47,49-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-/t79?,80-,81-/m1/s1
HMDB42797	TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31-32,34-35,50H,4-7,9-10,12-15,18,21-23,28-30,33,36-49H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-
HMDB55524	TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB46723	TG(22:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,40-41,43-44,50,53,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB46722	TG(22:0/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,40-41,43-44,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-
HMDB46721	TG(22:0/20:3n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,40,43,64H,4-15,17,20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,43-40-
HMDB46720	TG(22:0/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB46727	TG(22:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-7,9-10,12-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB46726	TG(22:0/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,38-39,41,62H,4-7,9-10,12-16,19,22-25,28,31-35,37,40,42-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-
HMDB46725	TG(22:0/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,39-40,43,60H,4-8,10-11,13-16,19,22-25,28,30-33,35,37-38,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-
HMDB52579	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33-35,37-38,44,47,59H,4-15,17-18,20,22-23,27,31-32,36,39-43,45-46,48-58H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,47-44-
HMDB52578	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14,17,21,23-26,28,30,33-34,37,43,46,58H,4-13,15-16,18-20,22,27,29,31-32,35-36,38-42,44-45,47-57H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,33-30-,37-34-,46-43-
HMDB52577	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,31-33,36-37,40,42,45,57H,4-17,19,22,24,26,30,34-35,38-39,41,43-44,46-56H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-,45-42-
HMDB52576	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h20-21,23-25,28-30,32-34,37,43,46,58H,4-19,22,26-27,31,35-36,38-42,44-45,47-57H2,1-3H3/b23-20-,24-21-,28-25-,32-29-,33-30-,37-34-,46-43-
HMDB52575	TG(18:2(9Z,12Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32,58H,4-19,21-22,24,26-27,30-31,33-57H2,1-3H3/b23-20-,28-25-,32-29-
HMDB46724	TG(22:0/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,39,60H,4-8,10-11,13-16,19,22-25,28,30-33,35,37-38,40-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,39-36-
HMDB52573	TG(18:2(9Z,12Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-35,39,42,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,36-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,42-39-
HMDB52572	TG(18:2(9Z,12Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33-34,37,43,46,59H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,35-36,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-30-,37-34-,46-43-
HMDB52571	TG(18:2(9Z,12Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33-34,37,59H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,35-36,38-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-30-,37-34-
HMDB52570	TG(18:2(9Z,12Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-32,37,40,57H,4-8,10-11,13-17,19,22,24,26,30,33-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,40-37-
HMDB58448	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB51178	TG(20:3(5Z,8Z,11Z)/20:2n6/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-25,27-29,32,34,36,42,45,58H,4-14,16-17,19,21-22,26,30-31,33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,23-20-,27-24-,28-25-,32-29-,36-34-,45-42-
HMDB51179	TG(20:3(5Z,8Z,11Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,31,33,35,37,40-41,44,57H,4-13,15-16,19-20,22,24,29-30,32,34,36,38-39,42-43,45-56H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-,44-41-
HMDB51176	TG(20:3(5Z,8Z,11Z)/20:2n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,36,38,44,47,61H,4-14,16-17,19-23,30-35,37,39-43,45-46,48-60H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,38-36-,47-44-
HMDB51177	TG(20:3(5Z,8Z,11Z)/20:2n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,38,40,46,49,63H,4-14,16-17,19-23,30-37,39,41-45,47-48,50-62H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,40-38-,49-46-
HMDB51174	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,34,38,40-41,43,57H,4-17,19-20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB51175	TG(20:3(5Z,8Z,11Z)/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,34-37,42-43,45-46,59H,4-14,16-17,19-23,30-33,38-41,44,47-58H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-,46-43-
HMDB51172	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-35,37-38,41-43,45-46,60H,4-6,8-9,11-15,17,20,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB51173	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB51170	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-36,40,42-43,45,58H,4-6,8-9,11-15,17,20,22-24,30-31,37-39,41,44,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,45-42-
HMDB51171	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-36,40-45,58H,4-6,8-9,11-15,17,20,22-24,30-31,37-39,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB49487	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-34,36-37,43,46,58H,4-6,8-9,11-15,18,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB54353	TG(22:2(13Z,16Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,37,40,45,48,59H,4-15,18,21-24,29-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-37-,48-45-
HMDB59383	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,10,12,14,16-20,24,29-31,36,40-42,49-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB54352	TG(22:2(13Z,16Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,37,40,59H,4-15,18,21-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-37-
HMDB41872	detomidine	CC1=C(C)C(CC2=CN=CN2)=CC=C1	InChI=1S/C12H14N2/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)
HMDB41873	dexketoprofen	[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
HMDB41870	desethylchloroquine	CCNCCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1	InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)
HMDB41876	diacetylspermine	Cl.Cl.CC(O)=NCCCNCCCCNCCCN=C(C)O	InChI=1S/C14H30N4O2.2ClH/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20;;/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20);2*1H
HMDB41877	diethyl ether	CCOCC	InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
HMDB41874	dextran	OCC1OC(OCC2OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2
HMDB41878	diethylamine	CCNCC	InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
HMDB41879	dihydrodigoxin	CC1OC(CC(O)C1O)OC1C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(CCC54O)C4COC(=O)C4)C3)OC2C)OC1C	InChI=1S/C41H66O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h19-31,33-38,42-45,47-48H,6-18H2,1-5H3
HMDB12249	L-Aspartate-semialdehyde	N[C@@H](CC=O)C(O)=O	InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1
HMDB12248	L-3-Aminobutyryl-CoA	CC(N)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13?,14-,18-,19-,20?,24-/m1/s1
HMDB12241	Isopropylmaleate	CC(C)C(=C\C(O)=O)\C(O)=O	InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/b5-3-
HMDB12240	Isopentenyladenine-9-N-glucoside	CC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NCC=C(C)C	InChI=1S/C17H25N5O4/c1-4-10-12(23)13(24)14(25)17(26-10)22-8-21-11-15(18-6-5-9(2)3)19-7-20-16(11)22/h5,7-8,10,12-14,17,23-25H,4,6H2,1-3H3,(H,18,19,20)/t10-,12-,13+,14-,17+/m1/s1
HMDB12243	Kinetin-7-N-glucoside	OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1C(NCC1=CC=CO1)=NC=N2	InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1
HMDB12242	Ketoconazole	CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1	InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
HMDB12245	Kinetin	C(NC1=NC=NC2=C1NC=N2)C1=CC=CO1	InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
HMDB12244	Kinetin-9-N-glucoside	OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NCC1=CC=CO1	InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-10-14(18-6-19-15(10)21)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1
HMDB12247	L-2,3-Dihydrodipicolinate	OC(=O)C1CC=CC(=N1)C(O)=O	InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12)
HMDB12246	Kynuramine	NCCC(=O)C1=C(N)C=CC=C1	InChI=1S/C9H12N2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2
HMDB53769	TG(20:3n6/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-36,41,44,58H,4-6,8-9,11-15,18,22-23,27,30-32,37-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-
HMDB53768	TG(20:3n6/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-36,58H,4-6,8-9,11-15,18,22-23,27,30-32,37-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-
HMDB53761	TG(20:3n6/18:1(11Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-36,58H,4-15,18,22-23,27,30-32,37-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-
HMDB53760	TG(20:3n6/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-
HMDB53763	TG(20:3n6/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,35,37,60H,4-15,18,22-23,27,30-34,36,38-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,37-35-
HMDB53762	TG(20:3n6/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-36,41,44,58H,4-15,18,22-23,27,30-32,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-
HMDB53765	TG(20:3n6/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,37-38,41,47,50,60H,4-15,18,22-23,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-
HMDB53764	TG(20:3n6/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,37-38,41,60H,4-15,18,22-23,27,30,32,34,36,39-40,42-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-
HMDB53767	TG(20:3n6/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,32,34,36,39,56H,4-7,9-10,12-15,18,22-23,27,29,31,33,35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-
HMDB46055	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,39,42,48,51,60H,4-15,17-18,20-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,42-39-,51-48-
HMDB55088	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-8,10-11,13-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-
HMDB55089	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-8,10-11,13-15,22-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB55082	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,53,56,66H,4-6,8-9,11-15,22-24,31-33,40-42,49-52,54-55,57-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,56-53-
HMDB55083	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,52-53,55-56,66H,4-6,8-9,11-15,22-24,31-33,40-42,49-51,54,57-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-
HMDB55080	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-8,10-11,13-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-
HMDB55081	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-8,10-11,13-15,22-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB55086	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-8,10-11,13-15,22-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-
HMDB55087	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-45,49-50,52-53,62H,4-8,10-11,13-15,22-24,30-31,37-39,46-48,51,54-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB55084	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB55085	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,52-57,66H,4-15,22-24,31-33,40-42,49-51,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-,57-54-
HMDB50221	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-28,30-32,35,41,44,56H,4-6,8-9,11-15,17-18,20-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,31-27-,35-32-,44-41-
HMDB50220	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,35,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33-34,36-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,35-32-
HMDB50223	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,32-34,36-37,42-43,45-46,58H,4-7,9-10,12-16,18-19,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB50222	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,32,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,32-27-,37-34-,46-43-
HMDB50225	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,41-38-,50-47-
HMDB50224	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB50227	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-6,8-9,11-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB50226	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-33,36,42,45,57H,4-6,8-9,11-15,17-18,21-22,24,26,30,34-35,37-41,43-44,46-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,32-29-,36-33-,45-42-
HMDB50229	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-34,36-37,43,46,58H,4-7,9-10,12-15,18,21-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB50228	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31,33,36,42,45,57H,4-6,8-9,11-13,15,18,20-22,24,29-30,32,34-35,37-41,43-44,46-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,31-27-,36-33-,45-42-
HMDB54931	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-41,46-47,49-50,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,42-45,48,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-
HMDB54930	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-41,47,50,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,50-47-
HMDB54933	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-15,18,21-24,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-
HMDB54932	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,37,43,46,57H,4-15,17-18,20-24,26,28-29,32-34,36,38-42,44-45,47-56H2,1-3H3/b19-16-,27-25-,31-30-,37-35-,46-43-
HMDB54935	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-7,9-10,12-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-
HMDB54934	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30-32,36,39,45,48,58H,4-7,9-10,12-15,18,21-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,48-45-
HMDB54937	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB54936	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,47,50,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-
HMDB54939	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-
HMDB54938	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39-40,42-43,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,41,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,52-49-
HMDB56681	CL(16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-41,44,48,56,60,77-79,84H,5-20,22-24,26-32,37,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,40-34-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB56680	CL(16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38-40,44,48,56,60,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB56683	CL(16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-37,40-44,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,38-39,45-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB56682	CL(16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB56685	CL(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,44,48,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,48-44-/t77?,78-,79-/m1/s1
HMDB56684	CL(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,43,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-43-/t75?,76-,77-/m1/s1
HMDB55888	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,54,57,66H,4-6,13-15,22-24,31-33,40-42,49-53,55-56,58-65H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,57-54-
HMDB56686	CL(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,44,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,48-44-/t77?,78-,79-/m1/s1
HMDB56689	CL(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56688	CL(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-37,40-44,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB46057	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-15,17-18,20-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB55330	TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-32,35,41,44,56H,4-6,13-15,22-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,44-41-
HMDB55331	TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-32,35-36,39,41,44,56H,4-6,13-15,22-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB55332	TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-37,43,46,58H,4-6,13-15,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB55333	TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-37,42-43,45-46,58H,4-6,13-15,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB55334	TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,13-15,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB53028	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,33,39,42,59H,4-13,15-16,19-20,22,24,29-32,34-38,40-41,43-58H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,33-27-,42-39-
HMDB55336	TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,35,41,44,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,44-41-
HMDB55337	TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-33,37,40,58H,4-6,13-15,22-24,29,34-36,38-39,41-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-
HMDB55338	TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-33,37-38,40-41,58H,4-6,13-15,22-24,29,34-36,39,42-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-
HMDB55339	TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,38-39,42,60H,4-6,13-15,22-24,30,32,36-37,40-41,43-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-
HMDB53029	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,38,40,43,60H,4-16,19,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-
HMDB53026	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,35,37,40-41,44,57H,4-17,19-20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB56135	DG(14:1n5/0:0/16:1n7)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C33H60O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h16,18-19,21,31,34H,3-15,17,20,22-30H2,1-2H3/b18-16+,21-19+
HMDB53027	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,32-33,38-39,41-42,58H,4-16,19,22-24,29-31,34-37,40,43-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-
HMDB58259	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB54687	TG(22:4(7Z,10Z,13Z,16Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,40,43,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-
HMDB54686	TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52,55,66H,4-15,18,21-24,27,30-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB54685	TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,66H,4-15,18,21-24,27,30-33,36,39-42,45,48-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB54684	TG(22:4(7Z,10Z,13Z,16Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,38,41,61H,4-15,17-18,20-24,26-27,29-31,33,35-37,39-40,42-60H2,1-3H3/b19-16-,28-25-,34-32-,41-38-
HMDB54683	TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50,53,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-
HMDB54682	TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-40,43,46-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-
HMDB54681	TG(22:4(7Z,10Z,13Z,16Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-
HMDB54680	TG(22:4(7Z,10Z,13Z,16Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-
HMDB54689	TG(22:4(7Z,10Z,13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-
HMDB54688	TG(22:4(7Z,10Z,13Z,16Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,40,42-43,45,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-
HMDB58254	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,46-47,50-52,56,58-59,62-63,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,48-49,53-55,57,60-61,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-/t83?,84-,85-/m1/s1
HMDB58255	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,42-43,45-46,48,52-54,57-58,60,64,66,70,85-87,92H,5-8,10-12,14-20,24,29-31,36,40-41,44,47,49-51,55-56,59,61-63,65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-,70-66-/t85?,86-,87-/m1/s1
HMDB58256	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,48,52-54,57-58,60,64,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47,49-51,55-56,59,61-63,65-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-/t85?,86-,87-/m1/s1
HMDB09399	PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,43H,3-10,15-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09398	PE(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29,31,43H,3-10,15-16,21-22,27-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t43-/m1/s1
HMDB09393	PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,41H,3-5,7,9-10,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1
HMDB09392	PE(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,27,29,41H,3-5,7,9-10,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB09391	PE(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,41H,3-10,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1
HMDB09390	PE(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,41H,3-10,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB09397	PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,29-32,43H,3-10,12,14-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-/m1/s1
HMDB09396	PE(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,43H,3-10,15-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1
HMDB09395	PE(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,43H,3-10,12,14-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-,31-29-/t43-/m1/s1
HMDB09394	PE(20:4(5Z,8Z,11Z,14Z)/20:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,43H,3-10,12,14-16,18,20-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,25-23-,31-29-/t43-/m1/s1
HMDB58252	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB58253	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB57790	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,41-42,44-46,50-52,55-56,58,62,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,47-49,53-54,57,59-61,63-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-/t83?,84-,85-/m1/s1
HMDB57791	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,28-30,32,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB57792	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57793	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB40088	2,4-Diethyl-5-propylthiazole	CCCC1=C(CC)N=C(CC)S1	InChI=1S/C10H17NS/c1-4-7-9-8(5-2)11-10(6-3)12-9/h4-7H2,1-3H3
HMDB40089	2,5-Diethyl-4-propylthiazole	CCCC1=C(CC)SC(CC)=N1	InChI=1S/C10H17NS/c1-4-7-8-9(5-2)12-10(6-3)11-8/h4-7H2,1-3H3
HMDB57796	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,36-38,41-45,49,51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,29-30,35,39-40,46-48,50,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-/t82?,83-,84-/m1/s1
HMDB57797	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,62-63,66,83-85,90H,5-9,11-13,15-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-61,64-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-/t83?,84-,85-/m1/s1
HMDB40084	4,5-Dimethyl-2-pentylthiazole	CCCCCC1=NC(C)=C(C)S1	InChI=1S/C10H17NS/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3
HMDB40085	2,5-Dipropyl-4-methylthiazole	CCCC1=NC(C)=C(CCC)S1	InChI=1S/C10H17NS/c1-4-6-9-8(3)11-10(12-9)7-5-2/h4-7H2,1-3H3
HMDB40086	2-Butyl-5-ethyl-4-methylthiazole	CCCCC1=NC(C)=C(CC)S1	InChI=1S/C10H17NS/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3
HMDB40087	4-Butyl-2-ethyl-5-methylthiazole	CCCCC1=C(C)SC(CC)=N1	InChI=1S/C10H17NS/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3
HMDB40080	5-Ethyl-4-methyl-2-propylthiazole	CCCC1=NC(C)=C(CC)S1	InChI=1S/C9H15NS/c1-4-6-9-10-7(3)8(5-2)11-9/h4-6H2,1-3H3
HMDB40081	4-Ethyl-5-methyl-2-(1-methylethyl)thiazole	CCC1=C(C)SC(=N1)C(C)C	InChI=1S/C9H15NS/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3
HMDB40082	5-Ethyl-4-methyl-2-(1-methylethyl)thiazole	CCC1=C(C)N=C(S1)C(C)C	InChI=1S/C9H15NS/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3
HMDB40083	2,4-Dimethyl-5-pentylthiazole	CCCCCC1=C(C)N=C(C)S1	InChI=1S/C10H17NS/c1-4-5-6-7-10-8(2)11-9(3)12-10/h4-7H2,1-3H3
HMDB48251	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-
HMDB48250	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,46,49,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-
HMDB48253	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,14-19,23-24,46H,4-6,8-9,11-13,20-22,25-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-
HMDB06719	5,6-trans-Vitamin D3	CC(C)CCC[C@@H](C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26?,27-/m1/s1
HMDB03948	(2E)-Decenoyl-CoA	CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26?,30-/m1/s1
HMDB03949	(2E)-Octenoyl-CoA	CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24?,28-/m1/s1
HMDB48257	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,52H,4-7,9-10,12-14,16,19,21-23,27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-
HMDB48256	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,50H,4-7,9-10,12-14,16,19,21-23,28-49H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-
HMDB03944	trans-2-Hexenoyl-CoA	CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,20-,21-,22?,26-/m1/s1
HMDB03945	(2E)-Hexadecenoyl-CoA	CCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)([O-])[O-])N1C=NC2=C1N=CN=C2N	InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b17-16+/t26-,30-,31-,32+,36-/m1/s1
HMDB06710	Ubiquinone Q4	COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O	InChI=1S/C29H42O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+
HMDB03947	8Z,11Z,14Z-eicosatrienoyl-CoA	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C44H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h8-9,11-12,14-15,17-18,31-33,37-39,43,54-55H,4-7,10,13,16,19-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/b9-8-,12-11-,15-14-,18-17-/t33-,37?,38+,39+,43-/m1/s1
HMDB03940	(S)-Hydroxyoctanoyl-CoA	[H][C@](O)(CCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18+,22?,23-,24-,28+/m0/s1
HMDB03941	3-Oxooctanoyl-CoA	CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C29H48N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-16,18,22-24,28,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24?,28-/m1/s1
HMDB03942	(S)-Hydroxyhexanoyl-CoA	CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16+,20+,21+,22?,26+/m0/s1
HMDB03943	3-Oxohexanoyl-CoA	CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20-,21-,22?,26-/m1/s1
HMDB04620	N-a-Acetyl-L-arginine	CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O	InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
HMDB46052	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,35,38,44,47,56H,4-14,17,20-23,25,27-28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,38-35-,47-44-
HMDB04624	7b-Hydroxydehydroepiandrosterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C	InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15-,17-,18-,19-/m0/s1
HMDB04626	Tetrahydrogestrinone	[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
HMDB04627	Calusterone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2=CC(=O)CC[C@]12C	InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1
HMDB04628	Lead	[Pb++]	InChI=1S/Pb/q+2
HMDB04629	O-Desmethylangolensin	CC(C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3
HMDB30944	Cystophorene	CCCCC\C=C/C=C/C=C	InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5+,11-9-
HMDB30945	2-Undecynoic acid; Me ester	CCCCCCCCC#CC(=O)OC	InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3
HMDB30942	2-Undecanol	CCCCCCCCCC(C)O	InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
HMDB30943	6-Undecanone	CCCCCC(=O)CCCCC	InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
HMDB30940	Squamocin L	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3
HMDB30941	Undecanal	CCCCCCCCCCC=O	InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
HMDB45564	TG(20:0/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-
HMDB45565	TG(20:0/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-
HMDB45566	TG(20:0/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,29,32,57H,4-19,21-22,24-28,30-31,33-56H2,1-3H3/b23-20-,32-29-
HMDB45567	TG(20:0/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,26,30,36,39,56H,4-16,18-19,21-25,27-29,31-35,37-38,40-55H2,1-3H3/b20-17-,30-26-,39-36-
HMDB45560	TG(20:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB45561	TG(20:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h26,30,56H,4-25,27-29,31-55H2,1-3H3/b30-26-
HMDB45562	TG(20:0/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,58H,4-24,26-27,29-57H2,1-3H3/b28-25-
HMDB45563	TG(20:0/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,33,35,41,44,58H,4-24,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b28-25-,35-33-,44-41-
HMDB45568	TG(20:0/18:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,57H,4-13,15-16,18-22,24-25,27-56H2,1-3H3/b17-14-,26-23-
HMDB45569	TG(20:0/18:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,58H,4-15,17-18,20-24,26-27,29-32,34,36-57H2,1-3H3/b19-16-,28-25-,35-33-
HMDB57248	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-34,37,39,42,46,54,58,77-79,84H,5-20,22-24,26-32,35-36,38,40-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57249	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-34,37,39,42,46,54,58,77-79,84H,5-20,22-24,26-27,29-31,35-36,38,40-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,39-34-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB49616	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,47,50,60H,4-6,9,12-15,18,22-23,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-
HMDB49617	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,35,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33-34,36-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-32-
HMDB49614	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-34,36-37,42,45,58H,4-6,9,12-15,18,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB49615	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,60H,4-6,9,12-15,18,22-23,27,30,32,34-35,37,40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-
HMDB49612	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30,32,35-36,39,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,37-38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-
HMDB49613	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-34,36-37,58H,4-6,9,12-15,18,22-23,27,30-32,35,38-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-
HMDB49610	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,47,50,60H,4-7,9-10,12-15,18,22-23,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-
HMDB49611	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30,32,35,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-
HMDB49618	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28,32,35,41,44,56H,4-6,8-9,11-15,17-18,22,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,35-32-,44-41-
HMDB49619	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,27-28,31-32,35,41,44,56H,4-6,8-9,11-15,17-18,21-22,24,26,29-30,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,35-32-,44-41-
HMDB58037	CL(18:1(11Z)/18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,40-41,76-78,83H,5-24,28,32-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB33411	Theasaponin E2	C\C=C(\C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C	InChI=1S/C59H90O27/c1-10-24(2)49(76)86-47-46(73)59(23-79-25(3)62)27(17-54(47,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)65)81-53-45(85-51-40(71)38(69)37(68)30(19-60)80-51)42(41(72)43(83-53)48(74)75)82-52-44(36(67)29(64)21-78-52)84-50-39(70)35(66)28(63)20-77-50/h10-11,22,27-47,50-53,60,63-73H,12-21,23H2,1-9H3,(H,74,75)/b24-10-
HMDB02704	Iduronic acid	O[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5+/m1/s1
HMDB02706	Canavanine	N[C@@H](CCONC(N)=N)C(O)=O	InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
HMDB33416	Aluminium octanoate	[Al+3].CCCCCCCC([O-])=O.CCCCCCCC([O-])=O.CCCCCCCC([O-])=O	InChI=1S/3C8H16O2.Al/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3
HMDB33419	Aluminium dodecanoate	[Al+3].CCCCCCCCCCCC([O-])=O.CCCCCCCCCCCC([O-])=O.CCCCCCCCCCCC([O-])=O	InChI=1S/3C12H24O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);/q;;;+3/p-3
HMDB02708	Cyanidin	[Cl-].OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H
HMDB41025	Isoacteoside	CC1OC(OC2C(O)C(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O	InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+
HMDB41024	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-b-D-Glucopyranoside	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C([H])([H])C([H])([H])OC1([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]	InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2
HMDB41027	Hovenidulcigenin A	CC(C(CC1OC(=O)C(C)=C1)OC(C)=O)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1	InChI=1S/C32H48O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h14,19,21-26,34H,8-13,15-17H2,1-7H3
HMDB41026	Erinapyrone C	CC(O)C12OC1OC(CO)=CC2=O	InChI=1S/C8H10O5/c1-4(10)8-6(11)2-5(3-9)12-7(8)13-8/h2,4,7,9-10H,3H2,1H3
HMDB41021	Calenduloside H methyl ester	COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-34(57)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-36(59)37(35(58)38(67-42)39(60)62-8)66-40-33(56)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3
HMDB41020	Momordin Ie	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C46H72O17/c1-41(2)14-16-46(40(56)57)17-15-44(6)21(22(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)60-39-35(63-38-31(52)29(50)24(48)20-59-38)33(32(53)34(62-39)36(54)55)61-37-30(51)28(49)23(47)19-58-37/h8,22-35,37-39,47-53H,9-20H2,1-7H3,(H,54,55)(H,56,57)
HMDB41023	Reticulatamol	CCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H66O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-34(36)30-27-24-21-18-15-14-16-19-22-25-28-33-31-32(2)38-35(33)37/h31-32,34,36H,3-30H2,1-2H3
HMDB41022	Hemsloside Ma 2	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)32(58)26(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-40(73-43-35(61)31(57)25(55)21-68-43)38(37(63)39(72-45)41(64)65)71-42-34(60)30(56)24(54)20-67-42/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)
HMDB41029	Hovenidulcioside A2	CC(C(CC1OC(=O)C(C)=C1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1	InChI=1S/C38H58O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h14,20,22-28,30-32,34,39,42-44H,8-13,15-18H2,1-7H3
HMDB41028	Hovenidulcioside A1	CC(C(CC1OC(=O)C(C)=C1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1	InChI=1S/C44H68O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h15,21-22,24-30,32-37,39-40,45,48-52H,9-14,16-19H2,1-8H3
HMDB46039	TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,64H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-
HMDB46038	TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-
HMDB31307	3-Oxohexanoic acid, 9CI; Et ester	CCCC(=O)CC(=O)OCC	InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
HMDB31306	3-Hydroxy-4,5-dimethyl-2(5H)-furanone	CC1OC(=O)C(O)=C1C	InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
HMDB31305	Oxirane	C1CO1	InChI=1S/C2H4O/c1-2-3-1/h1-2H2
HMDB31304	Osmundalin	CC1OC(=O)C=CC1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C12H18O8/c1-5-6(2-3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-7,9-13,15-17H,4H2,1H3
HMDB31303	Osmundalactone	CC1OC(=O)C=CC1O	InChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3
HMDB31302	Methyl 2-octynoate	CCCCCC#CC(=O)OC	InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3
HMDB31301	2-Octen-4-one	CCCCC(=O)\C=C/C	InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-
HMDB31300	()-(E)-2-Octen-4-ol	CCCCC(O)\C=C\C	InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+
HMDB44764	TG(18:0/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,56H,4-15,17-18,20-24,26-27,29-31,33,35-55H2,1-3H3/b19-16-,28-25-,34-32-
HMDB44767	TG(18:0/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,28,30-31,36,39,58H,4-15,17-18,20-24,26-27,29,32-35,37-38,40-57H2,1-3H3/b19-16-,28-25-,31-30-,39-36-
HMDB44766	TG(18:0/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,28,58H,4-15,17-18,20-24,26-27,29-57H2,1-3H3/b19-16-,28-25-
HMDB44760	TG(18:0/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-
HMDB31309	1-Octen-3-one	CCCCCC(=O)C=C	InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
HMDB31308	5-Acetyl-3,4-dihydro-2H-pyrrole	CC(=O)C1=NCCC1	InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
HMDB56355	DG(22:4n6/0:0/20:4n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,43,46H,3-5,7,9-10,15-16,21,23,26,29,31-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-
HMDB42644	TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,33,35,41,44,56H,4-16,18-19,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b20-17-,26-24-,27-25-,35-33-,44-41-
HMDB42645	TG(14:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,35,37,43,46,58H,4-16,18-19,21-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b20-17-,26-24-,27-25-,37-35-,46-43-
HMDB42646	TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-30,32,38,41,53H,4-15,17-18,21-22,25,28,31,33-37,39-40,42-52H2,1-3H3/b19-16-,23-20-,26-24-,29-27-,32-30-,41-38-
HMDB42647	TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,33,36-37,40,52H,4-15,18,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB42640	TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,37,40,52H,4-15,17-18,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-,40-37-
HMDB42641	TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-29,31,37,40,52H,4-15,17-18,20-23,27,30,32-36,38-39,41-51H2,1-3H3/b19-16-,26-24-,28-25-,31-29-,40-37-
HMDB42642	TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,31,33,39,42,54H,4-16,18-19,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b20-17-,26-24-,27-25-,33-31-,42-39-
HMDB42643	TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,30-33,38-39,41-42,54H,4-16,18-19,21-23,28-29,34-37,40,43-53H2,1-3H3/b20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42648	TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,30,32,38,41,53H,4-13,15,18,20-22,27-29,31,33-37,39-40,42-52H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,32-30-,41-38-
HMDB42649	TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,39,42,54H,4-15,18,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB57407	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-67,70-71,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB49835	TG(18:1(9Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,34-35,40,43,60H,4-7,9-10,12-16,18-19,21-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,34-26-,35-27-,43-40-
HMDB39152	Flavidulol A	COC1=CC=C(O)C2=C1C\C=C(C)/CC\C=C(C)/C2	InChI=1S/C17H22O2/c1-12-5-4-6-13(2)11-15-14(8-7-12)17(19-3)10-9-16(15)18/h6-7,9-10,18H,4-5,8,11H2,1-3H3/b12-7-,13-6-
HMDB39153	(R)-11,12,13-Trinor-1(5),6,9-guaiatrien-8-one	CC1CCC2=C1C=CC(=O)C=C2C	InChI=1S/C12H14O/c1-8-3-5-12-9(2)7-10(13)4-6-11(8)12/h4,6-8H,3,5H2,1-2H3
HMDB39150	Flavidulol C	COC1=CC(=C(O)C2=C1C\C=C(C)/CC\C=C(C)/C2)C1=C(O)C2=C(C\C=C(C)/CC\C=C(C)/C2)C(OC)=C1	InChI=1S/C34H42O4/c1-21-9-7-11-23(3)17-27-25(15-13-21)31(37-5)19-29(33(27)35)30-20-32(38-6)26-16-14-22(2)10-8-12-24(4)18-28(26)34(30)36/h11-14,19-20,35-36H,7-10,15-18H2,1-6H3/b21-13-,22-14-,23-11-,24-12-
HMDB39151	Flavidulol B	COC1=CC=C(O)C2=C1CC(C(C)=C)C(C)(C2)C=C	InChI=1S/C17H22O2/c1-6-17(4)10-13-12(9-14(17)11(2)3)16(19-5)8-7-15(13)18/h6-8,14,18H,1-2,9-10H2,3-5H3
HMDB39156	3beta-Hydroxycinnamolide	CC1(C)C(O)CCC2(C)C3COC(=O)C3=CCC12	InChI=1S/C15H22O3/c1-14(2)11-5-4-9-10(8-18-13(9)17)15(11,3)7-6-12(14)16/h4,10-12,16H,5-8H2,1-3H3
HMDB39157	Clovamide	[H]OC(=O)C([H])(N([H])C(=O)C(\[H])=C(\[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3-
HMDB39154	(-)-Guttiferone E	CC(C)=CCC(CC12CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(C(=O)C3=CC(O)=C(O)C=C3)=C1O)C2=O)C(C)=C	InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3
HMDB39155	ar-Artemisene	CC(C)\C=C\CC(=C)CCCC(C)C1=CC=C(C)C=C1	InChI=1S/C20H30/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h6,8,12-16,19H,3,7,9-11H2,1-2,4-5H3/b8-6+
HMDB39159	Bovolide	CCCC\C=C1\OC(=O)C(C)=C1C	InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3/b10-7+
HMDB38685	Muricatacin	CCCCCCCCCCCCC(O)C1CCC(=O)O1	InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3
HMDB38684	Sageone	CC(C)C1=CC2=C(C(O)=C1O)C1=C(CC2)C(C)(C)CCC1=O	InChI=1S/C19H24O3/c1-10(2)12-9-11-5-6-13-16(15(11)18(22)17(12)21)14(20)7-8-19(13,3)4/h9-10,21-22H,5-8H2,1-4H3
HMDB38687	(ent-15beta,16beta)-15,16-Epoxy-3-kauranone	CC12OC1C13CC2CCC1C1(C)CCC(=O)C(C)(C)C1CC3	InChI=1S/C20H30O2/c1-17(2)13-7-10-20-11-12(19(4)16(20)22-19)5-6-14(20)18(13,3)9-8-15(17)21/h12-14,16H,5-11H2,1-4H3
HMDB38686	Armillaricin	COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4CC(C=O)=C23)C(O)=C1	InChI=1S/C24H29ClO5/c1-12-19(16(27)7-17(29-5)21(12)25)22(28)30-18-10-24(4)15-9-23(2,3)8-13(15)6-14(11-26)20(18)24/h7,11,13,15,18,27H,6,8-10H2,1-5H3
HMDB38681	Musabalbisiane B	OCC1CC(O)C2(C(O)=O)C(CO)(CCC(O)C2(CC(O)=O)C=O)C11CC(OC1O)C1=COC=C1	InChI=1S/C23H30O12/c24-8-13-5-16(28)23(18(31)32)20(10-25,7-17(29)30)15(27)1-3-21(23,11-26)22(13)6-14(35-19(22)33)12-2-4-34-9-12/h2,4,9-10,13-16,19,24,26-28,33H,1,3,5-8,11H2,(H,29,30)(H,31,32)
HMDB38680	Musabalbisiane A	OCC1CC(O)C2(C=O)C(CC(O)=O)(C(O)CCC2(C=O)C11CC(OC1O)C1=COC=C1)C(O)=O	InChI=1S/C23H28O12/c24-8-13-5-16(28)23(11-26)20(10-25,3-1-15(27)22(23,18(31)32)7-17(29)30)21(13)6-14(35-19(21)33)12-2-4-34-9-12/h2,4,9-11,13-16,19,24,27-28,33H,1,3,5-8H2,(H,29,30)(H,31,32)
HMDB38683	19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid	CC1CCC2(CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O	InChI=1S/C30H44O5/c1-17-8-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)16-19(31)23-26(4)11-10-21(32)25(2,3)20(26)9-12-28(23,27)6/h16-17,20,22-23,35H,8-15H2,1-7H3,(H,33,34)
HMDB38682	Musabalbisiane C	C\C=C(/C)C(=O)OC1CCC2(CO)C3(CC(OC3O)C3=COC=C3)C(CO)CC(O)C2(CO)C1(CO)CC(O)=O	InChI=1S/C28H40O12/c1-3-16(2)23(36)40-21-4-6-26(14-31)27(9-19(39-24(27)37)17-5-7-38-12-17)18(11-29)8-20(33)28(26,15-32)25(21,13-30)10-22(34)35/h3,5,7,12,18-21,24,29-33,37H,4,6,8-11,13-15H2,1-2H3,(H,34,35)/b16-3+
HMDB37460	Tricin 7-diglucuronoside	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C(O)C(O)C3O)C(O)=O)C(O)=O)C=C2O1	InChI=1S/C29H30O19/c1-42-14-3-8(4-15(43-2)17(14)32)12-7-11(31)16-10(30)5-9(6-13(16)45-12)44-29-25(21(36)20(35)24(47-29)27(40)41)48-28-22(37)18(33)19(34)23(46-28)26(38)39/h3-7,18-25,28-30,32-37H,1-2H3,(H,38,39)(H,40,41)
HMDB37461	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-a-D-galacturonopyranoside]	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)=O)C=C2O1	InChI=1S/C29H32O17/c1-9-19(32)21(34)24(37)28(42-9)46-26-23(36)22(35)25(27(38)39)45-29(26)43-11-6-12(30)18-13(31)8-14(44-15(18)7-11)10-4-16(40-2)20(33)17(5-10)41-3/h4-9,19,21-26,28-30,32-37H,1-3H3,(H,38,39)
HMDB37462	Tricin 7-neohesperidoside	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1	InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3
HMDB37463	Spinosin C	COC1=C(C2OC(CO)C(O)C(O)C2OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C=C1	InChI=1S/C37H38O17/c1-49-22-13-23-27(20(41)12-21(51-23)17-5-9-19(40)10-6-17)31(45)28(22)35-36(33(47)29(43)24(14-38)52-35)54-37-34(48)32(46)30(44)25(53-37)15-50-26(42)11-4-16-2-7-18(39)8-3-16/h2-13,24-25,29-30,32-40,43-48H,14-15H2,1H3/b11-4+
HMDB38689	(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol	CC1(C)C(O)C(O)CC2(C)C3CCC4CC3(CCC12)C(O)C4=C	InChI=1S/C20H32O3/c1-11-12-5-6-15-19(4)10-13(21)17(23)18(2,3)14(19)7-8-20(15,9-12)16(11)22/h12-17,21-23H,1,5-10H2,2-4H3
HMDB38688	(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol	CC12OC1C13CC2CCC1C1(C)CC(O)C(O)C(C)(C)C1CC3	InChI=1S/C20H32O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11-16,21-22H,5-10H2,1-4H3
HMDB37466	4',5,6,7-Tetrahydroxyflavone; 6-O-b-D-Xylopyranoside	OC1COC(OC2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)13-5-10(22)15-14(29-13)6-11(23)19(17(15)26)30-20-18(27)16(25)12(24)7-28-20/h1-6,12,16,18,20-21,23-27H,7H2
HMDB37467	Rhamnazin 3-rutinoside	COC1=CC(O)=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=C1)C1=CC=C(O)C(OC)=C1	InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-13(30)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3
HMDB40868	4-O-Methylpinosylvic acid	COC1=CC(O)=C(C(O)=O)C(\C=C\C2=CC=CC=C2)=C1	InChI=1S/C16H14O4/c1-20-13-9-12(15(16(18)19)14(17)10-13)8-7-11-5-3-2-4-6-11/h2-10,17H,1H3,(H,18,19)/b8-7+
HMDB40869	2-O-Caffeoyltartronic acid	OC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C12H10O8/c13-7-3-1-6(5-8(7)14)2-4-9(15)20-10(11(16)17)12(18)19/h1-5,10,13-14H,(H,16,17)(H,18,19)/b4-2+
HMDB40862	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene; (E)-form, 4'-O-[3,4,5-Trihydroxybenzoyl-(-&gt;6)-b-D-glucopyranoside]	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2O)C(O)C1O	InChI=1S/C27H26O13/c28-15-5-13(6-16(29)10-15)2-1-12-3-4-20(17(30)7-12)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-18(31)22(33)19(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1-
HMDB40863	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene; (E)-form, 4'-O-b-D-Glucopyranoside	OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2O)C(O)C(O)C1O	InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-4-3-10(7-14(15)24)1-2-11-5-12(22)8-13(23)6-11/h1-8,16-27H,9H2/b2-1-
HMDB40860	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;4)-b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OC2C(O)C(O)C(OCC3OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(CCC65C)C(O)=O)C4(C)C)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O	InChI=1S/C48H78O17/c1-22-30(50)32(52)35(55)40(61-22)65-38-25(20-49)62-39(37(57)34(38)54)60-21-26-31(51)33(53)36(56)41(63-26)64-29-12-13-45(6)27(44(29,4)5)11-14-47(8)28(45)10-9-23-24-19-43(2,3)15-17-48(24,42(58)59)18-16-46(23,47)7/h9,22,24-41,49-57H,10-21H2,1-8H3,(H,58,59)
HMDB40861	Myricetin 3-robinobioside	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3
HMDB40866	1-O-p-Coumaroylglucose; b-D-form, 2'-Hydroxy, 4'-Me ether	COC1=CC(O)=C(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C16H20O9/c1-23-9-4-2-8(10(18)6-9)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+
HMDB40867	5-O-Methylembelin	CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O	InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
HMDB40864	O-Geranylvanillin	COC1=CC(C=O)=CC=C1OC\C=C(/C)CCC=C(C)C	InChI=1S/C18H24O3/c1-14(2)6-5-7-15(3)10-11-21-17-9-8-16(13-19)12-18(17)20-4/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
HMDB40865	Linusitamarin	COC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1	InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3-
HMDB39488	Chrysophanol 8-gentiobioside	CC1=CC2=C(C(O)=C1)C(=O)C1=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C=CC=C1C2=O	InChI=1S/C27H30O14/c1-9-5-11-16(12(29)6-9)21(33)17-10(18(11)30)3-2-4-13(17)39-27-25(37)23(35)20(32)15(41-27)8-38-26-24(36)22(34)19(31)14(7-28)40-26/h2-6,14-15,19-20,22-29,31-32,34-37H,7-8H2,1H3
HMDB39489	6''-O-Acetylglycitin	COC1=CC2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
HMDB03546	Salicin	OC[C@H]1O[C@@H](OC2=C(CO)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
HMDB39480	Acetylsoyasaponin A5	CC(=O)OC1COC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C58H90O26/c1-24(61)76-31-22-75-51(45(78-26(3)63)42(31)77-25(2)62)81-41-29(64)21-74-49(40(41)70)84-47-46(71)53(4,5)19-28-27-11-12-33-55(7)15-14-34(56(8,23-60)32(55)13-16-58(33,10)57(27,9)18-17-54(28,47)6)80-52-44(38(68)37(67)43(82-52)48(72)73)83-50-39(69)36(66)35(65)30(20-59)79-50/h11,28-47,49-52,59-60,64-71H,12-23H2,1-10H3,(H,72,73)
HMDB39481	Acetylsoyasaponin A4	CC(=O)OC1COC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C64H100O31/c1-25(68)85-33-23-84-56(50(87-27(3)70)46(33)86-26(2)69)91-45-30(71)22-83-54(44(45)79)95-52-51(80)59(4,5)19-29-28-11-12-35-61(7)15-14-36(62(8,24-67)34(61)13-16-64(35,10)63(28,9)18-17-60(29,52)6)90-58-49(42(77)41(76)47(92-58)53(81)82)94-57-48(40(75)38(73)32(21-66)89-57)93-55-43(78)39(74)37(72)31(20-65)88-55/h11,29-52,54-58,65-67,71-80H,12-24H2,1-10H3,(H,81,82)
HMDB39482	Trigofoenoside D	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3
HMDB39483	Trigofoenoside A	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3
HMDB39484	Gibberellin A12 7-aldehyde	CC12CCCC(C)(C1C(C=O)C13CC(CCC21)C(=C)C3)C(O)=O	InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)
HMDB39485	Trigofoenoside B	CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H76O19/c1-18(17-58-40-36(54)34(52)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-38(56)35(53)39(29(16-47)62-42)63-41-37(55)33(51)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3
HMDB39486	ent-8(17),13(16),14-Labdatrien-18-oic acid	CC12CCCC(C)(C1CCC(=C)C2CCC(=C)C=C)C(O)=O	InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22)
HMDB39487	2,3-Dihydroxy-12-oleanene-23,28-dioic acid; (2b,3b)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;6)-b-D-glucopyranosyl-(1-&gt;3)-b-D-glucopyranoside]	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O	InChI=1S/C48H76O21/c1-43(2)11-13-48(42(62)63)14-12-45(4)20(21(48)15-43)7-8-26-44(3)16-22(51)37(47(6,41(60)61)27(44)9-10-46(26,45)5)69-40-35(59)36(30(54)24(18-50)66-40)68-39-34(58)32(56)29(53)25(67-39)19-64-38-33(57)31(55)28(52)23(17-49)65-38/h7,21-40,49-59H,8-19H2,1-6H3,(H,60,61)(H,62,63)
HMDB32456	Paraldehyde	CC1OC(C)OC(C)O1	InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
HMDB32457	1-Pentanethiol	CCCCCS	InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
HMDB32454	3-Octyl formate	CCCCCC(CC)OC=O	InChI=1S/C9H18O2/c1-3-5-6-7-9(4-2)11-8-10/h8-9H,3-7H2,1-2H3
HMDB32455	L-Ornithine monochlorohydrate/ornithine	NCCCC(N)C(O)=O	InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
HMDB32452	1-Octen-3-yl acetate	CCCCCC(OC(C)=O)C=C	InChI=1S/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3
HMDB32453	cis-3-Octenyl propionate	CCCC\C=C/CCOC(=O)CC	InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
HMDB01979	6,15-Diketo,13,14-dihydro-PGF1a	CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O	InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,16-19,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t16-,17-,18-,19+/m1/s1
HMDB32451	4-Octen-3-one	CCCC=CC(=O)CC	InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+
HMDB01977	Trioxilin A3	CCCCC\C=C/C[C@H](O)[C@H](O)\C=C\C(O)C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
HMDB01976	Docosapentaenoic acid (22n-6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-,19-18-
HMDB01975	2-Ethyl-2-Hydroxybutyric acid	CCC(O)(CC)C(O)=O	InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
HMDB47077	TG(24:0/18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
HMDB01973	9-Methyluric acid	CN1C(=O)NC2=C1NC(=O)NC2=O	InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
HMDB01972	3-Aminosalicylic acid	NC1=CC=CC(C(O)=O)=C1O	InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
HMDB32458	4-Pentenal	C=CCCC=O	InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2
HMDB01970	3-Methyluric acid	CN1C2=C(NC(=O)N2)C(=O)NC1=O	InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)
HMDB59309	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66,69-70,73,88-90,95H,5-9,11-13,15-20,24,29-31,36,41-43,51-53,56,60,62-65,67-68,71-72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,73-69-/t88?,89-,90-/m1/s1
HMDB30169	Papaverrubine B	COC1OC2C(NCCC3=C2C=C(OC)C(OC)=C3)C2=C1C1=C(OCO1)C=C2	InChI=1S/C21H23NO6/c1-23-15-8-11-6-7-22-18-12-4-5-14-20(27-10-26-14)17(12)21(25-3)28-19(18)13(11)9-16(15)24-2/h4-5,8-9,18-19,21-22H,6-7,10H2,1-3H3
HMDB37798	(S)-10,16-Dihydroxyhexadecanoic acid	OCCCCCCC(O)CCCCCCCCC(O)=O	InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)
HMDB37799	Palestinol	CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CC(O)CC(C)(C)C5CCC34C)C12	InChI=1S/C30H50O/c1-19(2)21-11-13-27(5)15-16-29(7)22(25(21)27)9-10-24-28(6)18-20(31)17-26(3,4)23(28)12-14-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3
HMDB30164	Cyclonormammein	CCCC(=O)C1=C(O)C2=C(OC(C2)C(C)(C)O)C2=C1OC(=O)C=C2CCC	InChI=1S/C21H26O6/c1-5-7-11-9-15(23)27-20-16(11)19-12(10-14(26-19)21(3,4)25)18(24)17(20)13(22)8-6-2/h9,14,24-25H,5-8,10H2,1-4H3
HMDB30165	Tricyclodehydroisohumulone	CC(C)CC(=O)C1C(=O)C2(O)C(=O)CC3C(C)(C)C(CC23C1=O)C(C)=C	InChI=1S/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,16,26H,3,7-9H2,1-2,4-6H3
HMDB30166	Euglobal III	CC(C)CC1C2CC\C(C)=C/C3C(CCC2(C)OC2=C1C(O)=C(C=O)C(O)=C2C=O)C3(C)C	InChI=1S/C28H38O5/c1-15(2)11-17-20-8-7-16(3)12-22-21(27(22,4)5)9-10-28(20,6)33-26-19(14-30)24(31)18(13-29)25(32)23(17)26/h12-15,17,20-22,31-32H,7-11H2,1-6H3/b16-12-
HMDB30167	Cytarabine	NC1=NC(=O)N(C=C1)C1OC(CO)C(O)C1O	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)
HMDB30160	Natsudaidain	COC1=CC=C(C=C1OC)C1=C(O)C(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC	InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-15(23)14(22)13-17(26-3)19(27-4)21(29-6)20(28-5)18(13)30-16/h7-9,23H,1-6H3
HMDB30161	5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone	COC1=CC=C(C=C1OC)C1=C(OC)C(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2O	InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3
HMDB30162	Nevskin	CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3
HMDB30163	Galbanic acid	CC1CCC(C(CCC(O)=O)C1(C)COC1=CC=C2C=CC(=O)OC2=C1)=C(C)C	InChI=1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)
HMDB57403	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB08707	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,48H,6-7,12-13,18-19,24,26,28,33-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-/t48-/m1/s1
HMDB08706	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,35,37,48H,6-7,9,11-13,18-19,24,26,28,33-34,36,38-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1
HMDB08705	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,48H,6-7,9,11-13,18-19,24,26,28,33-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-/t48-/m1/s1
HMDB08704	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,29-32,35,37,48H,6-7,9,11-13,15,17-19,24,26,28,33-34,36,38-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1
HMDB08703	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,30,32,48H,6-7,9,11-13,18-19,24,26,28-29,31,33-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,32-30-/t48-/m1/s1
HMDB08702	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,30,32,48H,6-7,9,11-13,15,17-19,24,26,28-29,31,33-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,32-30-/t48-/m1/s1
HMDB08701	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,30,32,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-29,31,33-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,32-30-/t48-/m1/s1
HMDB08700	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30-31,33,46H,6-7,12-13,18-19,23,27,29,32,34-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1
HMDB47450	TG(24:0/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,40-41,43,47,50,64H,4-16,19,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB08709	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,32,34,50H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-49H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,34-32-/t50-/m1/s1
HMDB08708	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,35,37,48H,6-7,12-13,18-19,24,26,28,33-34,36,38-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1
HMDB47451	TG(24:0/20:3n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,42,45,66H,4-16,19,22-25,28,31-41,43-44,46-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,45-42-
HMDB31237	threo-Syringoylglycerol	COC1=CC(=CC(OC)=C1O)C(O)C(O)CO	InChI=1S/C11H16O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,10,12-15H,5H2,1-2H3
HMDB47457	TG(24:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,40-41,43,47,50,64H,4-7,9-10,12-16,19,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB57549	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB47454	TG(24:0/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,38,41,62H,4-8,10-11,13-16,19,22-25,28,30-35,37,39-40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,41-38-
HMDB47455	TG(24:0/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,38,41-42,45,62H,4-8,10-11,13-16,19,22-25,28,30-35,37,39-40,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-
HMDB47458	TG(24:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-
HMDB47459	TG(24:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,52,55,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-
HMDB35109	Diosbulbin D	CC12CC(OC(=O)C1CC(=O)C1C3CC(CC21)OC3=O)C1=COC=C1	InChI=1S/C19H20O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-13,15-16H,4-7H2,1H3
HMDB35108	Diosbulbin A	COC(=O)C1CC(O)CC2C1C1CC3(OC(CC23C)C2=COC=C2)C(=O)O1	InChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3
HMDB38359	Theasinensin B	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C37H30O18/c38-12-3-18(40)14-7-24(46)35(53-25(14)5-12)16-8-22(44)31(48)33(50)28(16)29-17(9-23(45)32(49)34(29)51)36-27(10-15-19(41)4-13(39)6-26(15)54-36)55-37(52)11-1-20(42)30(47)21(43)2-11/h1-6,8-9,24,27,35-36,38-51H,7,10H2
HMDB38358	Gambiriin B3	OC1CC2=C(O)C3=C(OC(CC4=C(O)C=C(O)C=C4O)C3C3=CC=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2
HMDB51782	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,39,45,48,54,57,66H,4-17,19-20,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB35101	Lansioside A	CC(=O)NC1C(O)C(O)C(CO)OC1OC1CCC2(C)C(CCC3C(C)=CCC(C(C)=C)C3(C)CCC(O)=O)C(=C)CCC2C1(C)C	InChI=1S/C38H61NO8/c1-21(2)25-12-10-22(3)26(37(25,8)19-17-31(42)43)13-14-27-23(4)11-15-29-36(6,7)30(16-18-38(27,29)9)47-35-32(39-24(5)41)34(45)33(44)28(20-40)46-35/h10,25-30,32-35,40,44-45H,1,4,11-20H2,2-3,5-9H3,(H,39,41)(H,42,43)
HMDB35100	2-Pinen-10-ol	CC1(C)C2CC1C(CO)=CC2	InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
HMDB35103	Lansioside C	CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OCC(O)C(O)C2O)C1(C)CCC(O)=O	InChI=1S/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(37)38)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)42-32-31(40)30(39)26(36)19-41-32/h9,23-28,30-32,36,39-40H,1,4,10-19H2,2-3,5-8H3,(H,37,38)
HMDB35102	Lansioside B	CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OC(CO)C(O)C(O)C2O)C1(C)CCC(O)=O	InChI=1S/C36H58O8/c1-20(2)23-11-9-21(3)24(35(23,7)18-16-29(38)39)12-13-25-22(4)10-14-27-34(5,6)28(15-17-36(25,27)8)44-33-32(42)31(41)30(40)26(19-37)43-33/h9,23-28,30-33,37,40-42H,1,4,10-19H2,2-3,5-8H3,(H,38,39)
HMDB38357	Gambiriin A1	OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC(O)=C(O)C=C1)C1=C2OC(C(O)CC2=C(O)C=C1O)C1=CC(O)=C(O)C=C1	InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2
HMDB35104	Diacetoxyscirpenol	CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C11CO1	InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3
HMDB38355	2-Ethyl-4-(2-furanyl)-2-propenal	CC\C(C=O)=C/C1=CC=CO1	InChI=1S/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3/b8-6+
HMDB35106	Pomolic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O	InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)
HMDB45968	TG(20:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,38,40-41,43,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-
HMDB45969	TG(20:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,38,40-41,43,49,52,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,52-49-
HMDB57545	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57544	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1
HMDB34472	3-Phenylpropyl 2-methylpropanoate	CC(C)C(=O)OCCCC1=CC=CC=C1	InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
HMDB34473	Citbismine F	COC1=CC2=C(C(O)=C1C1C(OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(O)=CC=C3)C(C)(C)O)C(=O)C1=C(N2C)C(OC)=C(OC)C=C1	InChI=1S/C36H34N2O10/c1-36(2,44)35-27(25-22(48-35)14-19(40)24-30(25)38(4)28-15(32(24)42)9-8-10-18(28)39)26-21(46-6)13-17-23(33(26)43)31(41)16-11-12-20(45-5)34(47-7)29(16)37(17)3/h8-14,27,35,39-40,43-44H,1-7H3
HMDB34470	2-Phenylpropyl isobutyrate	CC(C)C(=O)OCC(C)C1=CC=CC=C1	InChI=1S/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
HMDB34471	3-Phenylpropyl formate	O=COCCCC1=CC=CC=C1	InChI=1S/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
HMDB34476	Salivaricin A	C[Si]1(CCCOC(=O)C=C)O[Si](C)(CCCOC(=O)C=C)O[Si](C)(CCCOC(=O)C=C)O[Si](C)(CCCOC(=O)C=C)O1	InChI=1S/C28H48O12Si4/c1-9-25(29)33-17-13-21-41(5)37-42(6,22-14-18-34-26(30)10-2)39-44(8,24-16-20-36-28(32)12-4)40-43(7,38-41)23-15-19-35-27(31)11-3/h9-12H,1-4,13-24H2,5-8H3
HMDB34477	FIC	[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@](O)(CC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45-/m1/s1
HMDB34474	Niveusin C	C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12	InChI=1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15-,16-,19+,20+/m0/s1
HMDB34475	Hydroxyisonobilin	C\C=C(\C)C(=O)OC1CC(=C)C(O)CC(O)\C(C)=C/C2OC(=O)C(=C)C12	InChI=1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6-,12-8-
HMDB34478	Bacteriocin 28b	CC1=C(C)C=C2C(NC3=C2C(=O)NC(=O)N3)=C1	InChI=1S/C12H11N3O2/c1-5-3-7-8(4-6(5)2)13-10-9(7)11(16)15-12(17)14-10/h3-4H,1-2H3,(H3,13,14,15,16,17)
HMDB34479	Salivacin 140	ClC(=O)[C@H]1[C@H]2CC3=CC=CC=C3[C@@H]12	InChI=1S/C11H9ClO/c12-11(13)10-8-5-6-3-1-2-4-7(6)9(8)10/h1-4,8-10H,5H2/t8-,9+,10-/m0/s1
HMDB46859	TG(22:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,38,41,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-,41-38-
HMDB46858	TG(22:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,36,39,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-35,37-38,40-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-,39-36-
HMDB45962	TG(20:0/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-
HMDB43878	TG(16:0/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,49H,4-6,8-9,11-15,17-18,20-24,27-48H2,1-3H3/b10-7-,19-16-,26-25-
HMDB45963	TG(20:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,49,52,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,52-49-
HMDB43879	TG(16:0/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,31,33,49H,4-6,8-9,11-15,17-18,20-24,27-30,32,34-48H2,1-3H3/b10-7-,19-16-,26-25-,33-31-
HMDB15367	Bromodiphenhydramine	CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1	InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
HMDB15366	Sevoflurane	FCOC(C(F)(F)F)C(F)(F)F	InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
HMDB15364	Dexamethasone	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
HMDB15363	Metoclopramide	CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC	InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
HMDB15362	Saquinavir	CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1	InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26?,27?,30-,31-,32-,33+/m0/s1
HMDB15361	Diphenidol	OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2
HMDB15360	Paclitaxel	[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
HMDB15369	Chlorprothixene	[H]C(CCN(C)C)=C1C2=CC(Cl)=CC=C2SC2=C1C=CC=C2	InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+
HMDB43870	TG(16:0/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h19,22,26-27,50H,4-18,20-21,23-25,28-49H2,1-3H3/b22-19-,27-26-
HMDB43871	TG(16:0/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,31,33,49H,4-15,17-18,20-24,27-30,32,34-48H2,1-3H3/b19-16-,26-25-,33-31-
HMDB30641	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-b-D-glucopyranoside), Me ester	COC(=O)CC(=O)OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(OC)C=C2)C(O)C(O)C1O	InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-17-8-14(7-16(27)21(17)22(15)30)38-26-25(33)24(32)23(31)18(39-26)11-37-20(29)9-19(28)35-2/h3-8,10,18,23-27,31-33H,9,11H2,1-2H3
HMDB43872	TG(16:0/15:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h13,16,22,25,50H,4-12,14-15,17-21,23-24,26-49H2,1-3H3/b16-13-,25-22-
HMDB29621	Lucyoside Q	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-35(23,7)34(19,6)14-15-36(20,17-25(31)39)30(43)45-29-28(42)27(41)26(40)21(18-37)44-29/h8,20-29,37-42H,9-18H2,1-7H3
HMDB29620	Tricetin	OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
HMDB29623	Torvoside C	CC1C2C(CC3C4CC(OC5OC(C)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC23C)OC11OCC(C)CC1O	InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3
HMDB29622	Isopetasoside	CC1C(CCC2=CC(=O)C(CC12C)=C(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H32O7/c1-10(2)13-8-21(4)11(3)15(6-5-12(21)7-14(13)23)27-20-19(26)18(25)17(24)16(9-22)28-20/h7,11,15-20,22,24-26H,5-6,8-9H2,1-4H3
HMDB29625	3-O-Protocatechuoylceanothic acid	CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(CCC34C)C(C)(C)C(OC(=O)C3=CC(O)=C(O)C=C3)C5C(O)=O)C12)C(O)=O	InChI=1S/C37H50O8/c1-19(2)21-12-15-37(32(43)44)17-16-34(5)22(27(21)37)9-11-26-35(34,6)14-13-25-33(3,4)29(28(30(40)41)36(25,26)7)45-31(42)20-8-10-23(38)24(39)18-20/h8,10,18,21-22,25-29,38-39H,1,9,11-17H2,2-7H3,(H,40,41)(H,43,44)
HMDB29624	Torvoside D	CC1C2C(CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC23C)OC11OCC(C)CC1O	InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3
HMDB29627	1,2,3,5-Tetrachloro-4-methoxybenzene	COC1=C(Cl)C=C(Cl)C(Cl)=C1Cl	InChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3
HMDB29626	Physalin B; 5,6-Dihydro, 6b-hydroxy, 5a-ethoxy	CCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C1CC2O	InChI=1S/C30H36O11/c1-5-37-28-9-6-7-17(31)25(28,3)14-8-10-27(36)23(35)40-26(4)19-12-24(2)16(22(34)39-19)13-38-29(15(14)11-18(28)32)21(33)20(24)30(26,27)41-29/h6-7,14-16,18-20,32,36H,5,8-13H2,1-4H3
HMDB29629	3-Glucosyl-2,4,4',6-tetrahydroxybenzophenone; 2'',6''-Di-O-galloyl	OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC1COC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C(C(=O)C2=CC=C(O)C=C2)=C(O)C=C1O	InChI=1S/C33H28O18/c34-14-3-1-11(2-4-14)24(41)22-15(35)9-16(36)23(28(22)45)30-31(51-33(48)13-7-19(39)26(43)20(40)8-13)29(46)27(44)21(50-30)10-49-32(47)12-5-17(37)25(42)18(38)6-12/h1-9,21,27,29-31,34-40,42-46H,10H2
HMDB29628	Chlorthal	OC(=O)C1=C(Cl)C(Cl)=C(C(O)=O)C(Cl)=C1Cl	InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
HMDB43875	TG(16:0/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,53H,4-15,17-18,20-24,27-52H2,1-3H3/b19-16-,26-25-
HMDB49839	TG(18:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,38,42,45,51,54,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,38-27-,45-42-,54-51-
HMDB43876	TG(16:0/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,53H,4-15,17-18,20-24,27,30-31,33-34,36-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-
HMDB30640	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-b-D-glucopyranoside)	COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=C2)C1=O	InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)
HMDB46792	TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,33,35-36,41-42,44-45,62H,4-16,19,22-25,28,30-32,34,37-40,43,46-61H2,1-3H3/b20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB43877	TG(16:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,40,43,53H,4-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-,43-40-
HMDB46793	TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,34,36,42,45,63H,4-14,16,19,21-23,25,28,30-33,35,37-41,43-44,46-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,36-34-,45-42-
HMDB39970	3,29-Dihydroxy-8-multifloren-7-one; 3a-form, Bis(4-methoxybenzoyl)	COC1=CC=C(C=C1)C(=O)OCC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)C2=CC=C(OC)C=C2)C(C)(C)C1CC4=O	InChI=1S/C46H60O7/c1-41(2)35-26-34(47)38-33(44(35,5)20-19-37(41)53-40(49)30-12-16-32(51-9)17-13-30)18-21-45(6)36-27-42(3,22-23-43(36,4)24-25-46(38,45)7)28-52-39(48)29-10-14-31(50-8)15-11-29/h10-17,35-37H,18-28H2,1-9H3
HMDB39971	3,4-Epoxy-1,5,8-trihydroxy-7(14),10-bisaboladien-2-one; (1R,3R,4R,5S,6S,8x)-form, 8-Angeloyl, 1-Ac	C\C=C(\C)C(=O)OC(CC=C(C)C)C(=C)C1C(O)C2OC2(C)C(=O)C1OC(C)=O	InChI=1S/C22H30O7/c1-8-12(4)21(26)28-15(10-9-11(2)3)13(5)16-17(24)20-22(7,29-20)19(25)18(16)27-14(6)23/h8-9,15-18,20,24H,5,10H2,1-4,6-7H3/b12-8-
HMDB39972	4'-Hydroxyanigorootin	OC1=CC=C(C=C1)C1=C2C(=O)C3(O)OC4=CC=C5C=CC(C6=CC=CC=C6)=C6C(=O)C7(O)OC8=C(C3C7C4=C56)C2=C(C=C8)C=C1	InChI=1S/C38H22O7/c39-22-12-6-19(7-13-22)24-15-9-21-11-17-26-32-28(21)30(24)36(41)38(43)34(32)33-31-25(45-38)16-10-20-8-14-23(18-4-2-1-3-5-18)29(27(20)31)35(40)37(33,42)44-26/h1-17,33-34,39,42-43H
HMDB39973	4',4''-Dihydroxyanigorootin	OC1=CC=C(C=C1)C1=C2C(=O)C3(O)OC4=C5C6C3C3=C2C(C=C1)=CC=C3OC6(O)C(=O)C1=C(C=CC(C=C4)=C51)C1=CC=C(O)C=C1	InChI=1S/C38H22O8/c39-21-9-1-17(2-10-21)23-13-5-19-7-15-25-31-27(19)29(23)35(41)37(43)33(31)34-32-26(45-37)16-8-20-6-14-24(18-3-11-22(40)12-4-18)30(28(20)32)36(42)38(34,44)46-25/h1-16,33-34,39-40,43-44H
HMDB39974	(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol	CC(O)(CO)C1CCC(C)(O)C(O)C1	InChI=1S/C10H20O4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8,11-14H,3-6H2,1-2H3
HMDB39975	p-Menthane-1,2,8,9-tetrol; (1S,2S,4R,8R)-form, 2-O-b-D-Glucopyranoside	CC(O)(CO)C1CCC(C)(O)C(C1)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H30O9/c1-15(22)4-3-8(16(2,23)7-18)5-10(15)25-14-13(21)12(20)11(19)9(6-17)24-14/h8-14,17-23H,3-7H2,1-2H3
HMDB39976	p-Menthane-1,2,8,9-tetrol; (1R*,2R*,4R*,8S*)-form, 9-O-b-D-Glucopyranoside	CC(O)(COC1OC(CO)C(O)C(O)C1O)C1CCC(C)(O)C(O)C1	InChI=1S/C16H30O9/c1-15(22)4-3-8(5-10(15)18)16(2,23)7-24-14-13(21)12(20)11(19)9(6-17)25-14/h8-14,17-23H,3-7H2,1-2H3
HMDB39977	p-Menthane-2,8,9-triol; (1S,2R,4R,8S)-form, 2-O-b-D-Glucopyranoside	CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(C)(O)CO	InChI=1S/C16H30O8/c1-8-3-4-9(16(2,22)7-18)5-10(8)23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3
HMDB39978	p-Menthane-2,8,9-triol; (1S,2R,4R,8S)-form, 9-O-b-D-Glucopyranoside	CC1CCC(CC1O)C(C)(O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H30O8/c1-8-3-4-9(5-10(8)18)16(2,22)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3
HMDB39979	2,5-Diethyl-3,6-dimethylpyrazine	CCC1=NC(C)=C(CC)N=C1C	InChI=1S/C10H16N2/c1-5-9-7(3)12-10(6-2)8(4)11-9/h5-6H2,1-4H3
HMDB49771	TG(18:1(9Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,32,58H,4-15,17-18,20-24,27,29-31,33-57H2,1-3H3/b19-16-,28-25-,32-26-
HMDB58595	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-45,50,54,62,66,81-83,88H,5-20,22-24,28-29,32,34-35,40,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB30643	Blighinone	CC1(O)C(=O)C2=C(O)C=C(C(O)=O)C(O)=C2C2=C1C(=O)C=CC2=O.CC1(O)C(=O)C2=C(O)C(=CC(O)=C2C2=C1C(=O)C=CC2=O)C(O)=O	InChI=1S/2C16H10O8/c1-16(24)12-7(18)3-2-6(17)10(12)9-8(19)4-5(15(22)23)13(20)11(9)14(16)21;1-16(24)12-7(18)3-2-6(17)9(12)11-10(14(16)21)8(19)4-5(13(11)20)15(22)23/h2*2-4,19-20,24H,1H3,(H,22,23)
HMDB43314	TG(15:0/20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,34,37,49H,4-14,16-17,19-23,26,29-33,35-36,38-48H2,1-3H3/b18-15-,25-24-,28-27-,37-34-
HMDB49773	TG(18:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30-32,36,39,45,48,58H,4-15,17-18,20-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,39-36-,48-45-
HMDB47188	TG(24:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,38,41,60H,4-14,16,19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,41-38-
HMDB49772	TG(18:1(9Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30-32,36,39,58H,4-15,17-18,20-24,27,29,33-35,37-38,40-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,39-36-
HMDB47189	TG(24:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,38,41,46,49,60H,4-14,16,19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,41-38-,49-46-
HMDB49775	TG(18:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,54H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-
HMDB49950	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-34,36-37,42-43,45-46,58H,4-15,17-18,20-24,30-31,35,38-41,44,47-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB30642	Bisisodiospyrin	CC1=CC(O)=C2C(=O)C=CC(=O)C2=C1C1=C(O)C2=C(C=C1C)C(=O)C=C(C2=O)C1=CC(=O)C2=C(C(O)=C(C(C)=C2)C2=C(C)C=C(O)C3=C2C(=O)C=CC3=O)C1=O	InChI=1S/C44H26O12/c1-15-9-21-27(49)13-19(41(53)35(21)43(55)33(15)31-17(3)11-29(51)37-23(45)5-7-25(47)39(31)37)20-14-28(50)22-10-16(2)34(44(56)36(22)42(20)54)32-18(4)12-30(52)38-24(46)6-8-26(48)40(32)38/h5-14,51-52,55-56H,1-4H3
HMDB46798	TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,55,66H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB43312	TG(15:0/20:3(5Z,8Z,11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,34,36,42,45,57H,4-25,27,29-33,35,37-41,43-44,46-56H2,1-3H3/b28-26-,36-34-,45-42-
HMDB14096	5'-Hydroxypiroxicam	CN1C(C(=O)NC2=NC=C(O)C=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O	InChI=1S/C15H13N3O5S/c1-18-13(15(21)17-12-7-6-9(19)8-16-12)14(20)10-4-2-3-5-11(10)24(18,22)23/h2-8,19-20H,1H3,(H,16,17,21)
HMDB30645	Sclareapinone	CC(C)C1=CC2=C(C(=O)C1=O)C(CCC(=O)C(C)(C)O)=C(C)C=C2	InChI=1S/C20H24O4/c1-11(2)15-10-13-7-6-12(3)14(17(13)19(23)18(15)22)8-9-16(21)20(4,5)24/h6-7,10-11,24H,8-9H2,1-5H3
HMDB45009	TG(18:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,36,39,45,48,60H,4-15,17-18,20-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,39-36-,48-45-
HMDB45008	TG(18:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-15,17-18,20-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB45007	TG(18:0/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,43,46,58H,4-15,17-18,20-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB45006	TG(18:0/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,33,36,42,45,57H,4-13,15-16,18-22,24,27,29-32,34-35,37-41,43-44,46-56H2,1-3H3/b17-14-,26-23-,28-25-,36-33-,45-42-
HMDB45005	TG(18:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,30,32,35-36,39,41,44,56H,4-16,18-19,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b20-17-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB45004	TG(18:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32-33,36,42,45,57H,4-19,21-22,24,26-27,30-31,34-35,37-41,43-44,46-56H2,1-3H3/b23-20-,28-25-,32-29-,36-33-,45-42-
HMDB45003	TG(18:0/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,38,41,47,50,62H,4-24,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,29-26-,41-38-,50-47-
HMDB45002	TG(18:0/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,36,39,45,48,60H,4-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b28-25-,29-26-,39-36-,48-45-
HMDB14098	5'-Hydroxytenoxicam	CN1\C(=C(/O)NC2=CC=C(O)C=N2)C(=O)C2=C(C=CS2)S1(=O)=O	InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-9-3-2-7(17)6-14-9)11(18)12-8(4-5-22-12)23(16,20)21/h2-6,17,19H,1H3,(H,14,15)/b13-10-
HMDB45000	TG(18:0/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,43,46,58H,4-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b28-25-,29-26-,37-34-,46-43-
HMDB54882	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,48,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,35,37,40,42-44,46-47,49-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-
HMDB47184	TG(24:0/14:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,57H,4-13,16,19-22,24,26-56H2,1-3H3/b17-14-,18-15-,25-23-
HMDB47185	TG(24:0/14:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,58H,4-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-
HMDB36074	Tenuazonic acid	CCC(C)C1NC(=O)C(C(C)=O)=C1O	InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)
HMDB14548	Alprazolam	CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12	InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
HMDB14549	Dexbrompheniramine	CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1	InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1
HMDB14544	Griseofulvin	COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC	InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
HMDB14545	Nisoldipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C	InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
HMDB14546	Eszopiclone	CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1	InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1
HMDB14547	Ceruletide	[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1
HMDB14542	Sorafenib	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1	InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
HMDB14543	Zoledronate	OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O	InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
HMDB11684	N(6)-(Octanoyl)lysine	CCCCCCCC(=O)NCCCCC(N)C(O)=O	InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-11-8-7-9-12(15)14(18)19/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)
HMDB11685	DHAP(8:0)	CCCCCCCC(=O)OCC(=O)COP(O)(O)=O	InChI=1S/C11H21O7P/c1-2-3-4-5-6-7-11(13)17-8-10(12)9-18-19(14,15)16/h2-9H2,1H3,(H2,14,15,16)
HMDB11686	p-Cresol glucuronide	CC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1	InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1
HMDB11687	Phenylbutyrylglutamine	NC(=O)CCC(NC(=O)CCCC1=CC=CC=C1)C(O)=O	InChI=1S/C15H20N2O4/c16-13(18)10-9-12(15(20)21)17-14(19)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,16,18)(H,17,19)(H,20,21)
HMDB11680	Inosine 2',3'-cyclic phosphate	OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=NC2=C1NC=NC2=O	InChI=1S/C10H11N4O7P/c15-1-4-6-7(21-22(17,18)20-6)10(19-4)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1
HMDB11681	Inosine 2'-phosphate	OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=NC2=C1NC=NC2=O	InChI=1S/C10H13N4O8P/c15-1-4-6(16)7(22-23(18,19)20)10(21-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
HMDB11683	Molybdopterin precursor Z	NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP([O-])(=O)OCC1O	InChI=1S/C10H12N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h3-4,7,16H,1-2H2,(H,19,20)(H3,11,12,14,15,18)/p-1
HMDB11688	Ribose 1,5-bisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O	InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
HMDB11689	Trans-2,3-dehydrododecanoyl-CoA	CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28?,32-/m1/s1
HMDB52164	TG(24:1(15Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35,37,39,42,45,65H,4-16,18-19,22-23,27,31-34,36,38,40-41,43-44,46-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-35-,39-30-,45-42-
HMDB52165	TG(24:1(15Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35,37,39,42,45,51,54,65H,4-16,18-19,22-23,27,31-34,36,38,40-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-35-,39-30-,45-42-,54-51-
HMDB52166	TG(24:1(15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,35-36,61H,4-8,10-11,13-17,19,22,24,26,30-34,37-60H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-,36-29-
HMDB52167	TG(24:1(15Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,35-36,41,44,61H,4-8,10-11,13-17,19,22,24,26,30-34,37-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-,36-29-,44-41-
HMDB52160	TG(24:1(15Z)/18:2(9Z,12Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,30,37,62H,4-13,15-16,18-20,22,27,29,31-36,38-61H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,37-30-
HMDB52161	TG(24:1(15Z)/18:2(9Z,12Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,37-38,40,63H,4-16,18-19,22-23,27,31-36,39,41-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-30-,40-38-
HMDB52162	TG(24:1(15Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,37-38,40,46,49,63H,4-16,18-19,22-23,27,31-36,39,41-45,47-48,50-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-30-,40-38-,49-46-
HMDB52163	TG(24:1(15Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,39,65H,4-16,18-19,22-23,27,31-38,40-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-30-
HMDB52168	TG(24:1(15Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,37-38,40,63H,4-7,9-10,12-16,18-19,22-23,27,31-36,39,41-62H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-30-,40-38-
HMDB52169	TG(24:1(15Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,37-38,40,46,49,63H,4-7,9-10,12-16,18-19,22-23,27,31-36,39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-30-,40-38-,49-46-
HMDB36077	p-Menth-8-en-3-ol	CC1CCC(C(O)C1)C(C)=C	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
HMDB59116	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61-62,64,66,68,83-85,90H,5-20,24,28-32,39-40,43,47-49,53,55,58-60,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB59118	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61-62,64,66,68,83-85,90H,5-20,24,29-31,39-40,43,47-49,53,55,58-60,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB59119	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB36071	Dendrolasin	CC(C)=CCC\C(C)=C\CCC1=COC=C1	InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+
HMDB51863	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB13019	Neuromedin C 1-8	CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](CC1=CNC=N1)NC(=O)[C@@H](CC(O)=N)NC(=O)CN)C(=O)NCC(=O)N[C@H](CC1=CNC=N1)C(O)=N	InChI=1S/C39H53N15O9/c1-19(2)33(39(63)46-16-32(57)50-26(34(42)58)9-22-14-43-17-47-22)54-35(59)20(3)49-36(60)27(8-21-13-45-25-7-5-4-6-24(21)25)52-37(61)28(10-23-15-44-18-48-23)53-38(62)29(11-30(41)55)51-31(56)12-40/h4-7,13-15,17-20,26-29,33,45H,8-12,16,40H2,1-3H3,(H2,41,55)(H2,42,58)(H,43,47)(H,44,48)(H,46,63)(H,49,60)(H,50,57)(H,51,56)(H,52,61)(H,53,62)(H,54,59)/t20-,26+,27-,28+,29+,33+/m0/s1
HMDB13018	Neuromedin B	CSCC[C@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)=N)NC(=O)CN)[C@@H](C)O)C(O)=N	InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29-,35+,36+,37-,38-,39+,40-,44+/m1/s1
HMDB13017	Neuromedin B (4-10)	CSCC[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](N)CC1=CNC2=CC=CC=C12)[C@@H](C)O)C(O)=N	InChI=1S/C40H53N11O8S/c1-22(47-37(56)28(41)16-25-18-44-29-12-8-7-11-27(25)29)36(55)51-34(23(2)52)40(59)45-20-33(53)48-32(17-26-19-43-21-46-26)39(58)50-31(15-24-9-5-4-6-10-24)38(57)49-30(35(42)54)13-14-60-3/h4-12,18-19,21-23,28,30-32,34,44,52H,13-17,20,41H2,1-3H3,(H2,42,54)(H,43,46)(H,45,59)(H,47,56)(H,48,53)(H,49,57)(H,50,58)(H,51,55)/t22-,23-,28-,30-,31+,32-,34-/m1/s1
HMDB13016	Neuromedin B (1-3)	CC(C)C[C@@H](NC(=O)[C@H](CC(O)=N)NC(=O)CN)C(O)=O	InChI=1S/C12H22N4O5/c1-6(2)3-8(12(20)21)16-11(19)7(4-9(14)17)15-10(18)5-13/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t7-,8+/m0/s1
HMDB13010	N-Heptanoylglycine	CCCCCCC(=O)NCC(O)=O	InChI=1S/C9H17NO3/c1-2-3-4-5-6-8(11)10-7-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13)
HMDB07023	DG(14:0/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,19-20,24,26,35,38H,3-15,18,21-23,25,27-34H2,1-2H3/b17-16-,20-19-,26-24-/t35-/m0/s1
HMDB07022	DG(14:0/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,35,38H,3-10,12,14-15,18-34H2,1-2H3/b13-11-,17-16-/t35-/m0/s1
HMDB07021	DG(14:0/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,35,38H,3-15,18-34H2,1-2H3/b17-16-/t35-/m0/s1
HMDB07020	DG(14:0/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1
HMDB07027	DG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,24,26,35,38H,3-4,6,8-10,12,14-15,18,21-23,25,27-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,26-24-/t35-/m0/s1
HMDB07026	DG(14:0/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,35,38H,3-4,6,8-10,12,14-15,18,21-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-/t35-/m0/s1
HMDB07025	DG(14:0/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,24,26,35,38H,3-10,12,14-15,18,21-23,25,27-34H2,1-2H3/b13-11-,17-16-,20-19-,26-24-/t35-/m0/s1
HMDB07024	DG(14:0/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,35,38H,3-10,12,14-15,18,21-34H2,1-2H3/b13-11-,17-16-,20-19-/t35-/m0/s1
HMDB07029	DG(14:0/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h16-17,37,40H,3-15,18-36H2,1-2H3/b17-16-/t37-/m0/s1
HMDB07028	DG(14:0/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
HMDB43603	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,40,43,49,52,61H,4-16,18-19,21-25,27,29-32,34-35,37-39,41-42,44-48,50-51,53-60H2,1-3H3/b20-17-,28-26-,36-33-,43-40-,52-49-
HMDB43602	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,38,41,47,50,59H,4-16,18-19,21-25,27,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b20-17-,28-26-,34-32-,41-38-,50-47-
HMDB43601	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,45,48,57H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,27-25-,32-30-,39-36-,48-45-
HMDB43600	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,43,46,55H,4-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b19-16-,27-25-,30-29-,37-34-,46-43-
HMDB43607	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,43,46,55H,4-15,17-18,20-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB43606	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,43,46,55H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-,46-43-
HMDB43605	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,35,41,44,53H,4-15,17-18,21-22,24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-32-,44-41-
HMDB43604	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,39,42,51H,4-14,17,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-,42-39-
HMDB12654	2beta-Hydroxytestosterone	C[C@]12CCC3C(CCC4=CC(=O)[C@@H](O)C[C@]34C)C1CC[C@@H]2O	InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12?,13?,14?,16-,17-,18-,19-/m0/s1
HMDB43609	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-15,17-18,20-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-
HMDB43608	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,45,48,57H,4-15,17-18,20-24,29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-,48-45-
HMDB56802	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-38,41-45,50-51,54-55,62,66,82-84,89H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,46-49,52-53,56-61,63-65,67-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,66-62-/t82?,83-,84-/m1/s1
HMDB00552	3-Methylglutarylcarnitine	CC(CC([O-])=O)CC(=O)OC(CC(O)=O)C[N+](C)(C)C	InChI=1S/C13H23NO6/c1-9(5-11(15)16)6-13(19)20-10(7-12(17)18)8-14(2,3)4/h9-10H,5-8H2,1-4H3,(H-,15,16,17,18)
HMDB00553	3L,7D,11D-Phytanic acid	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(O)=O	InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19+/m1/s1
HMDB00550	5-Androstenetriol	[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-,19-/m0/s1
HMDB00551	Etiocholanediol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1
HMDB00556	5b-Cholestane-3a,7a,12a,24,25-pentol	[H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C	InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16?,17-,18-,19+,20+,21-,22?,23+,24+,26+,27-/m1/s1
HMDB00557	L-Alloisoleucine	CC[C@@H](C)[C@H](N)C(O)=O	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
HMDB00554	Dihydroandrosterone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
HMDB00555	3-Methyladipic acid	C[C@@H](CCC(O)=O)CC(O)=O	InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
HMDB00558	5a-Cholestane-3a,7a,12a,23,25-pentol	[H][C@@]12CC[C@H]([C@@H](C)CC(O)CC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17+,18?,19+,20-,21-,22+,23-,24-,26-,27+/m0/s1
HMDB00559	3-Methoxy-4-hydroxyphenylethyleneglycol sulfate	COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)CO	InChI=1S/C9H12O7S/c1-15-9-4-6(7(11)5-10)2-3-8(9)16-17(12,13)14/h2-4,7,10-11H,5H2,1H3,(H,12,13,14)
HMDB58919	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB58918	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,36-38,41-45,50-51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,29-30,35,39-40,46-49,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-/t82?,83-,84-/m1/s1
HMDB58913	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(106-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-48,51-53,57,59-60,63-64,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,49-50,54-56,58,61-62,65-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,51-47-,52-48-,57-53-,63-59-,64-60-/t84?,85-,86-/m1/s1
HMDB58912	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,42,44-47,50,52,56,58,62,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,48-49,51,53-55,57,59-61,63-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,50-47-,56-52-,62-58-/t83?,84-,85-/m1/s1
HMDB58911	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,53-54,57-58,65,69,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-52,55-56,59-64,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,57-53-,58-54-,69-65-/t85?,86-,87-/m1/s1
HMDB58910	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,53-54,57-58,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-52,55-56,59-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,57-53-,58-54-/t86-,87-/m1/s1
HMDB58917	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB58916	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,46-49,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-/t82?,83-,84-/m1/s1
HMDB58915	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-49,53-55,58-59,61,65,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,50-52,56-57,60,62-64,66-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,53-49-,58-54-,59-55-,65-61-/t86?,87-,88-/m1/s1
HMDB58914	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,43-44,46-49,53-55,58-59,61,65,67,71,86-88,93H,5-8,10-12,14-20,24,29-31,36,41-42,45,50-52,56-57,60,62-64,66,68-70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,53-49-,58-54-,59-55-,65-61-,71-67-/t86?,87-,88-/m1/s1
HMDB57245	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,37,42,46,54,58,77-79,84H,5-20,22-24,27,29,31,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB00089	Cytidine	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
HMDB00082	Cytidine triphosphate	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
HMDB00085	Deoxyguanosine	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1	InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
HMDB00086	Glycerophosphocholine	C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](O)CO	InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m0/s1
HMDB00087	Dimethylamine	CNC	InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
HMDB11303	PC(P-18:1(9Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,19-20,32,35,39H,6-12,14,16-18,21-31,33-34,36-38H2,1-5H3/b15-13-,20-19-,35-32-
HMDB11302	PC(P-18:1(9Z)/14:0)	CCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h19-20,32,35,39H,6-18,21-31,33-34,36-38H2,1-5H3/b20-19-,35-32-
HMDB11305	PC(P-18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,34,37,41H,6-19,22-33,35-36,38-40H2,1-5H3/b21-20-,37-34-/t41-/m1/s1
HMDB11304	PC(P-18:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,33,36,40H,6-19,22-32,34-35,37-39H2,1-5H3/b21-20-,36-33-
HMDB11307	PC(P-18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-/t43-/m1/s1
HMDB11306	PC(P-18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h17,19-21,34,37,41H,6-16,18,22-33,35-36,38-40H2,1-5H3/b19-17-,21-20-,37-34-/t41-/m1/s1
HMDB11309	PC(P-18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36,39,43H,6-19,24-35,37-38,40-42H2,1-5H3/b22-20-,23-21-,39-36-/t43-/m1/s1
HMDB11308	PC(P-18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,36,39,43H,6-16,18,21,23-35,37-38,40-42H2,1-5H3/b19-17-,22-20-,39-36-/t43-/m1/s1
HMDB52982	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28,30-32,36,38-39,41,58H,4-6,8-9,11-15,18,22-23,27,29,33-35,37,40,42-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-
HMDB52983	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28,30-32,36,38-39,41,45,48,58H,4-6,8-9,11-15,18,22-23,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-
HMDB52980	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28,30,32,34,36,39,56H,4-6,8-9,11-15,18,22-23,27,29,31,33,35,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-
HMDB52981	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28,30,32,34,36,39-40,43,56H,4-6,8-9,11-15,18,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB52986	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16-17,20,22,25-27,29-30,35,38,55H,4-12,14-15,18-19,21,23-24,28,31-34,36-37,39-54H2,1-3H3/b16-13-,20-17-,25-22-,29-26-,30-27-,38-35-
HMDB52987	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-32,34,36,39,56H,4-15,18,21-24,29,33,35,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-
HMDB52984	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,38,55H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-54H2,1-3H3/b20-17-,24-21-,29-26-,38-35-
HMDB52985	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,54H,4-15,18,21-24,31-33,36,39-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB52988	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-32,34,36,39-40,43,56H,4-15,18,21-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB52989	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32-33,38,41,58H,4-15,18,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-,33-27-,41-38-
HMDB47478	TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,38,41,47,50,62H,4-8,10-11,13-16,19,22-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,50-47-
HMDB48985	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,28,31,37,40,52H,4-6,8-9,11-15,17-18,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,31-28-,40-37-
HMDB48984	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-
HMDB48987	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,33,39,42,54H,4-6,8-9,11-15,17-18,20,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,33-30-,42-39-
HMDB48986	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,33,39,42,54H,4-6,8-9,11-15,17-18,22,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,33-30-,42-39-
HMDB48981	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,40,43,56H,4-6,9,12-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB48980	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,56H,4-6,9,12-15,18,22-23,29-30,33,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-
HMDB48983	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-6,9,12-15,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-
HMDB48982	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32,34,36-37,39,58H,4-6,9,12-15,18,22-23,29,31,33,35,38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-
HMDB48989	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-16,18-19,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB48988	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,35,41,44,56H,4-7,9-10,12-16,18-19,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-32-,44-41-
HMDB47479	TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,38,41-42,45,47,50,62H,4-8,10-11,13-16,19,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB06868	S-(2-Methylpropionyl)-dihydrolipoamide-E	CC(C)C(=O)SCCC(S)CCCCC(N)=O	InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)
HMDB06869	S-(2-Methylbutanoyl)-dihydrolipoamide	CCC(C)C(=O)SCCC(S)CCCCC(N)=O	InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)
HMDB49050	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,38,44,47,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,38-35-,47-44-
HMDB49051	TG(16:1(9Z)/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h20-21,23-24,51H,4-19,22,25-50H2,1-3H3/b23-20-,24-21-
HMDB49052	TG(16:1(9Z)/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,53H,4-19,22,25-52H2,1-3H3/b23-20-,24-21-
HMDB49053	TG(16:1(9Z)/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,53H,4-20,22-23,25,27,29-52H2,1-3H3/b24-21-,28-26-
HMDB49054	TG(16:1(9Z)/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,55H,4-20,22-23,26,28-54H2,1-3H3/b24-21-,27-25-
HMDB06865	3-Methyl-1-hydroxybutyl-ThPP	CC(C)CC(O)C1=[N+](CC2=C(N)N=C(C)N=C2)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1	InChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1
HMDB06866	2-Methyl-1-hydroxypropyl-ThPP	CC(C)C(O)C1=[N+](CC2=C(N)N=C(C)N=C2)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1	InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1
HMDB06867	S-(3-Methylbutanoyl)-dihydrolipoamide-E	CC(C)CC(=O)SCCC(S)CCCCC(N)=O	InChI=1S/C13H25NO2S2/c1-10(2)9-13(16)18-8-7-11(17)5-3-4-6-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)
HMDB58096	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-37,39-40,42-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,38,41,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB50852	TG(20:1(11Z)/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33,36,42,45,59H,4-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b28-25-,29-26-,36-33-,45-42-
HMDB50853	TG(20:1(11Z)/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,61H,4-24,27,30-60H2,1-3H3/b28-25-,29-26-
HMDB50850	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB50851	TG(20:1(11Z)/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,59H,4-24,27,30-58H2,1-3H3/b28-25-,29-26-
HMDB50856	TG(20:1(11Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31,37,40,57H,4-17,19-20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b21-18-,28-25-,31-27-,40-37-
HMDB50857	TG(20:1(11Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,58H,4-13,15-16,18-22,24,27,29-57H2,1-3H3/b17-14-,26-23-,28-25-
HMDB50854	TG(20:1(11Z)/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-
HMDB50855	TG(20:1(11Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32,58H,4-19,21-22,24,26-27,30-31,33-57H2,1-3H3/b23-20-,28-25-,32-29-
HMDB50858	TG(20:1(11Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,59H,4-15,17-18,20-24,27,30-32,34-35,37-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-
HMDB50859	TG(20:1(11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,59H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-
HMDB56415	CL(16:0/16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,26,28-30,32,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1
HMDB56416	CL(16:0/16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,26,28-30,32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB58092	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB56188	DG(18:1n7/0:0/22:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41,44H,3-10,12,15,18,20-40H2,1-2H3/b13-11-,16-14-,19-17-
HMDB56189	DG(18:1n7/0:0/22:4n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,41,44H,3-10,12,15,18,20,23-25,27,29-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-
HMDB56186	DG(18:1n7/0:0/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,39,42H,3-10,12,15,18,20-21,23,25-38H2,1-2H3/b13-11-,16-14-,19-17-,24-22-
HMDB56187	DG(18:1n7/0:0/20:4n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,39,42H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,16-14-,19-17-,24-22-,30-28-
HMDB56184	DG(18:1n7/0:0/18:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,37,40H,3-10,12,15,18,20-22,24,26-36H2,1-2H3/b13-11-,16-14-,19-17-,25-23-
HMDB56185	DG(18:1n7/0:0/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,14-17,38,41H,3-8,10,12-13,18-37H2,1-2H3/b11-9-,16-14-,17-15-
HMDB56182	DG(18:1n7/0:0/24:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,43,46H,3-13,15,18,20-42H2,1-2H3/b16-14-,19-17-
HMDB56183	DG(18:1n7/0:0/18:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,19,21,38,41H,3-12,17-18,20,22-37H2,1-2H3/b15-13-,16-14-,21-19-
HMDB56180	DG(18:1n7/0:0/20:3n9)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,39,42H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b16-14-,19-17-,24-22-,30-28-
HMDB56181	DG(18:1n7/0:0/22:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,41,44H,3-13,15,18,20-40H2,1-2H3/b16-14-,19-17-
HMDB30368	(3R,5Z)-5-Octene-1,3-diol	CC\C=C/CC(O)CCO	InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h3-4,8-10H,2,5-7H2,1H3/b4-3-
HMDB30369	5-Octene-1,3-diol; (3x,5Z)-form, 1-Ac	CC\C=C/CC(O)CCOC(C)=O	InChI=1S/C10H18O3/c1-3-4-5-6-10(12)7-8-13-9(2)11/h4-5,10,12H,3,6-8H2,1-2H3/b5-4-
HMDB30366	Cavipetin C	C\C(CC\C=C(/C)CC\C=C(/C)C=O)=C/CC\C(C)=C\COC(=O)C(\C)=C\O	InChI=1S/C24H36O4/c1-19(9-6-10-20(2)12-8-14-22(4)17-25)11-7-13-21(3)15-16-28-24(27)23(5)18-26/h10-11,14-15,17-18,26H,6-9,12-13,16H2,1-5H3/b19-11+,20-10+,21-15+,22-14+,23-18+
HMDB30367	3-Hydroxy-5-octenoic acid; (3R,5Z)-form, Et ester	CCOC(=O)CC(O)C\C=C/CC	InChI=1S/C10H18O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h5-6,9,11H,3-4,7-8H2,1-2H3/b6-5-
HMDB30364	Cavipetin E	C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)C(\C)=C\C(O)=O)=C/CC\C(C)=C\COC(=O)\C=C\C(O)=O.C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)\C=C\C(O)=O)=C/CC\C(C)=C\COC(=O)C(\C)=C\C(O)=O	InChI=1S/2C29H40O8/c1-21(11-7-13-23(3)17-18-36-29(35)25(5)19-27(32)33)9-6-10-22(2)12-8-14-24(4)20-37-28(34)16-15-26(30)31;1-21(11-7-13-23(3)17-18-36-28(34)16-15-26(30)31)9-6-10-22(2)12-8-14-24(4)20-37-29(35)25(5)19-27(32)33/h2*10-11,14-17,19H,6-9,12-13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b2*16-15+,21-11+,22-10+,23-17+,24-14+,25-19+
HMDB30365	Cavipetin D	C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC(=O)C(\C)=C\C(O)=O	InChI=1S/C25H38O5/c1-19(9-6-10-20(2)12-8-14-22(4)18-26)11-7-13-21(3)15-16-30-25(29)23(5)17-24(27)28/h10-11,14-15,17,26H,6-9,12-13,16,18H2,1-5H3,(H,27,28)/b19-11+,20-10+,21-15+,22-14+,23-17+
HMDB30362	Cavipetin B	C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)\C=C\C(O)=O)=C/CC\C(C)=C\COC(=O)\C=C\C(O)=O	InChI=1S/C28H38O8/c1-21(10-6-12-23(3)18-19-35-27(33)16-14-25(29)30)8-5-9-22(2)11-7-13-24(4)20-36-28(34)17-15-26(31)32/h9-10,13-18H,5-8,11-12,19-20H2,1-4H3,(H,29,30)(H,31,32)/b16-14+,17-15+,21-10+,22-9+,23-18+,24-13+
HMDB30363	Cavipetin A	C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)C(\C)=C\C(O)=O)=C/CC\C(C)=C\COC(=O)C(\C)=C\C(O)=O	InChI=1S/C30H42O8/c1-21(12-8-14-23(3)16-17-37-29(35)25(5)18-27(31)32)10-7-11-22(2)13-9-15-24(4)20-38-30(36)26(6)19-28(33)34/h11-12,15-16,18-19H,7-10,13-14,17,20H2,1-6H3,(H,31,32)(H,33,34)/b21-12+,22-11+,23-16+,24-15+,25-18+,26-19+
HMDB30360	(+)-Aspidospermidine	CCC12CCCN3CCC4(C(CC1)NC1=CC=CC=C41)C23	InChI=1S/C19H26N2/c1-2-18-9-5-12-21-13-11-19(17(18)21)14-6-3-4-7-15(14)20-16(19)8-10-18/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3
HMDB30361	(-)-Aspidospermine	[H][C@@]12CC[C@@]3(CC)CCCN4CC[C@]1(C1=C(N2C(C)=O)C(OC)=CC=C1)[C@@]34[H]	InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1
HMDB55989	DG(15:0/0:0/18:1n7)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,34,37H,3-12,14,16-33H2,1-2H3/b15-13-
HMDB55988	DG(15:0/0:0/16:1n7)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C34H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,32,35H,3-16,18,20-31H2,1-2H3/b19-17+
HMDB58091	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB55983	DG(15:0/0:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3
HMDB55982	DG(15:0/0:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3
HMDB55981	DG(15:0/0:0/15:0)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-31(34)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3
HMDB55980	DG(14:0/0:0/22:6n3)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-
HMDB55987	DG(15:0/0:0/14:1n5)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-30(33)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,30,33H,3-17,19,21-29H2,1-2H3/b20-18+
HMDB55986	DG(15:0/0:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3
HMDB55985	DG(15:0/0:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3
HMDB55984	DG(15:0/0:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3
HMDB57859	CL(18:1(11Z)/16:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,34,37,73-75,80H,5-24,26-28,30-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,37-34-/t73?,74-,75-/m1/s1
HMDB57858	CL(18:1(11Z)/16:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,29,34,36,71-73,78H,5-24,26-28,30-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,36-34-/t71?,72-,73-/m1/s1
HMDB57853	CL(18:1(11Z)/16:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36,39,74-76,81H,5-24,28,32-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,39-36-/t74?,75-,76-/m1/s1
HMDB57852	CL(18:1(11Z)/16:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,38,73-75,80H,5-24,27-28,31-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,38-35-/t73?,74-,75-/m1/s1
HMDB57851	CL(18:1(11Z)/16:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,73-75,80H,5-24,28,32-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-/t73?,74-,75-/m1/s1
HMDB57850	CL(18:1(11Z)/16:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25-27,29-31,71-73,78H,5-24,28,32-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-/t71?,72-,73-/m1/s1
HMDB57857	CL(18:1(11Z)/16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57856	CL(18:1(11Z)/16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB54499	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33,35,37,40,43,49,52,63H,4-6,8-9,11-15,18,22-23,27,31-32,34,36,38-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,37-30-,43-40-,52-49-
HMDB57854	CL(18:1(11Z)/16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,40,44,52,56,75-77,82H,5-20,22-24,28-29,32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB02936	cis-7,7',8,8',11,12-Hexahydro-Carotene	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
HMDB02937	Tamarixetin	COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O	InChI=1S/C16H14O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3
HMDB56728	CL(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-/t82?,83-,84-/m1/s1
HMDB02935	cis-b,b-Carotene	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25+,28-26+,31-17-,32-18+,33-21+,34-22+
HMDB02931	N-Acetylserine	CC(=O)N[C@@H](CO)C(O)=O	InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
HMDB56722	CL(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-42-45-49-53-57-61-65-78(83)91-71-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-38-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,42,49,53,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-41,43-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,42-39-,53-49-/t74?,75-,76-/m1/s1
HMDB56723	CL(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-42,44,52,56,77-79,84H,5-20,22-24,28-29,32,34-35,39,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,40-37-,41-38-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB56720	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-38,40-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-/t79?,80-,81-/m1/s1
HMDB56721	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-38,40-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56726	CL(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-43,46,50,58,62,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB56727	CL(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB56724	CL(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,41-43,45,47,53,55,57,59,78-80,85H,5-20,23-24,28-30,32,35,39-40,44,46,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,36-33-,37-34-,41-38-,45-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1
HMDB02939	Methyl isobutyl ketone	CC(C)CC(C)=O	InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
HMDB03045	Ergothioneine	C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C([O-])=O	InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
HMDB03040	Arabinosylhypoxanthine	OC[C@H]1OC([C@@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7+,10?/m1/s1
HMDB02398	Crocin	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1
HMDB07533	DG(20:4(8Z,11Z,14Z,17Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,37,40H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-/t37-/m0/s1
HMDB51246	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,35,38,44,47,61H,4-15,17-18,20-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b19-16-,28-25-,29-26-,38-35-,47-44-
HMDB02396	Trimethyltridecanoic acid	CC(C)CCCC(C)CCCC(C)CCC(O)=O	InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18)
HMDB42052	trimethylselenonium	C[Se+](C)C	InChI=1S/C3H9Se/c1-4(2)3/h1-3H3/q+1
HMDB51247	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35-37,39-41,44-46,48-49,62H,4-15,17-18,20-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB31978	6'-Oxo-6,6'-diapo-6-carotenoic acid; (9Z)-form, Me ester	COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=O	InChI=1S/C25H30O3/c1-21(13-8-15-23(3)17-10-20-26)11-6-7-12-22(2)14-9-16-24(4)18-19-25(27)28-5/h6-20H,1-5H3/b7-6+,13-8+,14-9+,17-10+,19-18+,21-11+,22-12+,23-15+,24-16-
HMDB31979	8'-Oxo-6,8'-diapo-6-carotenoic acid; (9Z)-form, Me ester	COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)C=O	InChI=1S/C23H28O3/c1-19(12-8-14-21(3)16-17-23(25)26-5)10-6-7-11-20(2)13-9-15-22(4)18-24/h6-18H,1-5H3/b7-6+,12-8+,13-9+,17-16+,19-10+,20-11+,21-14-,22-15+
HMDB33185	Anigorootin	OC12OC3=CC=C4C=CC(C5=CC=CC=C5)=C5C(=O)C6(O)OC7=C(C1C6C3=C45)C1=C(C=C7)C=CC(C3=CC=CC=C3)=C1C2=O	InChI=1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H
HMDB33184	Pondaplin	C\C1=C\COC2=CC=C(C=C2)\C=C/C(=O)OC1	InChI=1S/C14H14O3/c1-11-8-9-16-13-5-2-12(3-6-13)4-7-14(15)17-10-11/h2-8H,9-10H2,1H3/b7-4-,11-8-
HMDB33183	2-Benzofurancarboxaldehyde	O=CC1=CC2=C(O1)C=CC=C2	InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
HMDB33182	2,5-Dimethylfuran	CC1=CC=C(C)O1	InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
HMDB33181	Camelliol A	C\C(CCC1C(C)=CCC(O)C1(C)C)=C/CCC1=C(C)CCC2(C)CCC(C)(C)CC12	InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,13,25-27,31H,9,11-12,14-20H2,1-8H3/b21-10+
HMDB33180	15-Nonacosanol	CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCC	InChI=1S/C29H60O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
HMDB31970	1beta-Hydroxyalantolactone	CC1CCC(O)C2(C)CC3OC(=O)C(=C)C3C=C12	InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3
HMDB31971	Xanthotoxol arabinoside	OC1COC(OC2=C3OC=CC3=CC3=C2OC(=O)C=C3)C(O)C1O	InChI=1S/C16H14O8/c17-9-6-22-16(12(20)11(9)19)24-15-13-8(3-4-21-13)5-7-1-2-10(18)23-14(7)15/h1-5,9,11-12,16-17,19-20H,6H2
HMDB31972	Heliespirone A	CC1=CC(=O)C2(CC1=O)OC(CC2C=C)C(C)(C)O	InChI=1S/C15H20O4/c1-5-10-7-13(14(3,4)18)19-15(10)8-11(16)9(2)6-12(15)17/h5-6,10,13,18H,1,7-8H2,2-4H3
HMDB31973	(2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol	OC1COC(OC1)\C=C\C1=CC=CC=C1	InChI=1S/C12H14O3/c13-11-8-14-12(15-9-11)7-6-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2/b7-6+
HMDB31974	Malvidin 6-(6-p-coumaroylglucoside)-4-vinylphenol	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C1=CC=C(O)C=C1)=CC(O)=C2	InChI=1S/C40H34O15/c1-49-29-13-21(14-30(50-2)34(29)45)38-39(25-17-26(20-6-10-23(42)11-7-20)52-27-15-24(43)16-28(53-38)33(25)27)55-40-37(48)36(47)35(46)31(54-40)18-51-32(44)12-5-19-3-8-22(41)9-4-19/h3-17,31,35-37,40,46-48H,18H2,1-2H3,(H3-,41,42,43,44,45)/p+1
HMDB31975	3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one	COC1=C(OC2=C(C=CC=C2)C1=O)C(=O)C1=CC=C(C)C=C1	InChI=1S/C18H14O4/c1-11-7-9-12(10-8-11)15(19)18-17(21-2)16(20)13-5-3-4-6-14(13)22-18/h3-10H,1-2H3
HMDB31976	10'-Oxo-6,10'-diapo-6-carotenoic acid; (9Z)-form, Me ester	COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=O	InChI=1S/C20H24O3/c1-17(9-5-6-10-18(2)13-8-16-21)11-7-12-19(3)14-15-20(22)23-4/h5-16H,1-4H3/b6-5+,11-7+,13-8+,15-14+,17-9+,18-10+,19-12-
HMDB31977	6'-Oxo-6,5'-diapo-6-carotenoic acid; (9Z)-form, Me ester	COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C)=O	InChI=1S/C26H32O3/c1-21(13-9-15-23(3)17-19-25(5)27)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)29-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15+,24-16-
HMDB50070	TG(18:1(9Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-34,36-37,42,45,58H,4-15,18,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB50071	TG(18:1(9Z)/20:3n6/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34,36,39,60H,4-15,18,21-24,30-33,35,37-38,40-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,39-36-
HMDB50072	TG(18:1(9Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,36,38-39,41,60H,4-15,18,21-24,30,32,35,37,40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-
HMDB50073	TG(18:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,36,38-39,41,47,50,60H,4-15,18,21-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-
HMDB50074	TG(18:1(9Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-32,35,56H,4-7,9-10,12-15,18,21-24,29,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-
HMDB50075	TG(18:1(9Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-32,35-36,39,56H,4-7,9-10,12-15,18,21-24,29,33-34,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-
HMDB50076	TG(18:1(9Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-34,36-37,58H,4-6,8-9,11-15,18,21-24,30-31,35,38-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-
HMDB50077	TG(18:1(9Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-34,36-37,42,45,58H,4-6,8-9,11-15,18,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB50078	TG(18:1(9Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,36,38-39,41,60H,4-6,8-9,11-15,18,21-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-
HMDB50079	TG(18:1(9Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,36,38-39,41,47,50,60H,4-6,8-9,11-15,18,21-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-
HMDB41218	(Z)-1,5-Undecadiene	CCCCC\C=C/CCC=C	InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,9,11H,1,4-8,10H2,2H3/b11-9-
HMDB54760	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,42-43,45,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-
HMDB54761	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,38,41-42,45,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-
HMDB54762	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,38,41-42,45,47,50,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB41219	Allyl cinnamate	C=CCOC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8-
HMDB54764	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB54765	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-
HMDB54766	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,45-46,48-49,68H,4-16,19,22-24,31-35,38,41-44,47,50-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB54767	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,45-46,48-49,54,57,68H,4-16,19,22-24,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-
HMDB54768	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,42,45,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-
HMDB46248	TG(20:0/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,61H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-60H2,1-3H3/b19-16-,28-25-,34-32-,42-39-
HMDB58142	CL(18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB46249	TG(20:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,48,51,61H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,28-25-,34-32-,42-39-,51-48-
HMDB08981	PE(16:1(9Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16-18,43H,3-13,15,19-42,46H2,1-2H3,(H,49,50)/b16-14-,18-17-/t43-/m1/s1
HMDB08980	PE(16:1(9Z)/24:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1
HMDB08983	PE(16:1(9Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16,31,34,38H,3-13,15,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,34-31-/t38-/m1/s1
HMDB08982	PE(16:1(9Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,29,32,36H,3-13,15,17-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b16-14-,32-29-/t36-/m1/s1
HMDB08985	PE(16:1(9Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16-18,31,34,38H,3-13,15,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,18-17-,34-31-/t38-/m1/s1
HMDB08984	PE(16:1(9Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13-16,31,34,38H,3-12,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,16-14-,34-31-/t38-/m1/s1
HMDB08987	PE(18:0/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,35H,3-9,11,13-34,38H2,1-2H3,(H,41,42)/b12-10-/t35-/m1/s1
HMDB08986	PE(18:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
HMDB08989	PE(18:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1
HMDB08988	PE(18:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h36H,3-35,39H2,1-2H3,(H,42,43)/t36-/m1/s1
HMDB42029	tetrazepam	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CCCCC1	InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3
HMDB58145	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,43-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,29-30,35-36,39-42,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,47-43-,48-44-,59-55-,60-56-/t80-,81-/m1/s1
HMDB46914	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-
HMDB46244	TG(20:0/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C60H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,58H,4-13,15-16,18-22,24-25,27-57H2,1-3H3/b17-14-,26-23-
HMDB46916	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35,37,40,46,49,61H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-30-,40-37-,49-46-
HMDB46917	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,39-40,43,45,48,60H,4-7,9-10,12-16,19,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB46910	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,36,39,45,48,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-36-,48-45-
HMDB46911	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,39-36-,48-45-
HMDB46912	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,50-47-
HMDB46245	TG(20:0/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,59H,4-15,17-18,20-24,26-27,29-32,34-35,37-58H2,1-3H3/b19-16-,28-25-,36-33-
HMDB58147	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,45,49-50,54,57,61,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46-48,51-53,55-56,58-60,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,49-45-,54-50-,61-57-/t81?,82-,83-/m1/s1
HMDB46918	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,37,40,46,49,61H,4-7,9-10,12-14,16,19,21-23,25,28,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,40-37-,49-46-
HMDB46246	TG(20:0/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,59H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b19-16-,28-25-,36-33-,45-42-
HMDB46247	TG(20:0/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,61H,4-15,17-18,20-24,26-27,29-60H2,1-3H3/b19-16-,28-25-
HMDB46240	TG(20:0/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-
HMDB46966	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,34,36-37,42,45,51,54,63H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-33,35,38-41,43-44,46-50,52-53,55-62H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,37-30-,45-42-,54-51-
HMDB46241	TG(20:0/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-
HMDB41214	Betavulgarin xyloside	COC1=C2OCOC2=CC2=C1C(=O)C(=CO2)C1=CC=CC=C1OC1OCC(O)C(O)C1O	InChI=1S/C22H20O10/c1-27-21-16-14(6-15-20(21)31-9-30-15)28-7-11(17(16)24)10-4-2-3-5-13(10)32-22-19(26)18(25)12(23)8-29-22/h2-7,12,18-19,22-23,25-26H,8-9H2,1H3
HMDB41215	Betavulgarin glucoside	COC1=C2OCOC2=CC2=C1C(=O)C(=CO2)C1=CC=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C23H22O11/c1-29-22-16-13(6-14-21(22)32-9-31-14)30-8-11(17(16)25)10-4-2-3-5-12(10)33-23-20(28)19(27)18(26)15(7-24)34-23/h2-6,8,15,18-20,23-24,26-28H,7,9H2,1H3
HMDB46799	TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35-36,41,44,62H,4-8,10-11,13-16,19,22-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-
HMDB09588	PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,43H,3-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1
HMDB09589	PE(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27-28,30,43H,3-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1
HMDB09582	PE(22:4(7Z,10Z,13Z,16Z)/15:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,40H,3-10,12,14-16,19,22,24,26-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-/t40-/m1/s1
HMDB09583	PE(22:4(7Z,10Z,13Z,16Z)/16:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,41H,3-10,12,14-16,19,22-23,26-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-,21-20-,25-24-/t41-/m1/s1
HMDB09580	PE(22:4(7Z,10Z,13Z,16Z)/14:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,39H,3-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
HMDB09581	PE(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,39H,3-9,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
HMDB09586	PE(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,43H,3-10,12,15,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,22-21-,27-25-/t43-/m1/s1
HMDB09587	PE(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,25,27,43H,3-10,12,14-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1
HMDB09584	PE(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,41H,3-10,12,15,19,22-23,26-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-,25-24-/t41-/m1/s1
HMDB09585	PE(22:4(7Z,10Z,13Z,16Z)/18:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,43H,3-10,12,14-16,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,27-25-/t43-/m1/s1
HMDB32276	2-Ethyl-3,(5 or 6)-dimethylpyrazine	CCC1=C(C)N=CC(C)=N1	InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
HMDB32277	(+/-)-3-(Ethylthio)butanol	CCSC(C)CCO	InChI=1S/C6H14OS/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3
HMDB32274	(+/-)-4-Ethyloctanal	CCCCC(CC)CCC=O	InChI=1S/C10H20O/c1-3-5-7-10(4-2)8-6-9-11/h9-10H,3-8H2,1-2H3
HMDB32275	Ethyl 3-octenoate	CCCCC=CCC(=O)OCC	InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h7-8H,3-6,9H2,1-2H3/b8-7+
HMDB32272	Ethyl 4-methylpentanoate	CCOC(=O)CCC(C)C	InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
HMDB32273	N-Ethyl trans-2-cis-6-nonadienamide	CCNC(=O)\C=C\CC\C=C/CC	InChI=1S/C11H19NO/c1-3-5-6-7-8-9-10-11(13)12-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,12,13)/b6-5-,10-9+
HMDB01359	Phytanoyl-CoA	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27-,28-,29+,30-,34-,35-,36?,40-/m1/s1
HMDB01358	Retinal	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
HMDB01356	2-Methyl-3-hydroxybutyryl-CoA	C[C@H](O)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,14-,15+,18+,19+,20?,24+/m0/s1
HMDB01355	Parathion	CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O	InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
HMDB01354	5,10-Methenyltetrahydrofolic acid	[H][C@@]12CN(C=[N+]1C1=C(NC2)NC(N)=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O	InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/t12-,13+/m1/s1
HMDB01353	2-Keto-3-deoxy-D-gluconic acid	OC[C@@H](O)[C@H](O)CC(=O)C(O)=O	InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1
HMDB01352	Hydroxypyruvic acid	OCC(=O)C(O)=O	InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
HMDB01351	Deoxyribose 1-phosphate	OC[C@H]1OC(C[C@@H]1O)OP(O)(O)=O	InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1
HMDB32279	2-Ethyl-1,3,3-trimethyl-2-norbornanol	CCC1(O)C(C)(C)C2CCC1(C)C2	InChI=1S/C12H22O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h9,13H,5-8H2,1-4H3
HMDB45241	TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,30-31,37,40,58H,4-15,17-18,21-22,24,26-27,29,32-36,38-39,41-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,40-37-
HMDB45240	TG(18:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,35,38,56H,4-15,17-18,20,22-23,26,28,31-34,36-37,39-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,38-35-
HMDB45243	TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,39,42,60H,4-15,17-18,20-24,27,30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,42-39-
HMDB45242	TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30-32,37,40,58H,4-15,17-18,20-24,27,29,33-36,38-39,41-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,40-37-
HMDB45245	TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33,35,41,44,62H,4-16,18-19,21-24,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b20-17-,28-25-,29-26-,35-33-,44-41-
HMDB45244	TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB45247	TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,31-32,34,38,41,59H,4-15,17-18,21-22,24,26-27,30,33,35-37,39-40,42-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,34-29-,41-38-
HMDB45246	TG(18:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,64H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-
HMDB45249	TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,31-32,38,41,59H,4-13,15,18,20-22,24,27,29-30,33-37,39-40,42-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,41-38-
HMDB45248	TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30-32,37-38,40-41,58H,4-15,18,21-24,27,29,33-36,39,42-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-
HMDB47115	TG(24:0/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,66H,4-16,18-19,21-25,27-28,30-65H2,1-3H3/b20-17-,29-26-
HMDB49341	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB07702	DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,47,50H,3-11,13,15-17,19,21-24,26,28-30,32,34-46H2,1-2H3/b14-12-,20-18-,27-25-,33-31-/t47-/m0/s1
HMDB47114	TG(24:0/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,47,50,64H,4-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,41-38-,50-47-
HMDB07703	DG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,47,50H,3-11,13,15-16,21-24,26,28-30,32,34-46H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-/t47-/m0/s1
HMDB47113	TG(24:0/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,64H,4-16,18-19,21-25,27-28,30-37,39-40,42-63H2,1-3H3/b20-17-,29-26-,41-38-
HMDB49343	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB12489	1,2,3,4-tetrahydroisoquinoline	C1CC2=C(CN1)C=CC=C2	InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
HMDB47112	TG(24:0/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,63H,4-14,16-17,19-23,25-26,28-62H2,1-3H3/b18-15-,27-24-
HMDB09630	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,32-35,45H,3-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1
HMDB09631	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,33,35,45H,3-5,7,9-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t45-/m1/s1
HMDB09632	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32-35,45H,3-5,7,9-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1
HMDB09633	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,35,37,47H,3-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,25-23-,31-29-,37-35-/t47-/m1/s1
HMDB09634	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,35,37,47H,3-10,12,14-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1
HMDB09635	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,35,37,47H,3-10,15-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1
HMDB09636	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35,37,47H,3-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1
HMDB09637	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,47H,3-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1
HMDB09638	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,35,37,47H,3-5,7,9-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1
HMDB09639	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,35-38,47H,3-5,7,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1
HMDB47110	TG(24:0/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h21,24,30,37,63H,4-20,22-23,25-29,31-36,38-62H2,1-3H3/b24-21-,37-30-
HMDB43379	TG(15:0/24:1(15Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,63H,4-24,29-62H2,1-3H3/b27-25-,28-26-
HMDB07707	DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,29,31,39,42H,3-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3/b13-11-,18-17-,21-20-,25-24-,31-29-/t39-/m0/s1
HMDB37983	Cyanidin 3-(6-caffeoylglucoside) 5-glucoside	OCC1OC(OC2=CC(O)=CC3=C2C=C(OC2OC(COC(=O)\C=C\C4=CC=C(O)C(O)=C4)C(O)C(O)C2O)C(=[O+]3)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)35(54-25)52-23-10-16(38)9-22-17(23)11-24(34(51-22)15-3-5-19(40)21(42)8-15)53-36-33(49)31(47)29(45)26(55-36)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1
HMDB37982	Hyacinthin	[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)OC([H])([H])C2([H])OC([H])(OC3=C([H])C4=C(O[H])C([H])=C(O[H])C([H])=C4[O+]=C3C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C([H])=C1[H]	InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1
HMDB37981	Cyanidin 3-(malonylsophoroside) 5-glucoside	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@H]2OC2=CC3=C(C=C(O)C=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C36H42O24/c37-8-19-24(45)27(48)30(51)34(57-19)55-17-5-12(39)4-16-13(17)6-18(32(54-16)11-1-2-14(40)15(41)3-11)56-36-33(60-35-31(52)28(49)25(46)20(9-38)58-35)29(50)26(47)21(59-36)10-53-23(44)7-22(42)43/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20-,21-,24-,25-,26-,27+,28+,29+,30-,31-,33-,34-,35+,36-/m1/s1
HMDB37980	Cyanidin 3-sambubioside 5-glucoside	[H]OC1=C([H])C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])=C2C([H])=C(OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])OC3([H])OC([H])([H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1
HMDB37987	Cyanidin 3-(6''-ferulylglucoside) 5-glucoside	COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)=CC=C1O	InChI=1S/C37H38O19/c1-50-24-8-15(2-5-20(24)41)3-7-28(43)51-14-27-30(45)32(47)34(49)37(56-27)54-25-12-18-22(52-35(25)16-4-6-19(40)21(42)9-16)10-17(39)11-23(18)53-36-33(48)31(46)29(44)26(13-38)55-36/h2-12,26-27,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43)/p+1
HMDB37986	Cyanidin 3,3'-diglucoside	OCC1OC(OC2=CC(=CC=C2O)C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1
HMDB37985	Cyananin	OC1(CC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C(=O)NC2=C(Cl)C=C(Cl)C=C12	InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22)
HMDB37984	Cyanidin 3-xyloside	[H]OC1=C([H])C2=C(C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]2)C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C(O[H])=C1[H]	InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17+,18-,20-/m1/s1
HMDB37989	Cyanidin 7-arabinoside	OC1COC(OC2=CC(O)=C3C=C(O)C(=[O+]C3=C2)C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C20H18O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-6,15,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1
HMDB37988	Cyanidin 3-(2G-glucosylrutinoside)	[H]OC1=C([H])C(O[H])=C2C([H])=C(OC3([H])OC([H])(C([H])([H])OC4([H])OC([H])(C([H])([H])[H])C([H])(O[H])C([H])(O[H])C4([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1
HMDB40545	4',7-Dihydroxyflavanone; (S)-form, 4'-Me ether, 7-O-a-L-rhamnopyranoside	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(C)C(O)C(O)C1O)C=C2	InChI=1S/C22H24O8/c1-11-19(24)20(25)21(26)22(28-11)29-14-7-8-15-16(23)10-17(30-18(15)9-14)12-3-5-13(27-2)6-4-12/h3-9,11,17,19-22,24-26H,10H2,1-2H3
HMDB40544	4',7-Dihydroxyflavanone; (S)-form, 7-O-[b-D-Apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	OCC1OC(OC2=CC3=C(C=C2)C(=O)CC(O3)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-5-6-15-16(30)8-17(37-18(15)7-14)12-1-3-13(29)4-2-12/h1-7,17,19-25,27-29,31-34H,8-11H2
HMDB45795	TG(20:0/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,32,34,37,43,46,58H,4-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b29-26-,32-27-,37-34-,46-43-
HMDB40546	Pyriminobac-methyl	CO\N=C(/C)C1=CC=CC(OC2=NC(OC)=CC(OC)=N2)=C1C(=O)OC	InChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3/b20-10+
HMDB40541	a-Rhamnoisorobin; 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-6-O-acetyl-b-D-galactopyranoside]	CC1OC(OC2C(O)C(O)C(COC(C)=O)OC2OC2=C(OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C35H42O20/c1-11-21(39)25(43)28(46)33(49-11)51-16-8-17(38)20-18(9-16)52-30(14-4-6-15(37)7-5-14)31(24(20)42)54-35-32(27(45)23(41)19(53-35)10-48-13(3)36)55-34-29(47)26(44)22(40)12(2)50-34/h4-9,11-12,19,21-23,25-29,32-35,37-41,43-47H,10H2,1-3H3
HMDB40540	3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;4)-a-L-rhamnopyranoside]	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C36H36O17/c1-15-32(52-36-30(46)28(44)26(42)23(51-36)14-48-24(41)11-4-16-2-7-18(37)8-3-16)29(45)31(47)35(49-15)53-34-27(43)25-21(40)12-20(39)13-22(25)50-33(34)17-5-9-19(38)10-6-17/h2-13,15,23,26,28-32,35-40,42,44-47H,14H2,1H3/b11-4+
HMDB40543	Kaempferol 7-galactoside 3-rutinoside	CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3
HMDB40542	Kaempferol 3-O-alpha-L-rhamnofuranoside	CC(O)C1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C21H20O10/c1-8(22)18-16(27)17(28)21(30-18)31-20-15(26)14-12(25)6-11(24)7-13(14)29-19(20)9-2-4-10(23)5-3-9/h2-8,16-18,21-25,27-28H,1H3
HMDB51842	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,40-41,43-44,50,53,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB51843	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,39,60H,4-7,10,13-16,19,22-24,30-33,35,37-38,40-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-
HMDB51840	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,40,43,64H,4-8,10-11,13-15,17,20,22-24,31-39,41-42,44-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB51841	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,40-41,43-44,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-
HMDB40549	xi-2,3-Octadiene-5,7-diyn-1-ol	OCC=C=CC#CC#C	InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,5,7,9H,8H2
HMDB07708	DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,29,31,39,42H,3-10,12,15,19,22-23,26-28,30,32-38H2,1-2H3/b13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t39-/m0/s1
HMDB45799	TG(20:0/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,40,43,49,52,64H,4-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b28-25-,30-27-,43-40-,52-49-
HMDB45798	TG(20:0/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,38,41,47,50,62H,4-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,30-27-,41-38-,50-47-
HMDB46266	TG(22:0/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h20,23,27,31,55H,4-19,21-22,24-26,28-30,32-54H2,1-3H3/b23-20-,31-27-
HMDB46267	TG(22:0/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,35,37,54H,4-16,18-19,21-24,26-29,31-34,36,38-53H2,1-3H3/b20-17-,30-25-,37-35-
HMDB46264	TG(22:0/14:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-
HMDB07709	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,31,33,41,44H,3-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3/b13-11-,19-17-,22-21-,27-25-,33-31-/t41-/m0/s1
HMDB43089	TG(15:0/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-
HMDB43088	TG(15:0/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB46260	TG(22:0/14:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB46261	TG(22:0/14:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h25,30,54H,4-24,26-29,31-53H2,1-3H3/b30-25-
HMDB43085	TG(15:0/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,53H,4-25,27-28,30-52H2,1-3H3/b29-26-
HMDB43084	TG(15:0/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB43087	TG(15:0/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,33,39,42,55H,4-24,26,28-30,32,34-38,40-41,43-54H2,1-3H3/b27-25-,33-31-,42-39-
HMDB43086	TG(15:0/20:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-
HMDB43081	TG(15:0/20:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB43080	TG(15:0/20:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB43083	TG(15:0/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB46269	TG(22:0/14:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,56H,4-16,18-19,21-24,26,28-31,33,35-55H2,1-3H3/b20-17-,27-25-,34-32-
HMDB47799	TG(14:1(9Z)/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,24,26,54H,4-14,16-17,19-23,25,27-53H2,1-3H3/b18-15-,26-24-
HMDB10418	TG(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-33-,44-41-/t54-/m1/s1
HMDB47795	TG(14:1(9Z)/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,50H,4-14,16-17,20-21,23-49H2,1-3H3/b18-15-,22-19-
HMDB47794	TG(14:1(9Z)/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,20,23,48H,4-14,16-17,19,21-22,24-47H2,1-3H3/b18-15-,23-20-
HMDB47797	TG(14:1(9Z)/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,52H,4-14,16-17,19-23,25,27-51H2,1-3H3/b18-15-,26-24-
HMDB10419	TG(16:1(9Z)/14:0/16:1(9Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h19-20,22-23,46H,4-18,21,24-45H2,1-3H3/b22-19-,23-20-
HMDB47791	TG(14:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,33,39,42,52H,4-6,8-9,11-14,17,20-23,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-31-,42-39-
HMDB47790	TG(14:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,33,52H,4-6,8-9,11-14,17,20-23,26,29-30,32,34-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-31-
HMDB47793	TG(14:1(9Z)/18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14-15,17-18,46H,4-13,16,19-45H2,1-3H3/b17-14-,18-15-
HMDB45705	TG(20:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-
HMDB35729	Dihydromyoporone	CC(C)CC(O)CC(C)CCC(=O)C1=COC=C1	InChI=1S/C15H24O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12,14,16H,4-5,8-9H2,1-3H3
HMDB35728	Ganoderol A	CC(CC\C=C(/C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C30H46O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25,31H,8,10,12-13,15-19H2,1-7H3/b20-9+
HMDB35721	(S)-Batatic acid	CC(CCC(=O)C1=COC=C1)C(O)=O	InChI=1S/C10H12O4/c1-7(10(12)13)2-3-9(11)8-4-5-14-6-8/h4-7H,2-3H2,1H3,(H,12,13)
HMDB35720	Isoacolamone	CC(C)C1CCC2(C)CCC=C(C)C2C1=O	InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h6,10,12-13H,5,7-9H2,1-4H3
HMDB35723	(1R,2S,3S,4R)-p-Menthane-2,3-diol	CC(C)C1CCC(C)C(O)C1O	InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3
HMDB35722	Tanacetol A	CC(=O)O\C1=C(C)\CCC(CC(=O)C(=C)CC1)C(C)(C)O	InChI=1S/C17H26O4/c1-11-7-9-16(21-13(3)18)12(2)6-8-14(10-15(11)19)17(4,5)20/h14,20H,1,6-10H2,2-5H3/b16-12+
HMDB35725	Ganoderic acid Mc	CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC(C)=O	InChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+
HMDB35724	15-Deacetylcalonectrin	CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)CCC21CO	InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3
HMDB35727	Hebevinoside II	CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(O)C(O)C1O	InChI=1S/C45H72O14/c1-22(2)12-11-13-23(3)33-29(57-41-38(53)36(51)34(49)31(58-41)20-54-24(4)46)19-45(10)39-28(48)18-27-26(43(39,8)16-17-44(33,45)9)14-15-32(42(27,6)7)59-40-37(52)35(50)30(21-55-40)56-25(5)47/h12,18,23,26,28-41,48-53H,11,13-17,19-21H2,1-10H3
HMDB35726	p-Menthan-4-ol	CC(C)C1(O)CCC(C)CC1	InChI=1S/C10H20O/c1-8(2)10(11)6-4-9(3)5-7-10/h8-9,11H,4-7H2,1-3H3
HMDB53709	TG(20:3n6/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43,46,60H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB51367	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,38-40,42-44,47,60H,4-6,8,11,13-15,17,20,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB44686	TG(18:0/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-
HMDB36063	3,22-Dihydroxycycloart-24-en-26-oic acid	CC(C(O)C\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H48O4/c1-18(25(33)34)7-8-21(31)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(32)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/b18-7-
HMDB44684	TG(18:0/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,36,39,52H,4-15,17-18,20-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b19-16-,26-24-,31-29-,39-36-
HMDB44685	TG(18:0/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-
HMDB44682	TG(18:0/14:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h13,16,22,24,51H,4-12,14-15,17-21,23,25-50H2,1-3H3/b16-13-,24-22-
HMDB44683	TG(18:0/14:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,52H,4-15,17-18,20-23,25,27-28,30,32-51H2,1-3H3/b19-16-,26-24-,31-29-
HMDB36062	Ubiquinone 6	COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O	InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+
HMDB36061	Safranal	CC1=C(C=O)C(C)(C)CC=C1	InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
HMDB44688	TG(18:0/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,50H,4-6,8-9,11-15,17-18,20-23,25,27-49H2,1-3H3/b10-7-,19-16-,26-24-
HMDB44689	TG(18:0/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,31,33,50H,4-6,8-9,11-15,17-18,20-23,25,27-30,32,34-49H2,1-3H3/b10-7-,19-16-,26-24-,33-31-
HMDB33600	Sagerinic acid	OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C1C(C(C1C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1)C(=O)OC(CC1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C36H32O16/c37-19-5-1-15(9-23(19)41)11-27(33(45)46)51-35(49)31-29(17-3-7-21(39)25(43)13-17)30(18-4-8-22(40)26(44)14-18)32(31)36(50)52-28(34(47)48)12-16-2-6-20(38)24(42)10-16/h1-10,13-14,27-32,37-44H,11-12H2,(H,45,46)(H,47,48)
HMDB33601	Dihydrojasmonic acid	CCCCCC1C(CC(O)=O)CCC1=O	InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)
HMDB33602	Brassica oleracea Alkaloid	OC(=O)C1CSC2=NC=C3C(=NC4=CC=CC=C34)N12	InChI=1S/C13H9N3O2S/c17-12(18)10-6-19-13-14-5-8-7-3-1-2-4-9(7)15-11(8)16(10)13/h1-5,10H,6H2,(H,17,18)
HMDB33603	Annoglaxin	CCCCCCCCCCC(O)CC(O)C1CCC(O1)C(O)CCC(=O)CCCC(O)CCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-12-17-30(38)25-32(40)34-23-22-33(43-34)31(39)21-20-29(37)19-14-18-28(36)16-13-10-11-15-27-24-26(2)42-35(27)41/h24,26,28,30-34,36,38-40H,3-23,25H2,1-2H3
HMDB33604	Artemoin A	CCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H66O4/c1-3-4-5-6-7-19-22-25-28-33(36)34(37)29-26-23-20-17-15-13-11-9-8-10-12-14-16-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3
HMDB33605	Artemoin B	CCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H66O4/c1-3-4-5-6-7-8-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-12-10-9-11-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3
HMDB33606	Artemoin C	CCCCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H66O4/c1-3-4-5-6-7-8-9-13-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-11-10-12-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3
HMDB33607	Artemoin D	CCCCCCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H66O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3
HMDB33608	2-Heptadecylfuran	CCCCCCCCCCCCCCCCCC1=CC=CO1	InChI=1S/C21H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3
HMDB33609	2-Pentadecylfuran	CCCCCCCCCCCCCCCC1=CC=CO1	InChI=1S/C19H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20-19/h15,17-18H,2-14,16H2,1H3
HMDB56557	CL(16:0/16:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25-26,28-30,32,71-73,78H,5-24,27,31,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,32-28-/t71?,72-,73-/m1/s1
HMDB29127	Valyl-Glycine	CC(C)C(NC(=O)CN)C(O)=O	InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)
HMDB39725	4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose	COC1C(O)C(O)C(OC(CO)C(O)C(O)C=O)OC1C(O)=O.COC1C(O)C(O)C(OC2COC(O)C(O)C2O)OC1C(O)=O	InChI=1S/2C12H20O11/c1-20-8-5(14)7(16)12(23-9(8)10(17)18)22-3-2-21-11(19)6(15)4(3)13;1-21-9-7(17)8(18)12(23-10(9)11(19)20)22-5(3-14)6(16)4(15)2-13/h3-9,11-16,19H,2H2,1H3,(H,17,18);2,4-10,12,14-18H,3H2,1H3,(H,19,20)
HMDB39724	4-O-alpha-D-Glucopyranuronosyl-D-galactose	OCC(O)C(OC1OC(C(O)C(O)C1O)C(O)=O)C(O)C(O)C=O.OCC1OC(O)C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O	InChI=1S/2C12H20O12/c13-1-2-8(5(16)6(17)11(21)22-2)23-12-7(18)3(14)4(15)9(24-12)10(19)20;13-1-3(15)5(17)9(4(16)2-14)23-12-8(20)6(18)7(19)10(24-12)11(21)22/h2-9,11-18,21H,1H2,(H,19,20);1,3-10,12,14-20H,2H2,(H,21,22)
HMDB39727	Trehalulose	OCC(O)C(O)C(O)C(=O)COC1OC(CO)C(O)C(O)C1O.OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2(O)OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/3C12H22O11/c13-1-5-7(16)8(17)9(18)11(23-5)21-3-12(20)10(19)6(15)4(14)2-22-12;13-1-4-6(15)8(17)9(18)11(22-4)21-3-12(20)10(19)7(16)5(2-14)23-12;13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h2*4-11,13-20H,1-3H2;4,6-15,17-21H,1-3H2
HMDB39726	3-O-beta-D-Galactopyranuronosyl-D-galactose	OCC(O)C(O)C(OC1OC(C(O)C(O)C1O)C(O)=O)C(O)C=O.OCC(O)C1OC(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O.OCC1OC(O)C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O	InChI=1S/3C12H20O12/c13-1-2(14)7-8(6(18)11(21)22-7)23-12-5(17)3(15)4(16)9(24-12)10(19)20;13-1-2-3(14)8(7(18)11(21)22-2)23-12-6(17)4(15)5(16)9(24-12)10(19)20;13-1-3(15)5(17)9(4(16)2-14)23-12-8(20)6(18)7(19)10(24-12)11(21)22/h2*2-9,11-18,21H,1H2,(H,19,20);2-10,12-13,15-20H,1H2,(H,21,22)
HMDB39721	4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid	OC(C=O)C(O)C(OC1OC(C(O)C(O)C1O)C(O)=O)C(O)C(O)=O.OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O	InChI=1S/2C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21;13-1-2(14)3(15)8(7(19)10(20)21)24-12-6(18)4(16)5(17)9(25-12)11(22)23/h1-8,11-17,22H,(H,18,19)(H,20,21);1-9,12,14-19H,(H,20,21)(H,22,23)
HMDB13428	PC(o-18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,43H,6-16,18,21,23-42H2,1-5H3/b19-17-,22-20-/t43-/m1/s1
HMDB39723	3-O-alpha-D-Glucopyranuronosyl-D-xylose	OCC(O)C(OC1OC(C(O)C(O)C1O)C(O)=O)C(O)C=O.OCC1OC(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O.OC1COC(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O	InChI=1S/3C11H18O11/c12-2-1-20-10(19)6(16)7(2)21-11-5(15)3(13)4(14)8(22-11)9(17)18;12-1-2-7(6(16)10(19)20-2)21-11-5(15)3(13)4(14)8(22-11)9(17)18;12-1-3(14)8(4(15)2-13)21-11-7(18)5(16)6(17)9(22-11)10(19)20/h2*2-8,10-16,19H,1H2,(H,17,18);1,3-9,11,13-18H,2H2,(H,19,20)
HMDB39722	2-O-beta-D-Glucopyranuronosyl-D-mannose	OCC(O)C(O)C(O)C(OC1OC(C(O)C(O)C1O)C(O)=O)C=O.OCC(O)C1OC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O.OCC1OC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O	InChI=1S/3C12H20O12/c13-1-2(14)7-6(18)9(11(21)22-7)24-12-5(17)3(15)4(16)8(23-12)10(19)20;13-1-2-3(14)5(16)9(11(21)22-2)24-12-7(18)4(15)6(17)8(23-12)10(19)20;13-1-3(15)5(16)6(17)4(2-14)23-12-9(20)7(18)8(19)10(24-12)11(21)22/h2*2-9,11-18,21H,1H2,(H,19,20);2-10,12-13,15-20H,1H2,(H,21,22)
HMDB47131	TG(24:0/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,40,43,49,52,66H,4-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b30-27-,43-40-,52-49-
HMDB47130	TG(24:0/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,66H,4-26,28-29,31-65H2,1-3H3/b30-27-
HMDB47133	TG(24:0/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,70H,4-24,26-27,29-69H2,1-3H3/b28-25-
HMDB13429	PC(o-18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,43H,6-14,16,18-19,24-42H2,1-5H3/b17-15-,22-20-,23-21-/t43-/m1/s1
HMDB39729	b-D-Glucopyranuronosyl-(1-&gt;3)-a-D-galactopyranuronosyl-(1-&gt;2)-a-L-rhamnopyranosyl-(1-&gt;4)-[b-D-glucopyranuronosyl-(1-&gt;3)]-a-D-galactopyranuronosyl-(1-&gt;2)-L-rhamnopyranose	CC1OC(O)C(OC2OC(C(OC3OC(C)C(O)C(O)C3OC3OC(C(O)C(OC4OC(C(O)C(O)C4O)C(O)=O)C3O)C(O)=O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)C(O)C1O	InChI=1S/C36H54O33/c1-3-5(37)9(41)23(31(58)59-3)66-35-17(49)19(62-33-14(46)8(40)12(44)21(64-33)28(52)53)25(26(69-35)30(56)57)68-36-24(10(42)6(38)4(2)60-36)67-34-16(48)18(15(47)22(65-34)29(54)55)61-32-13(45)7(39)11(43)20(63-32)27(50)51/h3-26,31-49,58H,1-2H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)
HMDB39728	b-D-Glucuronopyranosyl-(1-&gt;3)-a-D-galacturonopyranosyl-(1-&gt;2)-L-rhamnose	CC1OC(O)C(OC2OC(C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)C(O)C1O	InChI=1S/C18H28O17/c1-2-3(19)5(21)13(16(30)31-2)35-18-9(25)10(8(24)12(34-18)15(28)29)32-17-7(23)4(20)6(22)11(33-17)14(26)27/h2-13,16-25,30H,1H3,(H,26,27)(H,28,29)
HMDB47137	TG(24:0/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,66H,4-17,19-20,22-26,28-29,31-39,41-42,44-65H2,1-3H3/b21-18-,30-27-,43-40-
HMDB47136	TG(24:0/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C68H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,65H,4-14,16-17,19-23,25-26,28-64H2,1-3H3/b18-15-,27-24-
HMDB31116	Glycerol 2,3-di-(9Z-octadecenoate) 1-hexadecanoate	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25+,28-26+
HMDB31117	Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-hexadecanoate	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16+,20-17+,27-25+,28-26+
HMDB31114	Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-octadecanoate	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,54H,4-15,18,21-24,27,30-53H2,1-3H3/b19-16+,20-17+,28-25+,29-26+
HMDB31115	Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-(9Z-octadecenoate)	CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,54H,4-15,17,20,22-24,31-53H2,1-3H3/b19-16+,21-18+,28-25+,29-26+,30-27+
HMDB31112	Neoacrimarine F	COC1=CC2=C(C(O)=C1)C(=O)C1=CC=C(O)C(OC3C(O)C(C)(C)OC4=C3C3=C(C=CC(=O)O3)C=C4)=C1N2C	InChI=1S/C29H25NO9/c1-29(2)28(35)27(22-19(39-29)9-5-13-6-10-20(33)37-25(13)22)38-26-17(31)8-7-15-23(26)30(3)16-11-14(36-4)12-18(32)21(16)24(15)34/h5-12,27-28,31-32,35H,1-4H3
HMDB31113	Glycerol 1,3-di-(9Z-octadecenoate) 2-(9Z,12Z-octadecadienoate)	CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,54H,4-17,19-20,22-24,31-53H2,1-3H3/b21-18+,28-25+,29-26+,30-27+
HMDB31110	Glycerol tritridecanoate	CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC	InChI=1S/C42H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-40(43)46-37-39(48-42(45)36-33-30-27-24-21-18-15-12-9-6-3)38-47-41(44)35-32-29-26-23-20-17-14-11-8-5-2/h39H,4-38H2,1-3H3
HMDB31111	5,10-Pentadecadien-1-ol	CCCC\C=C\CCC\C=C\CCCCO	InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3/b6-5+,11-10+
HMDB44534	TG(16:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,50H,4-6,8-9,11-14,17,20-23,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-
HMDB44535	TG(16:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,28,31,52H,4-6,8-9,11-15,17-18,21-22,24,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,31-28-
HMDB44536	TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,33,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,33-30-
HMDB44537	TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-
HMDB44530	TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,27-25-,33-30-
HMDB13424	PC(o-18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,41H,6-15,17,19-40H2,1-5H3/b18-16-/t41-/m1/s1
HMDB31118	Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-hexadecanoate	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16+,20-17+,27-25+,28-26+
HMDB31119	Glycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,50H,4-24,27-49H2,1-3H3/b26-25+
HMDB42561	TG(14:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,36,39,54H,4-15,18,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-,39-36-
HMDB42560	TG(14:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,34,36-37,39,52H,4-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB42563	TG(14:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,32,35-36,39,41,44,54H,4-15,18,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-
HMDB36068	Campholenic alcohol	CC1=CCC(CCO)C1(C)C	InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3
HMDB42565	TG(14:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,31-32,34-35,50H,4-6,8-9,11-15,18,21-23,28-30,33,36-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-
HMDB42564	TG(14:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,32,35,50H,4-6,8-9,11-15,18,21-23,28-31,33-34,36-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,35-32-
HMDB42567	TG(14:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,34,36-37,39,52H,4-6,8-9,11-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB42566	TG(14:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,34,37,52H,4-6,8-9,11-15,18,21-23,27,31-33,35-36,38-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-
HMDB42569	TG(14:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,32,35-36,39,41,44,54H,4-6,8-9,11-15,18,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-
HMDB42568	TG(14:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,32,35-36,39,54H,4-6,8-9,11-15,18,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-
HMDB56876	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,42-47,52-54,56-58,66,70,85-87,92H,5-8,11-12,15-20,24,28-32,39-41,48-51,55,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB51364	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,64H,4-7,9-10,12-15,18,21-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB56877	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-54,56-58,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,55,59-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-/t85?,86-,87-/m1/s1
HMDB56874	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-/t82?,83-,84-/m1/s1
HMDB56875	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,63,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-62,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-/t83?,84-,85-/m1/s1
HMDB15099	Apraclonidine	NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1	InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
HMDB15098	Bromfenac	NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1	InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)
HMDB15095	Pindolol	CC(C)NCC(O)COC1=CC=CC2=C1C=CN2	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
HMDB15094	Methylprednisolone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C	InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
HMDB15097	Zaleplon	CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N	InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3
HMDB15096	Mepivacaine	CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C	InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)
HMDB15091	Hydrocodone	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O	InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
HMDB15090	Netilmicin	CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O	InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)15(28)17(13)33-20-21(2,29)18(25-3)14(27)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20-,21-/m1/s1
HMDB15093	Carboplatin	N.N.O=C1O[Pt]OC(=O)C11CCC1	InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2
HMDB15092	Norgestimate	[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O	InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1
HMDB51363	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-15,18,21-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB56870	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB56871	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,27,29-31,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1
HMDB15213	Diphenoxylate	CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1	InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
HMDB15212	Vigabatrin	NC(CCC(O)=O)C=C	InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
HMDB15211	Deslanoside	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1	InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
HMDB51362	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-37,39-41,44-46,48-49,62H,4-6,8-9,11-15,18,21-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB15210	Etidronic acid	CC(O)(P(O)(O)=O)P(O)(O)=O	InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
HMDB46860	TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,33,40,43,58H,4-8,10-11,13-17,19,22,24-26,28-32,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,23-20-,33-27-,43-40-
HMDB15217	Pilocarpine	CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O	InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
HMDB15216	Emedastine	CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1	InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3
HMDB15215	Orlistat	CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O	InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
HMDB15214	Streptomycin	CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O	InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
HMDB51361	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-37,39-41,44,46,49,62H,4-6,8-9,11-15,18,21-24,31,33-34,38,42-43,45,47-48,50-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-
HMDB30649	Mammea B/BC cyclo E	CCCC(=O)C1=C2OC(C)(C)C(O)CC2=C(O)C2=C1OC(=O)C=C2CCC	InChI=1S/C21H26O6/c1-5-7-11-9-15(24)26-20-16(11)18(25)12-10-14(23)21(3,4)27-19(12)17(20)13(22)8-6-2/h9,14,23,25H,5-8,10H2,1-4H3
HMDB29989	Dulciol B	CC(C)=CCC1=C(O)C(O)=C(CC=C(C)C)C2=C1OC1=C(C(O)=C(C=C1O)C(C)(C)C=C)C2=O	InChI=1S/C28H32O6/c1-8-28(6,7)18-13-19(29)27-21(24(18)32)25(33)20-16(11-9-14(2)3)22(30)23(31)17(26(20)34-27)12-10-15(4)5/h8-10,13,29-32H,1,11-12H2,2-7H3
HMDB37619	Methyl 4-(methylthio)butyrate	COC(=O)CCCSC	InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
HMDB37618	3-Hepten-1-ol, 9CI; (E)-form, Ac	CCC\C=C\CCOC(C)=O	InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+
HMDB29980	Hexyl acetate	CCCCCCOC(C)=O	InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
HMDB29981	1-Isomangostin	COC1=C(CC=C(C)C)C2=C(OC3=C(C2=O)C2=C(CCC(C)(C)O2)C(O)=C3)C=C1O	InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3
HMDB29982	Epomusenin A	CCCCCCCCCCCC\C=C/CCC1OC1CCCCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O3/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35-36(40-35)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)39-37(34)38/h21,24,32-33,35-36H,3-20,22-23,25-31H2,1-2H3/b24-21-
HMDB29983	Epomusenin B	CCCCCCCCCCCCCC\C=C/CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-35-36(40-35)31-28-25-22-19-16-15-17-20-23-26-29-34-32-33(2)39-37(34)38/h21,24,32-33,35-36H,3-20,22-23,25-31H2,1-2H3/b24-21-
HMDB29984	1-Isomangostin hydrate	COC1=C(CCC(C)(C)O)C2=C(OC3=C(C2=O)C2=C(CCC(C)(C)O2)C(O)=C3)C=C1O	InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(11-15(26)21(13)29-5)30-17-10-14(25)12-7-9-24(3,4)31-22(12)19(17)20(18)27/h10-11,25-26,28H,6-9H2,1-5H3
HMDB30644	delta-Amorphene	CC(C)C1CCC(C)=C2CCC(C)=CC12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3
HMDB37615	Quinoline yellow	OS(=O)=O.O=C1C(C(=O)C2=CC=CC=C12)C1=NC2=C(C=CC=C2)C=C1	InChI=1S/C18H11NO2.H2O3S/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15;1-4(2)3/h1-10,16H;4H,(H,1,2,3)
HMDB29987	(+)-11-Hydroxy-9-triacontanone	CCCCCCCCCCCCCCCCCCCC(O)CC(=O)CCCCCCCC	InChI=1S/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-30(32)28-29(31)26-24-22-10-8-6-4-2/h30,32H,3-28H2,1-2H3
HMDB51360	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,36,39-40,43,45,48,61H,4-6,8-9,11-14,17,20-23,30-31,33,35,37-38,41-42,44,46-47,49-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-
HMDB14328	Amphetamine	CC(N)CC1=CC=CC=C1	InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
HMDB14329	Pentagastrin	CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t27-,28-,29-,30-/m0/s1
HMDB14324	Ramipril	[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC	InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
HMDB14325	Masoprocol	C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1	InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
HMDB14326	Flunisolide	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO	InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
HMDB14327	Baclofen	NCC(CC(O)=O)C1=CC=C(Cl)C=C1	InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
HMDB59510	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66,69-70,73,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-53,56,60,62-65,67-68,71-72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,73-69-/t88?,89-,90-/m1/s1
HMDB14321	Pravastatin	[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC	InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
HMDB14322	Fluvoxamine	COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F	InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
HMDB14323	Valsartan	CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O	InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
HMDB54951	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,40,42-43,45,49,52,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB08516	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-8,10,12-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
HMDB08517	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33-34,36,48H,6-7,12-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1
HMDB08514	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,28,30,34,36,48H,6-8,10,12-13,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08515	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27-28,30-31,33-34,36,48H,6-8,10,12-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1
HMDB08512	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,30,34,36,48H,6-8,10,12-14,16,18-20,22,24-27,29,31-33,35,37-47H2,1-5H3/b11-9-,17-15-,23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08513	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,30,34,36,48H,6-8,10,12-14,16,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08510	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32,34,46H,6-7,12-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1
HMDB08511	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,46H,6-7,12-13,18-19,24-25,30-31,36-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08518	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,12-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
HMDB08519	PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,30,32,36,38,50H,6-8,10,12-14,16,18-20,22,24-29,31,33-35,37,39-49H2,1-5H3/b11-9-,17-15-,23-21-,32-30-,38-36-/t50-/m1/s1
HMDB36568	Persenone A	CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)CC(O)COC(C)=O	InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,17-18,23,26H,3-6,9,12-16,19-20H2,1-2H3/b8-7-,11-10-,18-17+
HMDB36569	Pallidol; 3-O-b-D-Glucopyranoside	OCC1OC(OC2=CC3=C(C(C4C3C(C3=C(O)C=C(O)C=C43)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2
HMDB36562	Aucubin	OCC1OC(OC2OC=CC3C(O)C=C(CO)C23)C(O)C(O)C1O	InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2
HMDB36563	Valerenolic acid	CC1CCC(\C=C(/C)C(O)=O)C2=C(C)CC(O)C12	InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+
HMDB36560	beta-Pinene	CC1(C)C2CC1C(=C)CC2	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
HMDB36561	Agnuside	OCC1OC(OC2OC=CC3C(O)C=C(COC(=O)C4=CC=C(O)C=C4)C23)C(O)C(O)C1O	InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2
HMDB36566	Xantofyl palmitate	CCCCCCCCCCCCCCCC(=O)OC1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2C(C)=CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1	InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-55,65-67H,13-38,49-50,56-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+
HMDB36567	3,6-Dihydroxyspirostane-2,12-dione; (3b,5a,6b,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucopyranosyl-(1-&gt;4)-b-D-galactopyranoside]	CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(=O)CC5(C)C4CC(=O)C23C)OC11CCC(C)CO1	InChI=1S/C50H78O25/c1-17-5-6-50(67-15-17)18(2)32-27(75-50)8-21-19-7-23(54)22-9-26(24(55)11-48(22,3)20(19)10-31(57)49(21,32)4)68-45-40(65)37(62)41(30(14-53)71-45)72-47-43(74-46-39(64)36(61)34(59)28(12-51)69-46)42(35(60)29(13-52)70-47)73-44-38(63)33(58)25(56)16-66-44/h17-23,25-30,32-47,51-54,56,58-65H,5-16H2,1-4H3
HMDB36564	Sugiol	CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1CC2=O	InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3
HMDB36565	beta-Ionone	CC(=O)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
HMDB50591	TG(20:1(11Z)/18:2(9Z,12Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,30,33,58H,4-13,15-16,18-20,22,27,29,31-32,34-57H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,33-30-
HMDB13679	Bergaptol	OC1=C2C=CC(=O)OC2=CC2=C1C=CO2	InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
HMDB13678	4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
HMDB13677	3,5-dihydroxybenzoic acid	OC(=O)C1=CC(O)=CC(O)=C1	InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
HMDB13676	2,6-dihydroxybenzoic acid	OC(=O)C1=C(O)C=CC=C1O	InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)
HMDB13675	1,3,5-trihydroxybenzene	OC1=CC(O)=CC(O)=C1	InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
HMDB13674	1,2,3-trihydroxybenzene	OC1=CC=CC(O)=C1O	InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
HMDB58643	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB13672	Cerium	[Ce]	InChI=1S/Ce
HMDB13671	Platinum	[Pt]	InChI=1S/Pt
HMDB13670	Palladium	[Pd]	InChI=1S/Pd
HMDB51406	TG(20:3(5Z,8Z,11Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB51407	TG(20:3(5Z,8Z,11Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB15536	Imipenem	[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O	InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1
HMDB15537	Probucol	CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C	InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
HMDB15534	Nitrazepam	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1	InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
HMDB15535	Cilastatin	N[C@@H](CSCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)O	InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
HMDB15532	Zinc	[Zn]	InChI=1S/Zn
HMDB15533	Cinolazepam	OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O	InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2
HMDB15530	Solifenacin	OC(=O)CCC(O)=O.O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1	InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1
HMDB15531	Iron	[Fe]	InChI=1S/Fe
HMDB58599	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,40,42-45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,27-32,39,41,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB15538	Tiaprofenic acid	CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1	InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
HMDB15539	Lopinavir	CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1	InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
HMDB12078	Ganglioside GT3 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H152N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h20-21,38,40,54-63,65-81,92-96,100-104,106-112H,6-19,22-37,39,41-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/b21-20-,40-38+/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76?,77?,78?,79-,80+,81-,85+,86+,87-/m0/s1
HMDB12079	Ganglioside GT3 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C88H156N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-65(106)92-55(56(101)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)51-120-81-74(112)73(111)76(64(50-97)122-81)123-82-75(113)80(70(108)61(47-94)121-82)129-88(85(118)119)45-59(104)68(91-54(5)100)79(128-88)72(110)63(49-96)125-87(84(116)117)44-58(103)67(90-53(4)99)78(127-87)71(109)62(48-95)124-86(83(114)115)43-57(102)66(89-52(3)98)77(126-86)69(107)60(105)46-93/h39,41,55-64,66-82,93-97,101-105,107-113H,6-38,40,42-51H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,106)(H,114,115)(H,116,117)(H,118,119)/b41-39+/t55-,56+,57-,58-,59-,60+,61+,62+,63+,64+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+,76+,77?,78?,79?,80-,81+,82-,86+,87+,88-/m0/s1
HMDB12076	Ganglioside GT3 (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C86H152N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(104)90-53(54(99)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-118-79-72(110)71(109)74(62(48-95)120-79)121-80-73(111)78(68(106)59(45-92)119-80)127-86(83(116)117)43-57(102)66(89-52(5)98)77(126-86)70(108)61(47-94)123-85(82(114)115)42-56(101)65(88-51(4)97)76(125-85)69(107)60(46-93)122-84(81(112)113)41-55(100)64(87-50(3)96)75(124-84)67(105)58(103)44-91/h37,39,53-62,64-80,91-95,99-103,105-111H,6-36,38,40-49H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,112,113)(H,114,115)(H,116,117)/b39-37+/t53-,54+,55-,56-,57-,58+,59+,60+,61+,62+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75?,76?,77?,78-,79+,80-,84+,85+,86-/m0/s1
HMDB12077	Ganglioside GT3 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C87H154N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h38,40,54-63,65-81,92-96,100-104,106-112H,6-37,39,41-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/b40-38+/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76?,77?,78?,79-,80+,81-,85+,86+,87-/m0/s1
HMDB12074	Ganglioside GT3 (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C85H150N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(103)89-52(53(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-117-78-71(109)70(108)73(61(47-94)119-78)120-79-72(110)77(67(105)58(44-91)118-79)126-85(82(115)116)42-56(101)65(88-51(5)97)76(125-85)69(107)60(46-93)122-84(81(113)114)41-55(100)64(87-50(4)96)75(124-84)68(106)59(45-92)121-83(80(111)112)40-54(99)63(86-49(3)95)74(123-83)66(104)57(102)43-90/h36,38,52-61,63-79,90-94,98-102,104-110H,6-35,37,39-48H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/b38-36+/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74?,75?,76?,77-,78+,79-,83+,84+,85-/m0/s1
HMDB12075	Ganglioside GT3 (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(103)89-52(53(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-117-78-71(109)70(108)73(61(47-94)119-78)120-79-72(110)77(67(105)58(44-91)118-79)126-85(82(115)116)42-56(101)65(88-51(5)97)76(125-85)69(107)60(46-93)122-84(81(113)114)41-55(100)64(87-50(4)96)75(124-84)68(106)59(45-92)121-83(80(111)112)40-54(99)63(86-49(3)95)74(123-83)66(104)57(102)43-90/h20-21,36,38,52-61,63-79,90-94,98-102,104-110H,6-19,22-35,37,39-48H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/b21-20-,38-36+/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74?,75?,76?,77-,78+,79-,83+,84+,85-/m0/s1
HMDB12072	Ganglioside GT3 (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H140N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h20-21,32,34,48-57,59-75,86-90,94-98,100-106H,6-19,22-31,33,35-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b21-20-,34-32+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1
HMDB12073	Ganglioside GT3 (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C83H146N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(101)87-50(51(96)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-115-76-69(107)68(106)71(59(45-92)117-76)118-77-70(108)75(65(103)56(42-89)116-77)124-83(80(113)114)40-54(99)63(86-49(5)95)74(123-83)67(105)58(44-91)120-82(79(111)112)39-53(98)62(85-48(4)94)73(122-82)66(104)57(43-90)119-81(78(109)110)38-52(97)61(84-47(3)93)72(121-81)64(102)55(100)41-88/h34,36,50-59,61-77,88-92,96-100,102-108H,6-33,35,37-46H2,1-5H3,(H,84,93)(H,85,94)(H,86,95)(H,87,101)(H,109,110)(H,111,112)(H,113,114)/b36-34+/t50-,51+,52-,53-,54-,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72?,73?,74?,75-,76+,77-,81+,82+,83-/m0/s1
HMDB12070	Ganglioside GT3 (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C81H142N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h32,34,48-57,59-75,86-90,94-98,100-106H,6-31,33,35-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b34-32+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1
HMDB12071	Ganglioside GT3 (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H140N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h16,18,32,34,48-57,59-75,86-90,94-98,100-106H,6-15,17,19-31,33,35-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b18-16-,34-32+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1
HMDB29470	Isodillapiole	COC1=C(OC)C(\C=C\C)=CC2=C1OCO2	InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4-6H,7H2,1-3H3/b5-4+
HMDB29471	Isocycloheterophyllin	CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC3=C(CC(OC4=C3C=C(O)C(O)=C4)=C(C)C)C(=O)C2=C1O	InChI=1S/C30H30O7/c1-14(2)7-8-16-25(33)24-26(34)19-12-22(15(3)4)35-23-13-21(32)20(31)11-18(23)27(19)36-29(24)17-9-10-30(5,6)37-28(16)17/h7,9-11,13,31-33H,8,12H2,1-6H3
HMDB29472	Isoeugenitol	CC1=CC(=O)C2=C(O1)C(C)=C(O)C=C2O	InChI=1S/C11H10O4/c1-5-3-8(13)10-9(14)4-7(12)6(2)11(10)15-5/h3-4,12,14H,1-2H3
HMDB29473	Isoeugenitin	COC1=C(C)C2=C(C(O)=C1)C(=O)C=C(C)O2	InChI=1S/C12H12O4/c1-6-4-8(13)11-9(14)5-10(15-3)7(2)12(11)16-6/h4-5,14H,1-3H3
HMDB29474	[6]-Dehydrogingerdione	CCCCCC(=O)CC(=O)\C=C/C1=CC(OC)=C(O)C=C1	InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-11,20H,3-6,12H2,1-2H3/b9-7-
HMDB29475	[10]-Gingerdione	CCCCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,24H,3-11,13,16H2,1-2H3
HMDB29476	[10]-Dehydrogingerdione	CCCCCCCCCC(=O)CC(=O)\C=C/C1=CC(OC)=C(O)C=C1	InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3/b13-11-
HMDB29477	Isomangiferin	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O	InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2
HMDB29478	Meloside L	OCC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C3=C(OC(=CC3=O)C3=CC=C(O)C(O)=C3)C=C2O)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-6-15-20(35)23(38)26(43-27-24(39)22(37)19(34)16(7-29)42-27)25(41-15)18-12(33)5-14-17(21(18)36)11(32)4-13(40-14)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2
HMDB29479	Isorhamnetin 7-glucoside	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3
HMDB53114	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-34,36-38,41-43,45-46,58H,4-15,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB53115	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34,36,39-40,43,45,48,60H,4-15,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB53112	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31,33,36-37,40,42,45,57H,4-13,15,20,22,24,29-30,32,34-35,38-39,41,43-44,46-56H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-,45-42-
HMDB32533	trans-3-Hexenyl acetate	CC\C=C\CCOC(C)=O	InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+
HMDB53110	TG(18:3(6Z,9Z,12Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,37,40,57H,4-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-,40-37-
HMDB53111	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-32,35-37,39-41,44,56H,4-15,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB39700	(5alpha,14alpha)-14-Methylcholestan-3-one	CC(C)CCCC(C)C1CCC2(C)C3CCC4CC(=O)CCC4(C)C3CCC12C	InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-21,23-25H,7-18H2,1-6H3
HMDB39707	alpha-D-Glucopyranosyl-(1-&gt;4)-alpha-D-glucopyranosyl-(1-&gt;6)-D-glucose	OCC1OC(OC2C(O)C(O)C(OCC3OC(O)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)18(32-4)34-15-5(2-20)33-17(14(28)11(15)25)30-3-6-8(22)9(23)12(26)16(29)31-6/h4-29H,1-3H2
HMDB39706	4-beta-Laminaribiosylglucose	OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(O)OC3CO)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(22)9(24)12(27)17(31-4)34-15-8(23)5(2-20)32-18(13(15)28)33-14-6(3-21)30-16(29)11(26)10(14)25/h4-29H,1-3H2
HMDB39705	alpha-D-Xylopyranosyl-(1-&gt;6)-beta-D-glucopyranosyl-(1-&gt;4)-D-glucose	OCC1OC(O)C(O)C(O)C1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C17H30O15/c18-1-5-14(10(23)11(24)15(27)30-5)32-17-13(26)9(22)8(21)6(31-17)3-29-16-12(25)7(20)4(19)2-28-16/h4-27H,1-3H2
HMDB39704	alpha-D-Glucopyranosyl-(1-&gt;6)-alpha-D-glucopyranosyl-(1-&gt;2)-D-glucose	OCC1OC(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-8(22)12(26)15(16(29)31-4)34-18-14(28)11(25)9(23)6(33-18)3-30-17-13(27)10(24)7(21)5(2-20)32-17/h4-29H,1-3H2
HMDB32852	2-(Ethylamino)-4,5-dihydroxybenzamide	CCNC1=CC(O)=C(O)C=C1C(N)=O	InChI=1S/C9H12N2O3/c1-2-11-6-4-8(13)7(12)3-5(6)9(10)14/h3-4,11-13H,2H2,1H3,(H2,10,14)
HMDB32853	3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 6-Me ether, 7-O-b-D-glucopyranoside	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(=O)C(=CC2=C1)C(C)(C)C=C	InChI=1S/C21H26O9/c1-5-21(2,3)11-6-10-7-13(27-4)14(8-12(10)28-19(11)26)29-20-18(25)17(24)16(23)15(9-22)30-20/h5-8,15-18,20,22-25H,1,9H2,2-4H3
HMDB32850	Muricadienin	CCCCCCCCCCCC\C=C/CC\C=C/CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h14-15,18-19,32-33H,3-13,16-17,20-31H2,1-2H3/b15-14-,19-18-
HMDB32851	Isohelianol	CC(CCC=C(C)C)C1CCC2(C)C3CCC(C(CCCO)C3(C)CCC12C)=C(C)C	InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3
HMDB32856	3,3',4,4'-Tetrachloroazobenzene	ClC1=CC=C(C=C1Cl)\N=N\C1=CC(Cl)=C(Cl)C=C1	InChI=1S/C12H6Cl4N2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H/b18-17+
HMDB32857	Glycerol tripropanoate	CCC(=O)OCC(COC(=O)CC)OC(=O)CC	InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3
HMDB14669	Lercanidipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3
HMDB14668	Dibucaine	CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC	InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
HMDB53826	TG(20:3n6/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,40,62H,4-8,10-11,13-16,19,22-24,30-35,38-39,41-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-
HMDB32854	N-Acetyl-2,6-diethylaniline	CCC1=CC=CC(CC)=C1NC(C)=O	InChI=1S/C12H17NO/c1-4-10-7-6-8-11(5-2)12(10)13-9(3)14/h6-8H,4-5H2,1-3H3,(H,13,14)
HMDB14661	Caspofungin	CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN	InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1
HMDB14660	Trandolapril	[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O	InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1
HMDB14663	Bentiromide	OC(=O)C1=CC=C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C2=CC=CC=C2)C=C1	InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1
HMDB14662	Carteolol	CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2	InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
HMDB14665	Metolazone	CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O	InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)
HMDB14667	Oxaliplatin	O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O	InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2/t5-,6-;;/m1../s1
HMDB44869	TG(18:0/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,26,28,51H,4-14,16-17,20-21,23-25,27,29-50H2,1-3H3/b18-15-,22-19-,28-26-
HMDB11521	LysoPE(22:1(13Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C27H54NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h9-10,26,29H,2-8,11-25,28H2,1H3,(H,31,32)/b10-9-/t26-/m1/s1
HMDB11520	LysoPE(22:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C27H56NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h26,29H,2-25,28H2,1H3,(H,31,32)/t26-/m1/s1
HMDB11523	LysoPE(22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN	InChI=1S/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-/t26-/m1/s1
HMDB11522	LysoPE(22:2(13Z,16Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN	InChI=1S/C27H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,26,29H,2-5,8,11-25,28H2,1H3,(H,31,32)/b7-6-,10-9-/t26-/m1/s1
HMDB11525	LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN	InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h3-4,6-7,9-10,12-13,15-16,26,29H,2,5,8,11,14,17-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-/t26-/m1/s1
HMDB11524	LysoPE(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@@](O)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN	InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,12-13,15-16,18-19,26,29H,2-5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1
HMDB11527	LysoPE(24:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C29H60NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30/h28,31H,2-27,30H2,1H3,(H,33,34)/t28-/m1/s1
HMDB11526	LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@@](O)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN	InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,29H,2,5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1
HMDB11529	LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN	InChI=1S/C29H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30/h3-4,6-7,9-10,12-13,15-16,18-19,28,31H,2,5,8,11,14,17,20-27,30H2,1H3,(H,33,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t28-/m1/s1
HMDB11528	LysoPE(24:1(15Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C29H58NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30/h9-10,28,31H,2-8,11-27,30H2,1H3,(H,33,34)/b10-9-/t28-/m1/s1
HMDB06236	Phenylacetaldehyde	O=CCC1=CC=CC=C1	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
HMDB06230	Bisdiphosphoinositol tetrakisphosphate	OP(O)(=O)O[C@H]1[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@@H]1OP(O)(O)=O	InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+/m1/s1
HMDB58511	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-38,40,42-44,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB52641	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,33-34,41,44,59H,4-15,17,22,24,26,30-32,35-40,42-43,45-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,33-27-,34-29-,44-41-
HMDB52640	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-33,35,39,41-42,44,57H,4-15,17,22,24,26,30,34,36-38,40,43,45-56H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-,44-41-
HMDB52643	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-34,37,40-41,44,46,49,59H,4-15,17,22,24,26,30,35-36,38-39,42-43,45,47-48,50-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,44-41-,49-46-
HMDB52642	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-34,37,40-41,44,59H,4-15,17,22,24,26,30,35-36,38-39,42-43,45-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,44-41-
HMDB52645	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-22,26-31,35,37-38,40,55H,4-7,9-10,12-16,23-25,32-34,36,39,41-54H2,1-3H3/b11-8-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-,40-37-
HMDB52644	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-22,26-31,37,40,55H,4-7,9-10,12-16,23-25,32-36,38-39,41-54H2,1-3H3/b11-8-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,40-37-
HMDB52647	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-33,35,39,41-42,44,57H,4-6,8-9,11-15,17,22,24,26,30,34,36-38,40,43,45-56H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-,44-41-
HMDB52646	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-33,35,39,42,57H,4-6,8-9,11-15,17,22,24,26,30,34,36-38,40-41,43-56H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-
HMDB52649	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-34,37,40-41,44,46,49,59H,4-6,8-9,11-15,17,22,24,26,30,35-36,38-39,42-43,45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,44-41-,49-46-
HMDB52648	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-34,37,40-41,44,59H,4-6,8-9,11-15,17,22,24,26,30,35-36,38-39,42-43,45-58H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,44-41-
HMDB55619	TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-6,9,12-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-
HMDB55618	TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-6,9,12-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-
HMDB53824	TG(20:3n6/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,40,43-44,47,66H,4-16,19,22-24,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-
HMDB37911	Tragopogonsaponin B	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C50H70O16/c1-45(2)20-21-50(44(61)66-43-40(35(55)29(52)24-62-43)64-34(54)15-10-25-8-11-26(51)12-9-25)28(22-45)27-13-14-31-47(5)18-17-33(63-42-38(58)36(56)37(57)39(65-42)41(59)60)46(3,4)30(47)16-19-48(31,6)49(27,7)23-32(50)53/h8-13,15,28-33,35-40,42-43,51-53,55-58H,14,16-24H2,1-7H3,(H,59,60)/b15-10+
HMDB46212	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,32,35,41,44,50,53,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,44-41-,53-50-
HMDB06583	Poly-N-acetyllactosamine	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	InChI=1S/C14H25NO11/c1-5(19)15-6(2-16)9(21)13(7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)/t6-,7+,8+,9+,10-,11-,12+,13+,14-/m0/s1
HMDB06582	Lewis a trisaccharide	[H][C@@](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](NC(C)=O)C=O	InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)36-18(9(26)4-23)17(8(3-22)21-7(2)25)35-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
HMDB06581	3-Sialyl-N-acetyllactosamine	[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(NC(C)=O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)14(35)10(34)4-28)46-21-15(36)11(5-29)43-23(18(21)39)44-19-12(6-30)42-22(27-8(2)32)17(38)16(19)37/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22?,23-,25+/m0/s1
HMDB06580	Lacto-N-difucohexaose	C[C@@H]1O[C@@H](O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C38H65NO29/c1-9-18(46)24(52)28(56)35(59-9)64-16(8-44)32(67-38-33(27(55)22(50)14(6-42)63-38)68-36-29(57)25(53)19(47)10(2)60-36)31(15(7-43)65-37-30(58)26(54)21(49)13(5-41)62-37)66-34-17(39-11(3)45)23(51)20(48)12(4-40)61-34/h7,9-10,12-38,40-42,44,46-58H,4-6,8H2,1-3H3,(H,39,45)/t9-,10-,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+/m0/s1
HMDB06587	Lactodifucotetraose	C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C24H42O19/c1-6-11(29)15(33)18(36)22(38-6)42-20(13(31)8(28)3-25)10(5-27)41-24-21(17(35)14(32)9(4-26)40-24)43-23-19(37)16(34)12(30)7(2)39-23/h5-26,28-37H,3-4H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22-,23-,24+/m0/s1
HMDB06584	6-Sialyl-N-acetyllactosamine	[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22?,23-,25-/m0/s1
HMDB06589	Sialyllacto-N-tetraose a	CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC3[C@H](O)[C@@H](CO)O[C@@H](OC4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)(OC1[C@H](O)[C@H](O)CO)C(O)=O	InChI=1S/C37H62N2O29/c1-10(46)38-19-12(48)3-37(36(59)60,67-30(19)22(53)14(50)5-41)68-32-25(56)18(9-45)63-35(27(32)58)65-29-20(39-11(2)47)33(61-16(7-43)23(29)54)66-31-24(55)17(8-44)62-34(26(31)57)64-28(15(51)6-42)21(52)13(49)4-40/h4,12-35,41-45,48-58H,3,5-9H2,1-2H3,(H,38,46)(H,39,47)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29?,30?,31?,32-,33-,34-,35-,37-/m0/s1
HMDB06588	Disialosyl galactosyl globoside	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)[C@@H](NC(C)=O)C=O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C36H59N3O27/c1-11(44)37-14(6-40)28(25(54)19(51)10-61-35(33(57)58)4-15(47)21(38-12(2)45)29(64-35)23(52)17(49)7-41)63-32-27(56)31(26(55)20(9-43)62-32)66-36(34(59)60)5-16(48)22(39-13(3)46)30(65-36)24(53)18(50)8-42/h6,14-32,41-43,47-56H,4-5,7-10H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,57,58)(H,59,60)/t14-,15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32-,35+,36-/m0/s1
HMDB56593	CL(16:0/18:1(11Z)/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-27,29-31,71-73,78H,5-24,28,32-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-/t71?,72-,73-/m1/s1
HMDB59286	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,41-46,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB52397	TG(18:2(9Z,12Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,19-20,22,25-28,32,34,51H,4-16,18,21,23-24,29-31,33,35-50H2,1-3H3/b20-17-,22-19-,27-25-,28-26-,34-32-
HMDB48408	TG(14:1(9Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,51H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-
HMDB52395	TG(24:1(15Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,51,54,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-,54-51-
HMDB52394	TG(24:1(15Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-
HMDB52393	TG(24:1(15Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,46,49,63H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-,49-46-
HMDB52392	TG(24:1(15Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,63H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-
HMDB52391	TG(24:1(15Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,41,44,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-,44-41-
HMDB48409	TG(14:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-
HMDB59280	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,69-70,87-89,94H,5-10,12-14,16-20,24,28-32,40-42,50-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB52399	TG(18:2(9Z,12Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-30,32,53H,4-15,17-18,21-22,25,28,31,33-52H2,1-3H3/b19-16-,23-20-,26-24-,29-27-,32-30-
HMDB52398	TG(18:2(9Z,12Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,16,20,22-24,27,29,52H,4-12,14-15,17-19,21,25-26,28,30-51H2,1-3H3/b16-13-,23-20-,24-22-,29-27-
HMDB59282	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-37,40-44,48-49,51-52,60,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-47,50,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,64-60-/t81?,82-,83-/m1/s1
HMDB56592	CL(16:0/18:1(11Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-26,28-30,32,69-71,76H,5-24,27,31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-,32-28-/t69?,70-,71-/m1/s1
HMDB59283	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-38,41-44,46,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,27-32,35,39-40,45,47-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB48400	TG(14:1(9Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,51H,4-14,16,19,21-24,26,28-31,33-34,36-50H2,1-3H3/b18-15-,20-17-,27-25-,35-32-
HMDB48401	TG(14:1(9Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(56)59-51-52(50-58-53(55)47-44-41-38-35-32-21-18-15-12-9-6-3)57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,52H,4-12,14,17,19-21,23,25-51H2,1-3H3/b16-13-,18-15-,24-22-
HMDB55268	TG(18:3(9Z,12Z,15Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-13,16-18,20-22,25-27,29-30,35,38,55H,4-7,10,14-15,19,23-24,28,31-34,36-37,39-54H2,1-3H3/b11-8-,12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-
HMDB48402	TG(14:1(9Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,53H,4-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-
HMDB10690	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OCC(O)([H])COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,75-77,82H,5-24,33-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-/t76-,77-/m1/s1
HMDB10691	CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCC(O)([H])COP(=O)(O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,75-77,82H,5-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1
HMDB10692	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCC(O)([H])COP(=O)(O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,75-77,82H,5-20,29-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1
HMDB10693	CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21,23,25,27-28,32-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,22,24,26,29-31,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB10694	CL(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-37,40-42,45-46,52,56,77-79,84H,5-20,24,29-31,38-39,43-44,47-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-/t77?,78-,79-/m1/s1
HMDB10695	CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9,13,21,23,25,27-28,32-37,40-42,45-46,54,58,77-79,84H,5-8,10-12,14-20,22,24,26,29-31,38-39,43-44,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB10696	CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-37,40-42,45-46,77-79,84H,5-8,10-12,14-20,24,29-31,38-39,43-44,47-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-/t77?,78-,79-/m1/s1
HMDB10697	Ceramide (t18:0/16:0)	[H][C@@](O)(C(O)CCCCCCCCCCCCCC)[C@]([H])(CO)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36-37,39H,3-30H2,1-2H3,(H,35,38)/t31-,32?,34-/m0/s1
HMDB10698	CerP(d18:0/16:0)	[H][C@@](O)(CCCCCCCCCCCCCCC)[C@]([H])(COP(O)(O)=O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C34H70NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36H,3-31H2,1-2H3,(H,35,37)(H2,38,39,40)/t32-,33+/m0/s1
HMDB10699	CerP(d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCC	InChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1
HMDB07186	DG(18:1(11Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,35,38H,3-12,17-34H2,1-2H3/b15-13-,16-14-/t35-/m0/s1
HMDB07187	DG(18:1(11Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,37,40H,3-12,14,16-36H2,1-2H3/b15-13-/t37-/m0/s1
HMDB07180	DG(18:0/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1
HMDB07181	DG(18:0/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-/t43-/m0/s1
HMDB07182	DG(18:1(11Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,33,36H,3-12,14,16-32H2,1-2H3/b15-13-/t33-/m0/s1
HMDB07183	DG(18:1(11Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12-13,15,33,36H,3-9,11,14,16-32H2,1-2H3/b12-10-,15-13-/t33-/m0/s1
HMDB54562	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-15,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB54563	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-15,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB54560	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,36,41,44,63H,4-15,18,21-24,27,30-33,35,37-40,42-43,45-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-34-,44-41-
HMDB54561	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,39,45,48,54,57,66H,4-15,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB54566	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37-38,41,43,46,52,55,64H,4-8,10-11,13-15,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB48406	TG(14:1(9Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,42,45,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-,45-42-
HMDB54564	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,33,35-36,41,44,50,53,62H,4-8,10-11,13-15,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB54565	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-8,10-11,13-15,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB54568	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB54569	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB58413	CL(18:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-37,40-44,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB53821	TG(20:3n6/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38-39,41-42,64H,4-16,19,22-24,31-37,40,43-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-
HMDB10346	Triiodothyronine glucuronide	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(I)=C1)C(O)=O	InChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/t12-,14-,15-,16+,18-,21+/m0/s1
HMDB10347	Octanoylglucuronide	CCCCCCCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C14H24O8/c1-2-3-4-5-6-7-8(15)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h9-12,14,16-18H,2-7H2,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
HMDB10344	Vitamin D2 3-glucuronide	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CCC2\C(CCC[C@]12C)=C\C=C1/CC(CCC1=C)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C34H52O7/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-34(26,27)6)12-13-24-18-25(14-11-21(24)4)40-33-30(37)28(35)29(36)31(41-33)32(38)39/h9-10,12-13,19-20,22,25-31,33,35-37H,4,7-8,11,14-18H2,1-3,5-6H3,(H,38,39)/b10-9+,23-12+,24-13+/t20-,22+,25?,26+,27?,28-,29-,30+,31-,33+,34+/m0/s1
HMDB10345	Aldosterone 18-glucuronide	[H][C@]12CC3(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C21	InChI=1S/C27H36O11/c1-26-7-6-12(29)8-11(26)2-3-13-14-4-5-15(16(30)10-28)27(14)9-17(18(13)26)36-25(27)38-24-21(33)19(31)20(32)22(37-24)23(34)35/h8,13-15,17-22,24-25,28,31-33H,2-7,9-10H2,1H3,(H,34,35)/t13?,14?,15-,17-,18?,19+,20+,21-,22+,24+,25?,26+,27?/m1/s1
HMDB10342	25-Hydroxyvitamin D2-25-glucuronide	C[C@H](\C=C\[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])CCC2\C(CCC[C@]12C)=C\C=C1\CC(O)CCC1=C	InChI=1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24?,25-,26?,27+,28+,29-,30+,32+,34-/m1/s1
HMDB10343	1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1
HMDB10340	Retinyl beta-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC\C=C(\C)/C=C/C=C(/C)\C=C\C2=C(C)CCCC2(C)C)O[C@H](C(O)=O)[C@H]1O	InChI=1S/C26H38O7/c1-16(11-12-19-18(3)10-7-14-26(19,4)5)8-6-9-17(2)13-15-32-25-22(29)20(27)21(28)23(33-25)24(30)31/h6,8-9,11-13,20-23,25,27-29H,7,10,14-15H2,1-5H3,(H,30,31)/b9-6+,12-11+,16-8-,17-13-/t20-,21-,22+,23-,25+/m0/s1
HMDB10341	Dextrorphan O-glucuronide	[H][C@]12CC3=C(C=C(OC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)[C@@]3(CCCC[C@]13[H])CCN2C	InChI=1S/C23H31NO7/c1-24-9-8-23-7-3-2-4-14(23)16(24)10-12-5-6-13(11-15(12)23)30-22-19(27)17(25)18(26)20(31-22)21(28)29/h5-6,11,14,16-20,22,25-27H,2-4,7-10H2,1H3,(H,28,29)/t14-,16+,17+,18+,19-,20+,22?,23+/m1/s1
HMDB10348	Dehydroepiandrosterone 3-glucuronide	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/t13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
HMDB10349	Estradiol-17alpha 3-D-glucuronoside	[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3	InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17-,18+,19+,20-,21+,23-,24+/m1/s1
HMDB53205	TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-34,36-38,41-42,45,58H,4-6,9,12-15,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB53938	TG(20:3n6/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-
HMDB53939	TG(20:3n6/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-6,8,11,13-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-
HMDB53934	TG(20:3n6/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,56H,4-7,10,13-15,22-24,29,33,35-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-
HMDB53935	TG(20:3n6/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,36,39,56H,4-7,10,13-15,22-24,29,33,35,37-38,40-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-
HMDB53936	TG(20:3n6/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,58H,4-6,8,11,13-15,22-24,30-31,37-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-
HMDB53937	TG(20:3n6/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41,44,58H,4-6,8,11,13-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-
HMDB53930	TG(20:3n6/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,41,44,58H,4-8,10-11,13-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-
HMDB53931	TG(20:3n6/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,37,60H,4-8,10-11,13-15,22-24,30-33,36,38-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-
HMDB53932	TG(20:3n6/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-
HMDB53933	TG(20:3n6/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-
HMDB53905	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44,62H,4-15,22-24,31,33-34,38,42-43,45-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-
HMDB53907	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37-38,41,43,46,64H,4-15,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB00325	3-Hydroxysuberic acid	OC(CCCCC(O)=O)CC(O)=O	InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)
HMDB00324	3a,16a-Dihydroxyandrostenone	[H][C@@]12C[C@@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C	InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13-,14-,15+,16+,18-,19+/m1/s1
HMDB00326	1b,3a,12a-Trihydroxy-5b-cholanoic acid	C[C@H](CCC(O)=O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@]12C	InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15+,16?,17?,18?,19?,20-,21+,23+,24-/m1/s1
HMDB00321	2-Hydroxyadipic acid	OC(CCCC(O)=O)C(O)=O	InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
HMDB00320	3a,4b,7a-Trihydroxy-5b-cholanoic acid	[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-20(27)28)14-5-6-15-21-16(8-10-23(14,15)2)24(3)11-9-18(25)22(29)17(24)12-19(21)26/h13-19,21-22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14?,15-,16-,17+,18+,19+,21-,22+,23+,24+/m0/s1
HMDB00323	3-Amino-2-piperidone	NC1CCCNC1=O	InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)
HMDB00322	16-Oxoandrostenediol	C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC(=O)[C@@H]2O	InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13?,14?,15?,17-,18-,19-/m0/s1
HMDB48530	TG(16:1(9Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,32,57H,4-19,22,25-27,29-31,33-56H2,1-3H3/b23-20-,24-21-,32-28-
HMDB48531	TG(16:1(9Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,31,37,40,56H,4-16,18-19,22-23,25,27-30,32-36,38-39,41-55H2,1-3H3/b20-17-,24-21-,31-26-,40-37-
HMDB48532	TG(16:1(9Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,57H,4-13,15-16,18-20,22,25,27-56H2,1-3H3/b17-14-,24-21-,26-23-
HMDB48533	TG(16:1(9Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,58H,4-16,18-19,22-23,25,27,29-32,34-35,37-57H2,1-3H3/b20-17-,24-21-,28-26-,36-33-
HMDB00329	2-Phenylbutyric acid	CCC(C(O)=O)C1=CC=CC=C1	InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
HMDB00328	12-Ketodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1
HMDB48536	TG(16:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,33,38,41,60H,4-15,17-18,20,22-23,26,28-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,27-25-,33-31-,41-38-
HMDB48537	TG(16:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,26,28-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,27-25-,33-31-,41-38-,50-47-
HMDB03665	Phosphoribosyl-ATP	NC1=[N+](C=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O)C1OC(COP(O)(O)=O)C(O)C1O	InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H6,25,26,27,28,29,30,31,32,33,34)/p+1
HMDB03667	Alpha-Pinene-oxide	CC12OC1CC1CC2C1(C)C	InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
HMDB03661	N-Methylputrescine	CNCCCCN	InChI=1S/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3
HMDB45139	TG(18:0/20:2n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,19,22-23,26,28,31,56H,4-13,15-16,18,20-21,24-25,27,29-30,32-55H2,1-3H3/b17-14-,22-19-,26-23-,31-28-
HMDB37324	Alitame	CC(NC(=O)C(N)CC(O)=O)C(=O)NC1C(C)(C)SC1(C)C	InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)
HMDB53828	TG(20:3n6/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38-39,41-42,64H,4-7,9-10,12-16,19,22-24,31-37,40,43-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-
HMDB53901	TG(20:3n6/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36-37,39-40,45,48,62H,4-7,9-10,12-15,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB57734	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26,29-30,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57735	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,46,50,58,62,77-79,84H,5-20,22-24,26,29-30,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57138	CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,36-37,39-40,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-35,38,41-42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB57139	CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB45135	TG(18:0/20:2n6/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,57H,4-13,15-16,18-22,24,27,29-56H2,1-3H3/b17-14-,26-23-,28-25-
HMDB57130	CL(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27,29-31,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB57131	CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,26,28-30,32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57132	CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,26,29-30,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB45134	TG(18:0/20:2n6/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,22,25-26,29,55H,4-12,14-15,17-21,23-24,27-28,30-54H2,1-3H3/b16-13-,25-22-,29-26-
HMDB57134	CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57135	CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB57136	CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1
HMDB57137	CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1
HMDB57739	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,29,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB44429	TG(16:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,41,44,62H,4-16,18-19,21-24,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,44-41-
HMDB53902	TG(20:3n6/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,38,41-42,45,64H,4-6,8-9,11-15,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-
HMDB31758	Allithiamine	C\C(N(CC1=C(N)N=C(C)N=C1)C=O)=C(\CCO)SSCC=C	InChI=1S/C15H22N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h4,8,10,20H,1,5-7,9H2,2-3H3,(H2,16,17,18)/b14-11+
HMDB31759	(E)-4-Oxo-2-hexen-1-al	CCC(=O)\C=C\C=O	InChI=1S/C6H8O2/c1-2-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
HMDB31751	y-Morphine	CN1CCC23C4OC5=C2C(CC1C3C=CC4O)=CC(=C5O)C1=CC2=C3C(OC4C(O)C=CC5C(C2)N(C)CCC345)=C1O	InChI=1S/C34H36N2O6/c1-35-9-7-33-19-3-5-23(37)31(33)41-29-25(33)15(13-21(19)35)11-17(27(29)39)18-12-16-14-22-20-4-6-24(38)32-34(20,8-10-36(22)2)26(16)30(42-32)28(18)40/h3-6,11-12,19-24,31-32,37-40H,7-10,13-14H2,1-2H3
HMDB31752	(S,E)-Zearalenone	CC1CCCC(=O)CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1	InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+
HMDB31753	2-(4-Allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol	COC1=CC(=CC=C1O)C(O)C(C)OC1=C(OC)C=C(CC=C)C=C1	InChI=1S/C20H24O5/c1-5-6-14-7-10-17(19(11-14)24-4)25-13(2)20(22)15-8-9-16(21)18(12-15)23-3/h5,7-13,20-22H,1,6H2,2-4H3
HMDB31754	Nequinate	CCCCC1=C(OCC2=CC=CC=C2)C=C2NC=C(C(=O)OC)C(=O)C2=C1	InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)
HMDB31755	Thiamine mononitrate	[O-]N(=O)=O.CC1=C(CCO)SC=[N+]1CC1=C(N)N=C(C)N=C1	InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1
HMDB31756	Veranisatin C	COC(=O)C1(O)C2CC3(C(C)CC(O)C3(O)C11COC1=O)C(O)C(=O)O2	InChI=1S/C16H20O10/c1-6-3-7(17)16(23)13(6)4-8(26-10(19)9(13)18)15(22,12(21)24-2)14(16)5-25-11(14)20/h6-9,17-18,22-23H,3-5H2,1-2H3
HMDB31757	Notoginsenoside J	CC(C)(O)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H74O16/c1-37(2)25(46)10-12-39(5)24-15-20(45)27-19(42(8,14-11-26(47)38(3,4)54)58-36-33(53)31(51)29(49)23(18-44)57-36)9-13-40(27,6)41(24,7)16-21(34(37)39)55-35-32(52)30(50)28(48)22(17-43)56-35/h19-36,43-54H,9-18H2,1-8H3
HMDB35448	Licoagroside A	COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C=C1O)C1=COC2=C(C=C(OC)C(O)=C2)C1=O	InChI=1S/C23H24O12/c1-31-16-4-10-14(5-13(16)26)33-8-11(19(10)27)9-3-12(25)17(32-2)6-15(9)34-23-22(30)21(29)20(28)18(7-24)35-23/h3-6,8,18,20-26,28-30H,7H2,1-2H3
HMDB35449	1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid; (1b,2a,3b,19a)-form, 28-O-[b-D-Glucopyranosyl-(1-&gt;2)-b-D-glucopyranosyl] ester	CC1CCC2(CCC3(C)C(=CCC4C3(C)CCC3C(C)(C)C(O)C(O)C(O)C43C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H68O16/c1-18-10-13-42(36(53)58-35-30(27(48)25(46)21(17-44)56-35)57-34-28(49)26(47)24(45)20(16-43)55-34)15-14-38(4)19(31(42)41(18,7)54)8-9-23-39(38,5)12-11-22-37(2,3)32(51)29(50)33(52)40(22,23)6/h8,18,20-35,43-52,54H,9-17H2,1-7H3
HMDB07969	PC(16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
HMDB35440	alpha,beta-Dihydroxanthohumol	COC1=C(C(=O)CCC2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1	InChI=1S/C21H24O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3
HMDB35441	Oenanthoside A	OCC1OC(OC2=C3OCOC3=CC(CC=C)=C2)C(O)C(O)C1O	InChI=1S/C16H20O8/c1-2-3-8-4-9-15(22-7-21-9)10(5-8)23-16-14(20)13(19)12(18)11(6-17)24-16/h2,4-5,11-14,16-20H,1,3,6-7H2
HMDB35442	Pimentol	COC1=CC(CC=C)=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	InChI=1S/C23H26O12/c1-3-4-10-5-14(32-2)18(27)15(6-10)34-23-21(30)20(29)19(28)16(35-23)9-33-22(31)11-7-12(24)17(26)13(25)8-11/h3,5-8,16,19-21,23-30H,1,4,9H2,2H3
HMDB35443	(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene	COC1=CC=C(\C=C\CC\C=C\C2=CC=C(OC)C=C2)C=C1	InChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3/b7-5+,8-6+
HMDB07966	PC(16:0/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h13,15,36H,6-12,14,16-35H2,1-5H3/b15-13-/t36-/m1/s1
HMDB07967	PC(16:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-24-21-19-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1
HMDB07964	PC(15:0/P-18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42(3,4)5)38-47-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,33,36,40H,6-19,22-32,34-35,37-39H2,1-5H3/b21-20-,36-33-
HMDB35447	5-Isopropyl-2-methylphenol; Ac	CC(C)C1=CC=C(C)C(OC(C)=O)=C1	InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3
HMDB51105	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,40,43,49,52,66H,4-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b28-25-,29-26-,30-27-,43-40-,52-49-
HMDB47074	TG(24:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,42,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41,43-61H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-40-
HMDB02217	(S)-Methylmalonic acid semialdehyde	C[C@@H](C=O)C(O)=O	InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1
HMDB02215	4a-Carbinolamine tetrahydrobiopterin	[H][C@@]1(CN=C2NC(N)=NC(=O)C2=N1)[C@@H](O)[C@H](C)O	InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1
HMDB02214	Cuminaldehyde	CC(C)C1=CC=C(C=O)C=C1	InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
HMDB02212	Arachidic acid	CCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
HMDB02211	Uroporphyrinogen I	OC(=O)CCC1=C2CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=C(CC5=C(CC(O)=O)C(CCC(O)=O)=C(CC(N2)=C1CC(O)=O)N5)N4)N3	InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
HMDB02210	2-Phenylglycine	NC(C(O)=O)C1=CC=CC=C1	InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)
HMDB02219	Glycitin	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1	InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3
HMDB47076	TG(24:0/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-39-42-45-48-51-54-60(62)65-58-59(66-61(63)55-52-49-46-43-40-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB30089	trans-Ocimen	CC(C)=CC\C=C(/C)C=C	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
HMDB30088	cis-Ocimene	CC(C)=CC\C=C(\C)C=C	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-
HMDB30083	()-Hydroxycitronellol	CC(CCO)CCCC(C)(C)O	InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
HMDB30082	5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one	CC(C)CC(=O)C1=C(O)C(O)(C(CC(O)C(C)(C)O)C1=O)C(=O)CC1OC1(C)C	InChI=1S/C21H32O8/c1-10(2)7-12(22)16-17(25)11(8-13(23)19(3,4)27)21(28,18(16)26)14(24)9-15-20(5,6)29-15/h10-11,13,15,23,26-28H,7-9H2,1-6H3
HMDB30081	Carissanol	COC1=CC(CC2COC(O)C2(O)CC2=CC=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C20H24O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,19,21-24H,7,10-11H2,1-2H3
HMDB30080	Wampetin	C\C(CC1OC(=O)C(C)=C1)=C\COC1=C2OC(=O)C=CC2=CC2=C1OC=C2	InChI=1S/C21H18O6/c1-12(9-16-10-13(2)21(23)26-16)5-7-25-20-18-15(6-8-24-18)11-14-3-4-17(22)27-19(14)20/h3-6,8,10-11,16H,7,9H2,1-2H3/b12-5-
HMDB30087	(-)-Arctigenin	COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C=C2)C=C1OC	InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
HMDB30085	Pubescenol	CC(C1CCC2C3C(O)CC4C(O)CCC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(=O)O1	InChI=1S/C28H42O6/c1-14(21-13-26(3)28(5,34-26)24(32)33-21)15-6-7-16-23-17(10-11-25(15,16)2)27(4)18(12-20(23)30)19(29)8-9-22(27)31/h14-21,23,29-30H,6-13H2,1-5H3
HMDB30084	Diosbulbinoside D	CC12CC(OC(=O)C1CC(OC1OC(CO)C(O)C(O)C1O)=C1C3CC(CC21)OC3=O)C1=COC=C1	InChI=1S/C25H30O11/c1-25-7-16(10-2-3-32-9-10)34-23(31)14(25)6-15(18-12-4-11(5-13(18)25)33-22(12)30)35-24-21(29)20(28)19(27)17(8-26)36-24/h2-3,9,11-14,16-17,19-21,24,26-29H,4-8H2,1H3
HMDB57008	CL(18:0/18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB01417	Permanganate	[O-][Mn](=O)(=O)=O	InChI=1S/Mn.4O/q;;;;-1
HMDB54045	TG(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,41-42,44-45,58H,4-15,18,21-24,27,30-32,37-40,43,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB54047	TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-15,18,21-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB47071	TG(24:0/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,38,41,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,33-26-,41-38-
HMDB54041	TG(20:4(5Z,8Z,11Z,14Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,39-40,42-43,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB08358	PC(20:2(11Z,14Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,38,41,45H,6-13,15,17-19,21,23-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,41-38-
HMDB08359	PC(20:2(11Z,14Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,38,41,45H,6-13,15,18,21,23-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,41-38-
HMDB40367	Azacridone A	CN1C2=C(C=CN=C2)C(=O)C2=C1C1=C(OC(C)(C)C=C1)C=C2O	InChI=1S/C18H16N2O3/c1-18(2)6-4-11-14(23-18)8-13(21)15-16(11)20(3)12-9-19-7-5-10(12)17(15)22/h4-9,21H,1-3H3
HMDB51269	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-15,17,20,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB40361	1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene	COC(OC)\C=C(\C)CCC=C(C)C	InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9-
HMDB40360	2-Acetylpyrrole; N-Me	CN1C=CC=C1C(C)=O	InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3
HMDB40363	()-Glycerol 1-monophosphate Mg salt (1:1)	[Mg++].OCC(O)COP([O-])([O-])=O	InChI=1S/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
HMDB40362	()-Glycerol 1-monophosphate K salt (1:2)	[K+].[K+].OCC(O)COP([O-])([O-])=O	InChI=1S/C3H9O6P.2K/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2
HMDB08350	PC(20:2(11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,48H,6-13,18-19,24-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t48-/m1/s1
HMDB08351	PC(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,31,33,48H,6-13,18-19,24,26,28-30,32,34-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,33-31-/t48-/m1/s1
HMDB08352	PC(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,31,33,37,39,48H,6-13,18-19,24,26,28-30,32,34-36,38,40-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,33-31-,39-37-/t48-/m1/s1
HMDB08353	PC(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,31,33,48H,6-7,9,11-13,18-19,24,26,28-30,32,34-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,33-31-/t48-/m1/s1
HMDB08354	PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,31,33,37,39,48H,6-7,9,11-13,18-19,24,26,28-30,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,33-31-,39-37-/t48-/m1/s1
HMDB08355	PC(20:2(11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,50H,6-14,16,18-20,22,24-49H2,1-5H3/b17-15-,23-21-/t50-/m1/s1
HMDB08356	PC(20:2(11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,50H,6-14,16,18-19,24-49H2,1-5H3/b17-15-,22-20-,23-21-/t50-/m1/s1
HMDB08357	PC(20:2(11Z,14Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,36,39,43H,6-13,15,17-19,21,23-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,39-36-
HMDB57007	CL(18:0/18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB44086	TG(16:0/18:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18-19,22,48H,4-14,16-17,20-21,23-47H2,1-3H3/b18-15-,22-19-
HMDB47073	TG(24:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,38,43,46,60H,4-7,9-10,12-16,18-19,21-25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-26-,38-35-,46-43-
HMDB44224	TG(16:0/24:1(15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-
HMDB51679	TG(22:1(13Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,34,60H,4-19,21-22,24,26-27,30-33,35-59H2,1-3H3/b23-20-,28-25-,34-29-
HMDB44225	TG(16:0/24:1(15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,64H,4-25,27,29-63H2,1-3H3/b28-26-
HMDB56657	CL(16:0/18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,39-40,44,52,56,75-77,82H,5-20,22-24,27-29,31-32,34,37-38,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,36-33-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB33060	Piperolactam A	COC1=CC2=C3C(NC2=O)=CC2=C(C=CC=C2)C3=C1O	InChI=1S/C16H11NO3/c1-20-12-7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15(12)18/h2-7,18H,1H3,(H,17,19)
HMDB33061	1-(Methylsulfinyl)propyl propyl disulfide	CCCSSC(CC)S(C)=O	InChI=1S/C7H16OS3/c1-4-6-9-10-7(5-2)11(3)8/h7H,4-6H2,1-3H3
HMDB33062	2-Propenyl 1-(2-propenylsulfinyl)propyl disulfide	CCC(SSCC=C)S(=O)CC=C	InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,9H,1-2,6-8H2,3H3
HMDB33063	2,3-Butanediol, 9CI; (2x,3x)-form, O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(O)C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C15H28O11/c1-6(17)7(2)25-13-11(20)10(19)9(18)8(26-13)3-23-14-12(21)15(22,4-16)5-24-14/h6-14,16-22H,3-5H2,1-2H3
HMDB33064	(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside	C\C=C(/C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C11H20O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h3,7-15H,4-5H2,1-2H3/b6-3+
HMDB33065	1,2-Propanediol, 9CI; (x)-form, 1-O-b-D-Glucopyranoside	CC(O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C9H18O7/c1-4(11)3-15-9-8(14)7(13)6(12)5(2-10)16-9/h4-14H,2-3H2,1H3
HMDB33066	1-(4-Hydroxyphenyl)-1,2-propanediol, 9CI; (1R,2S)-form, 4'-Me ether, 1-O-b-D-glucopyranoside	COC1=CC=C(C=C1)C(OC1OC(CO)C(O)C(O)C1O)C(C)O	InChI=1S/C16H24O8/c1-8(18)15(9-3-5-10(22-2)6-4-9)24-16-14(21)13(20)12(19)11(7-17)23-16/h3-6,8,11-21H,7H2,1-2H3
HMDB33067	1-(4-Hydroxyphenyl)-1,2-propanediol, 9CI; (1R,2S)-form, 4'-Me ether, 2-O-b-D-glucopyranoside	COC1=CC=C(C=C1)C(O)C(C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H24O8/c1-8(12(18)9-3-5-10(22-2)6-4-9)23-16-15(21)14(20)13(19)11(7-17)24-16/h3-6,8,11-21H,7H2,1-2H3
HMDB33068	1-(4-Hydroxyphenyl)-1,2-propanediol, 9CI; (1RS,2RS)-form, 4'-O-b-D-Glucopyranoside	CC(O)C(O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C15H22O8/c1-7(17)11(18)8-2-4-9(5-3-8)22-15-14(21)13(20)12(19)10(6-16)23-15/h2-5,7,10-21H,6H2,1H3
HMDB33069	7-Chloro-3,4',5,6,8-pentamethoxyflavone	COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(Cl)C(OC)=C2O1	InChI=1S/C20H19ClO7/c1-23-11-8-6-10(7-9-11)15-20(27-5)14(22)12-16(24-2)18(25-3)13(21)19(26-4)17(12)28-15/h6-9H,1-5H3
HMDB56651	CL(16:0/18:1(9Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,34,36,71-73,78H,5-24,26-28,30-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,36-34-/t71?,72-,73-/m1/s1
HMDB51670	TG(22:1(13Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,37,63H,4-15,17-18,20,22-23,27,31-36,38-62H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-30-
HMDB50169	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-32,34,56H,4-8,10-11,13-15,17,20,22-24,29,33,35-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-
HMDB08828	PE(14:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,35H,3-15,18-34,38H2,1-2H3,(H,41,42)/b17-16-/t35-/m1/s1
HMDB08829	PE(14:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,35H,3-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-/t35-/m1/s1
HMDB08822	PE(14:0/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C33H64NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,31H,3-9,11,13-30,34H2,1-2H3,(H,37,38)/b12-10-/t31-/m1/s1
HMDB08823	PE(14:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)43-32(31-42-44(38,39)41-29-28-35)30-40-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1
HMDB08820	PC(24:1(15Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h20-23,42,45,49H,6-19,24-41,43-44,46-48H2,1-5H3/b22-20-,23-21-,45-42-
HMDB08821	PE(14:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
HMDB08826	PE(14:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
HMDB08827	PE(14:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34,38H2,1-2H3,(H,41,42)/b15-13-/t35-/m1/s1
HMDB08824	PE(14:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1
HMDB08825	PE(14:0/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,33H,3-12,14,16-32,36H2,1-2H3,(H,39,40)/b15-13-/t33-/m1/s1
HMDB41888	epinine	CNCCC1=CC(O)=C(O)C=C1	InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3
HMDB45450	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,40-37-,49-46-
HMDB45451	TG(18:0/o-18:0/18:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55H,4-54H2,1-3H3
HMDB45452	TG(18:0/o-18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h57H,4-56H2,1-3H3
HMDB45453	TG(18:0/o-18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h59H,4-58H2,1-3H3
HMDB45454	TG(18:0/o-18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h61H,4-60H2,1-3H3
HMDB45455	TG(18:0/o-18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-
HMDB45456	TG(18:0/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,53H,4-20,22-23,25-52H2,1-3H3/b24-21-
HMDB45457	TG(18:0/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-
HMDB45458	TG(18:0/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h26,29,55H,4-25,27-28,30-54H2,1-3H3/b29-26-
HMDB45459	TG(18:0/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,57H,4-24,26-27,29-56H2,1-3H3/b28-25-
HMDB29272	5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone	[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C1=C(OC([H])([H])[H])C(=O)C2=C(O[H])C3=C(OC([H])([H])O3)C([H])=C2O1	InChI=1S/C18H14O8/c1-22-10-5-8(3-4-9(10)19)16-18(23-2)15(21)13-11(26-16)6-12-17(14(13)20)25-7-24-12/h3-6,19-20H,7H2,1-2H3
HMDB29273	2,6-Dimethoxybenzoic acid	COC1=CC=CC(OC)=C1C(O)=O	InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
HMDB36151	Arabsin	CC1C2C(OC1=O)C1C(C)C(=O)CCC1(C)CC2O	InChI=1S/C15H22O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h7-8,10-13,17H,4-6H2,1-3H3
HMDB36150	4,11,13,15-Tetrahydroridentin B	[H][C@@]12[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]1(C)[C@H](O)C[C@H](O)[C@@H]2C	InChI=1S/C15H24O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-13,16-17H,4-6H2,1-3H3/t7-,8-,9-,10-,11+,12+,13-,15-/m0/s1
HMDB29276	Cis-Caffeoyl tartaric acid	[H]OC(=O)[C@]([H])(O[H])[C@@]([H])(OC(=O)C(\[H])=C(\[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H])C(=O)O[H]	InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2-/t10-,11-/m1/s1
HMDB36156	Deoxynivalenol	CC1=CC2OC3C(O)CC(C)(C33CO3)C2(CO)C(O)C1=O	InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3
HMDB36155	Curzerenone	CC(=C)C1C(=O)C2=C(CC1(C)C=C)OC=C2C	InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3
HMDB29275	Gallagic acid	OC1=CC2=C(C3C(OC2=O)C(O)=C2OC(=O)C4=C5C(OC(=O)C3=C25)=C(O)C2=C4C3=C(C=C(O)C(O)=C3O)C(=O)O2)C(O)=C1O	InChI=1S/C28H12O16/c29-5-1-3-7(17(33)15(5)31)9-13-11-12-14(28(40)44-23(11)19(35)21(9)41-25(3)37)10-8-4(2-6(30)16(32)18(8)34)26(38)42-22(10)20(36)24(12)43-27(13)39/h1-2,9,21,29-36H
HMDB29278	Cis-5-Caffeoylquinic acid	[H]OC(=O)[C@]1(O[H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)C(\[H])=C(\[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C1([H])[H]	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14-,16+/m1/s1
HMDB36158	4-Deacetylneosolaniol	CC(=O)OCC12CC(O)C(C)=CC1OC1C(O)C(O)C2(C)C11CO1	InChI=1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3
HMDB44549	TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34,36-37,39,45,48,58H,4-7,9-10,12-15,18,21-24,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-
HMDB44548	TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34,36-37,39,58H,4-7,9-10,12-15,18,21-24,29,31,33,35,38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-
HMDB07791	DG(24:0/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-25-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1
HMDB13267	N-Decanoylglycine	CCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C12H23NO3/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)
HMDB07790	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1
HMDB07793	DG(24:0/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-41(44)46-39-40(38-43)47-42(45)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3/t40-/m0/s1
HMDB07792	DG(24:0/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,39,42H,3-9,11,13-38H2,1-2H3/b12-10-/t39-/m0/s1
HMDB07795	DG(24:0/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16,41,44H,3-13,15,17-40H2,1-2H3/b16-14-/t41-/m0/s1
HMDB07794	DG(24:0/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1
HMDB30878	Methyl 2-propenyl selenide	C[Se]CC=C	InChI=1S/C4H8Se/c1-3-4-5-2/h3H,1,4H2,2H3
HMDB30879	Methyl methylthio selenide	CS[Se]C	InChI=1S/C2H6SSe/c1-3-4-2/h1-2H3
HMDB07797	DG(24:0/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16,43,46H,3-13,15,17-42H2,1-2H3/b16-14-/t43-/m0/s1
HMDB30872	Gentioside	COC1=CC=C2OC3=C(C(O)=CC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)=C3)C(=O)C2=C1	InChI=1S/C25H28O14/c1-34-9-2-3-14-11(4-9)18(28)17-12(26)5-10(6-15(17)38-14)37-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)13(27)7-35-24/h2-6,13,16,19-27,29-33H,7-8H2,1H3
HMDB30873	1-Hydroxy-3,7-dimethoxyxanthone	COC1=CC=C2OC3=C(C(O)=CC(OC)=C3)C(=O)C2=C1	InChI=1S/C15H12O5/c1-18-8-3-4-12-10(5-8)15(17)14-11(16)6-9(19-2)7-13(14)20-12/h3-7,16H,1-2H3
HMDB30870	1-Hydroxy-3-methoxy-7-primeverosyloxyxanthone	COC1=CC2=C(C(O)=C1)C(=O)C1=CC(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)=CC=C1O2	InChI=1S/C25H28O14/c1-34-10-5-12(26)17-15(6-10)38-14-3-2-9(4-11(14)18(17)28)37-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)13(27)7-35-24/h2-6,13,16,19-27,29-33H,7-8H2,1H3
HMDB07796	DG(24:0/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1
HMDB30876	Bis(methylthio) selenide	CS[Se]SC	InChI=1S/C2H6S2Se/c1-3-5-4-2/h1-2H3
HMDB30877	Methyl (2-propenylthio) selenide	C[Se]SCC=C	InChI=1S/C4H8SSe/c1-3-4-5-6-2/h3H,1,4H2,2H3
HMDB30874	Phomarin	CC1=CC2=C(C(O)=C1)C(=O)C1=CC=C(O)C=C1C2=O	InChI=1S/C15H10O4/c1-7-4-11-13(12(17)5-7)15(19)9-3-2-8(16)6-10(9)14(11)18/h2-6,16-17H,1H3
HMDB30875	2',4-Dihydroxy-4',6'-dimethoxychalcone	COC1=CC(OC)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1	InChI=1S/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b8-5+
HMDB44542	TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,34,55H,4-6,8-9,11-15,17-18,21-22,24,26,29,32-33,35-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,34-31-
HMDB42184	TG(14:0/20:0/18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB44545	TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-
HMDB50160	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,37,40,46,49,59H,4-15,17-18,20-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB43126	TG(15:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,37,40,46,49,59H,4-15,17-18,20-24,26,28-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,27-25-,33-31-,40-37-,49-46-
HMDB43127	TG(15:0/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-54H2,1-3H3/b11-8-,20-17-,31-26-
HMDB43124	TG(15:0/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,59H,4-15,17-18,20-24,26,28-58H2,1-3H3/b19-16-,27-25-
HMDB43125	TG(15:0/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,37,40,59H,4-15,17-18,20-24,26,28-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,27-25-,33-31-,40-37-
HMDB43122	TG(15:0/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,57H,4-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b20-17-,28-26-,35-33-
HMDB42183	TG(14:0/20:0/16:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB43120	TG(15:0/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,36,39,55H,4-16,18-19,21-25,27-30,32-35,37-38,40-54H2,1-3H3/b20-17-,31-26-,39-36-
HMDB43121	TG(15:0/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,56H,4-13,15-16,18-22,24-25,27-55H2,1-3H3/b17-14-,26-23-
HMDB43128	TG(15:0/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,36,39,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-35,37-38,40-54H2,1-3H3/b11-8-,20-17-,31-26-,39-36-
HMDB43129	TG(15:0/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-
HMDB36845	Cembrene	CC(C)C1CC\C(C)=C/CC\C(C)=C/C\C=C(/C)\C=C/1	InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11-
HMDB36844	Lepidiumterpenoid	CCCC(C)CCCC(C)C(=O)CC(O)C(C)C\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C27H48O2/c1-8-12-20(2)13-9-14-22(4)25(28)19-26(29)23(5)15-10-17-24-21(3)16-11-18-27(24,6)7/h10,17,20,22-23,26,29H,8-9,11-16,18-19H2,1-7H3/b17-10+
HMDB36847	Colubrinic acid	CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC34C)C12)C(O)=O	InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)
HMDB36846	Icariside B8	CC(=O)CCC1=C(C)C(O)C(CC1(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H32O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h12-18,20,22-25H,5-8H2,1-4H3
HMDB36841	ent-19-Trachylobanal	CC12CC34CC1C2CC3C1(C)CCCC(C)(C=O)C1CC4	InChI=1S/C20H30O/c1-17(12-21)6-4-7-18(2)15(17)5-8-20-10-14-13(9-16(18)20)19(14,3)11-20/h12-16H,4-11H2,1-3H3
HMDB36840	19-Trachylobanoic acid; ent-form, Thujyl ester	CC(C)C12CC1C(C)(CC2)OC(=O)C1(C)CCCC2(C)C3CC4C5CC3(CC45C)CCC12	InChI=1S/C30H46O2/c1-18(2)30-13-12-28(6,23(30)16-30)32-24(31)26(4)10-7-9-25(3)21(26)8-11-29-15-20-19(14-22(25)29)27(20,5)17-29/h18-23H,7-17H2,1-6H3
HMDB36843	Lepidiumsesterterpenol	CCC(C)C\C=C\C(C)C(O)CCC(C)CCCC(C)CCCC(C)(C)O	InChI=1S/C25H50O2/c1-8-20(2)12-10-16-23(5)24(26)18-17-22(4)14-9-13-21(3)15-11-19-25(6,7)27/h10,16,20-24,26-27H,8-9,11-15,17-19H2,1-7H3/b16-10+
HMDB36842	Hydratopyrrhoxanthinol	C\C(=C/C=C\C=C\C=C(\C)C#CC1=C(C)CC(O)CC1(C)C)\C=C1\OC(=O)C(\C=C\C2(O)C(C)(C)CC(O)CC2(C)O)=C1	InChI=1S/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13-,26-14+,31-19+
HMDB36849	Valenciachrome	C\C(CCCO)=C/C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C27H40O3/c1-20(11-7-8-12-21(2)14-10-16-28)13-9-15-22(3)24-17-25-26(4,5)18-23(29)19-27(25,6)30-24/h7-9,11-13,15,17,23-24,28-29H,10,14,16,18-19H2,1-6H3/b8-7-,13-9+,20-11+,21-12+,22-15-
HMDB36848	(9E)-Valenciaxanthin	C\C(CCCO)=C\C=C/C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C27H40O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-9,11-14,16-17,24,28-29H,10,15,18-20H2,1-6H3/b8-7-,13-9+,17-16+,21-11-,22-12-,23-14-
HMDB39398	Quinquenoside F1	CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C42H74O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h20-36,43-53H,9-19H2,1-8H3
HMDB39399	Basellasaponin A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H70O21/c1-41(2)13-15-46(39(60)67-36-30(54)29(53)28(52)23(18-48)63-36)16-14-44(5)21(22(46)17-41)7-8-25-42(3)11-10-26(43(4,20-49)24(42)9-12-45(25,44)6)64-37-31(55)32-33(34(65-37)35(56)57)68-47(61,38(58)59)40(66-32)62-19-27(50)51/h7,22-26,28-34,36-37,40,48-49,52-55,61H,8-20H2,1-6H3,(H,50,51)(H,56,57)(H,58,59)
HMDB50166	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,26-31,55H,4-8,10-11,13-17,20,23-25,32-54H2,1-3H3/b12-9-,21-18-,22-19-,29-26-,30-27-,31-28-
HMDB39390	3-Hydroxy-7-oxociguatoxin	CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(CC(O)C(O)CO)OC1C%10O	InChI=1S/C60H88O21/c1-26-14-41-43(20-48-54(78-41)28(3)52(67)58-55(79-48)27(2)29(4)60(81-58)23-31(63)25-69-60)74-45-22-51-59(5,80-46(45)15-26)50(66)21-44-36(76-51)9-7-6-8-35-37(73-44)10-11-39-38(71-35)12-13-40-42(72-39)19-49-57(77-40)53(68)56-47(75-49)17-30(62)16-32(70-56)18-33(64)34(65)24-61/h6-7,10-13,26-29,31-58,61,63-68H,8-9,14-25H2,1-5H3/b7-6-
HMDB39391	4-Hydroxy-7-oxociguatoxin	CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(OC1C%10O)C(O)CC(O)CO	InChI=1S/C60H88O21/c1-26-14-41-43(20-48-54(78-41)28(3)52(67)58-55(79-48)27(2)29(4)60(81-58)23-32(64)25-69-60)73-45-22-51-59(5,80-46(45)15-26)50(66)21-44-35(75-51)9-7-6-8-34-36(72-44)10-11-38-37(70-34)12-13-39-42(71-38)19-49-57(76-39)53(68)56-47(74-49)18-30(62)17-40(77-56)33(65)16-31(63)24-61/h6-7,10-13,26-29,31-58,61,63-68H,8-9,14-25H2,1-5H3/b7-6-
HMDB39392	54-Deoxy-50-hydroxyciguatoxin	CC1C2(CCCO2)OC2C(OC3CC4OC5CC6OC7C\C=C/CC8OC9C=CC%10OC%11C(CC%10OC9C=CC8OC7CC(O)C6(C)OC5CC(C)CC4OC3C(C)C2O)OC2CC=CC(OC2C%11O)\C=C/C(O)CO)C1(C)O	InChI=1S/C60H86O19/c1-29-22-41-43(25-47-53(76-41)30(2)51(64)56-57(77-47)58(4,66)31(3)60(79-56)20-9-21-67-60)73-45-27-50-59(5,78-46(45)23-29)49(63)26-44-35(74-50)12-7-6-11-34-36(71-44)16-17-38-37(69-34)18-19-39-42(70-38)24-48-55(75-39)52(65)54-40(72-48)13-8-10-33(68-54)15-14-32(62)28-61/h6-8,10,14-19,29-57,61-66H,9,11-13,20-28H2,1-5H3/b7-6-,15-14-
HMDB39393	M-Secociguatoxin 4A	CC1C(C)C(O)(CCCO)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C=C	InChI=1S/C60H86O17/c1-7-8-13-34-14-11-17-41-56(66-34)53(64)57-49(70-41)26-43-40(73-57)21-20-38-39(68-43)19-18-37-35(67-38)15-9-10-16-36-45(69-37)28-50(62)59(6)51(72-36)29-46-47(76-59)25-30(2)24-42-44(71-46)27-48-54(74-42)32(4)52(63)58-55(75-48)31(3)33(5)60(65,77-58)22-12-23-61/h7-11,13-14,18-21,30-58,61-65H,1,12,15-17,22-29H2,2-6H3/b10-9-,13-8-
HMDB39394	52-Epiciguatoxin	CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C(O)CO	InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13-
HMDB39395	Tuberoside K	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(CO)CO1	InChI=1S/C45H74O18/c1-18-30-28(63-45(18)11-8-21(15-46)17-56-45)13-25-23-7-6-22-12-27(26(48)14-44(22,5)24(23)9-10-43(25,30)4)59-42-39(62-41-36(54)34(52)32(50)20(3)58-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)19(2)57-40/h18-42,46-55H,6-17H2,1-5H3
HMDB39396	Tuberoside J	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(CO)CO1	InChI=1S/C39H64O14/c1-17-28-26(53-39(17)10-7-19(14-40)16-48-39)12-23-21-6-5-20-11-25(24(42)13-38(20,4)22(21)8-9-37(23,28)3)50-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)18(2)49-35/h17-36,40-47H,5-16H2,1-4H3
HMDB39397	Tuberoside L	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(COC2OC(CO)C(O)C(O)C2O)CO1	InChI=1S/C51H84O23/c1-19-32-29(74-51(19)11-8-22(18-66-51)17-65-45-39(61)38(60)35(57)30(15-52)70-45)13-26-24-7-6-23-12-28(27(54)14-50(23,5)25(24)9-10-49(26,32)4)69-48-44(73-47-41(63)37(59)34(56)21(3)68-47)42(64)43(31(16-53)71-48)72-46-40(62)36(58)33(55)20(2)67-46/h19-48,52-64H,6-18H2,1-5H3
HMDB42181	TG(14:0/20:0/14:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h48H,4-47H2,1-3H3
HMDB50167	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,37,54H,4-8,10-11,13-15,17,20,22-24,31-33,35-36,38-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-
HMDB42180	TG(14:0/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB48499	TG(16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,34,37,43,46,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,37-34-,46-43-
HMDB44479	TG(16:0/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,50H,4-6,8-9,11-15,17-18,21-22,24,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-
HMDB44478	TG(16:0/18:3(9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,48H,4-6,8-9,11-14,17,20-23,26-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-
HMDB44471	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-39,41-42,47-48,50-51,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-
HMDB44470	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-39,41-42,48,51,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-
HMDB44473	TG(16:0/18:3(9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,50H,4-6,8-9,11-15,17-18,20-24,27-49H2,1-3H3/b10-7-,19-16-,26-25-
HMDB44472	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,38,44,47,57H,4-15,17-18,20-24,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,31-30-,38-35-,47-44-
HMDB44475	TG(16:0/18:3(9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-53H2,1-3H3/b11-8-,20-17-,29-26-
HMDB44474	TG(16:0/18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,52H,4-7,9-10,12-16,18-19,21-25,27,29-51H2,1-3H3/b11-8-,20-17-,28-26-
HMDB44477	TG(16:0/18:3(9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-57H2,1-3H3/b11-8-,20-17-,33-26-
HMDB44476	TG(16:0/18:3(9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-55H2,1-3H3/b11-8-,20-17-,31-26-
HMDB58627	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB34579	8-O-Methyloblongine	COC1=C(OC)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1	InChI=1S/C20H25NO3/c1-21(2)12-11-15-7-10-18(23-3)20(24-4)19(15)17(21)13-14-5-8-16(22)9-6-14/h5-10,17H,11-13H2,1-4H3/p+1
HMDB34578	Deterrol stearate	CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=CC(=CC=C2C)C(C)=C	InChI=1S/C33H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h21-25H,2,5-20,26H2,1,3-4H3
HMDB34573	Phenethyl 6-galloylglucoside	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OCCC2=CC=CC=C2)C1O	InChI=1S/C21H24O10/c22-13-8-12(9-14(23)16(13)24)20(28)30-10-15-17(25)18(26)19(27)21(31-15)29-7-6-11-4-2-1-3-5-11/h1-5,8-9,15,17-19,21-27H,6-7,10H2
HMDB34572	Chrysophanol 1-tetraglucoside	CC1=CC2=C(C(=O)C3=C(O)C=CC=C3C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C39H50O24/c1-11-5-13-21(27(48)20-12(22(13)43)3-2-4-14(20)42)15(6-11)58-38-32(53)29(50)24(45)18(61-38)10-57-37-34(55)35(26(47)17(8-41)60-37)63-39-33(54)30(51)25(46)19(62-39)9-56-36-31(52)28(49)23(44)16(7-40)59-36/h2-6,16-19,23-26,28-42,44-47,49-55H,7-10H2,1H3
HMDB34571	Chrysophanol 1-triglucoside	CC1=CC2=C(C(=O)C3=C(O)C=CC=C3C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C33H40O19/c1-10-5-12-19(24(41)18-11(20(12)37)3-2-4-13(18)36)14(6-10)48-32-27(44)26(43)22(39)17(51-32)9-47-31-29(46)30(23(40)16(8-35)49-31)52-33-28(45)25(42)21(38)15(7-34)50-33/h2-6,15-17,21-23,25-36,38-40,42-46H,7-9H2,1H3
HMDB34570	Norrubrofusarin 6-beta-gentiobioside	CC1=CC(=O)C2=C(O1)C=C1C=C(O)C=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C1=C2O	InChI=1S/C26H30O15/c1-8-2-11(29)17-12(38-8)4-9-3-10(28)5-13(16(9)20(17)32)39-26-24(36)22(34)19(31)15(41-26)7-37-25-23(35)21(33)18(30)14(6-27)40-25/h2-5,14-15,18-19,21-28,30-36H,6-7H2,1H3
HMDB34577	4-Chloro-6,7-dimethoxy-2-benzoxazolinone	COC1=CC(Cl)=C2NC(=O)OC2=C1OC	InChI=1S/C9H8ClNO4/c1-13-5-3-4(10)6-8(7(5)14-2)15-9(12)11-6/h3H,1-2H3,(H,11,12)
HMDB34576	3,4,15-Scirpenetriol; (3a,4b)-form, 3-Ac	CC(=O)OC1C(O)C2(C)C3(CO3)C1OC1C=C(C)CCC21CO	InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(22-10(2)19)13(20)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3
HMDB34575	3'-Hydroxy-T2-triol	CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1OC(=O)CC(C)(C)O	InChI=1S/C20H30O8/c1-10-5-12-19(8-21,6-11(10)27-13(22)7-17(2,3)25)18(4)15(24)14(23)16(28-12)20(18)9-26-20/h5,11-12,14-16,21,23-25H,6-9H2,1-4H3
HMDB34574	Apotrichothecene; 3b-Hydroxy	CC1=CC2OC3(CO)CC(O)CC3(C)C2(C)CC1	InChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3
HMDB38449	6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 9-O-[b-D-Glucopyranosyl-(1-&gt;4)-b-D-xylopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(OC1OC(COC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C30H48O17/c1-12-7-14(32)8-29(3,4)30(12,41)6-5-13(2)44-27-24(39)22(37)19(34)16(46-27)10-42-26-23(38)20(35)17(11-43-26)47-28-25(40)21(36)18(33)15(9-31)45-28/h5-7,13,15-28,31,33-41H,8-11H2,1-4H3/b6-5+
HMDB38448	(-)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone	OC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1	InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2
HMDB38443	1-Isothiocyanato-4-phenylbutane	S=C=NCCCCC1=CC=CC=C1	InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
HMDB38442	1-Isothiocyanato-2-(methylthio)ethane	CSCCN=C=S	InChI=1S/C4H7NS2/c1-7-3-2-5-4-6/h2-3H2,1H3
HMDB38441	1-Isothiocyanato-7-(methylsulfinyl)heptane	CS(=O)CCCCCCCN=C=S	InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3
HMDB38440	1-Isothiocyanato-7-(methylthio)heptane	CSCCCCCCCN=C=S	InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
HMDB38447	1-Isothiocyanato-8-(methylthio)octane	CSCCCCCCCCN=C=S	InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3
HMDB38446	1-Thiocyanato-4-(methylthio)butane	CSCCCCSC#N	InChI=1S/C6H11NS2/c1-8-4-2-3-5-9-6-7/h2-5H2,1H3
HMDB38445	1-Isothiocyanato-2-phenylethane	S=C=NCCC1=CC=CC=C1	InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
HMDB38444	1-Isothiocyanato-3-phenylpropane	S=C=NCCCC1=CC=CC=C1	InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
HMDB49542	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,31-32,38,41,47,50,59H,4-13,15,18,20,22,27,29-30,33-37,39-40,42-46,48-49,51-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,41-38-,50-47-
HMDB49543	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,38-39,42,48,51,60H,4-15,18,22-23,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-
HMDB49544	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB49540	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,31-32,34,38,41,47,50,59H,4-15,17-18,22,26-27,30,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,41-38-,50-47-
HMDB49541	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30-32,37-38,40-41,46,49,58H,4-15,18,22-23,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-
HMDB49546	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,40-41,43-44,50,53,62H,4-15,18,22-23,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-
HMDB49547	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-15,18,22-23,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-
HMDB09485	PE(22:0/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40,44H2,1-2H3,(H,47,48)/b16-14-/t41-/m1/s1
HMDB49545	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33,35,41,44,50,53,62H,4-15,18,22-23,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB09484	PE(22:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1
HMDB50043	TG(18:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,31,33,35,41,44,57H,4-13,15-16,18-22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB09489	PE(22:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,43H,3-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-/t43-/m1/s1
HMDB59499	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66,70,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-53,56,60,62-65,67-69,71-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-/t88?,89-,90-/m1/s1
HMDB59498	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,53-54,56-58,60,65,69,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-52,55,59,61-64,66-68,70-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-/t87?,88-,89-/m1/s1
HMDB37008	6,8-Epoxy-p-menth-2-ene	CC1C=CC2CC1OC2(C)C	InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4-5,7-9H,6H2,1-3H3
HMDB37009	Terpinolene oxide	CC1=CCC2(CC1)OC2(C)C	InChI=1S/C10H16O/c1-8-4-6-10(7-5-8)9(2,3)11-10/h4H,5-7H2,1-3H3
HMDB37002	Mozambioside	CC12CC(=O)C3=C(C=CO3)C1CCC13CC(CC(OC4OC(CO)C(O)C(O)C4O)C21)C(O)(CO)C3	InChI=1S/C26H36O10/c1-24-8-15(29)21-13(3-5-34-21)14(24)2-4-25-7-12(26(33,10-25)11-28)6-16(22(24)25)35-23-20(32)19(31)18(30)17(9-27)36-23/h3,5,12,14,16-20,22-23,27-28,30-33H,2,4,6-11H2,1H3
HMDB37003	Cafamarine	OCC1OC(OCC2(O)CC34CC2CCC3C2(CO)CC(=O)C3=C(C=CO3)C2CC4)C(O)C(O)C1O	InChI=1S/C26H36O10/c27-9-17-19(30)20(31)21(32)23(36-17)35-12-26(33)10-24-5-3-15-14-4-6-34-22(14)16(29)8-25(15,11-28)18(24)2-1-13(26)7-24/h4,6,13,15,17-21,23,27-28,30-33H,1-3,5,7-12H2
HMDB37000	alpha-Turmerone	CC(CC(=O)C=C(C)C)C1CC=C(C)C=C1	InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-7,9,13-14H,8,10H2,1-4H3
HMDB37001	Santene hydrate	CC1C2CCC(C2)C1(C)O	InChI=1S/C9H16O/c1-6-7-3-4-8(5-7)9(6,2)10/h6-8,10H,3-5H2,1-2H3
HMDB37006	cis-Isopulegone	CC(=C)C1CCC(CO)CC1	InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h9-11H,1,3-7H2,2H3
HMDB37007	p-Menth-1-en-9-ol	CC(CO)C1CCC(C)=CC1	InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3
HMDB37004	Gibberellin A77	CC12CCCC3(OC1=O)C1CC(O)C4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)11(20)6-10(17)19-5-3-4-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)
HMDB37005	(1alpha,4alpha,5beta,6alpha,11betaH)-1,4-Epoxy-5-hydroxy-10(14)-germacren-12,6-olide	CC1C2CCC(=C)C3CCC(C)(O3)C(O)C2OC1=O	InChI=1S/C15H22O4/c1-8-4-5-10-9(2)14(17)18-12(10)13(16)15(3)7-6-11(8)19-15/h9-13,16H,1,4-7H2,2-3H3
HMDB52861	TG(18:3(6Z,9Z,12Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,34,36,53H,4-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,36-34-
HMDB52860	TG(18:3(6Z,9Z,12Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h13,16-17,20,22,25-26,28,33,35,52H,4-12,14-15,18-19,21,23-24,27,29-32,34,36-51H2,1-3H3/b16-13-,20-17-,25-22-,28-26-,35-33-
HMDB52863	TG(18:3(6Z,9Z,12Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,36,38,55H,4-15,18,21-24,28-30,32-35,37,39-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,38-36-
HMDB52862	TG(18:3(6Z,9Z,12Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,34,36-37,40,53H,4-15,18,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-
HMDB52865	TG(18:3(6Z,9Z,12Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,36-38,42,45,55H,4-15,18,21-24,28,32-33,35,39-41,43-44,46-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-,45-42-
HMDB52864	TG(18:3(6Z,9Z,12Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,36-38,55H,4-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-
HMDB52867	TG(18:3(6Z,9Z,12Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,32-35,51H,4-6,8-9,11-15,18,21-24,29-31,36-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-32-,35-33-
HMDB52866	TG(18:3(6Z,9Z,12Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,33,35,51H,4-6,8-9,11-15,18,21-24,29-32,34,36-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,35-33-
HMDB52869	TG(18:3(6Z,9Z,12Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,34,36-37,40,53H,4-6,8-9,11-15,18,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-
HMDB52868	TG(18:3(6Z,9Z,12Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,34,36,53H,4-6,8-9,11-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-
HMDB49548	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37,40,46,49,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,49-46-
HMDB49549	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37-38,40-41,46,49,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-
HMDB49973	TG(18:1(9Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,36,40,43,49,52,62H,4-15,17-18,20-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-
HMDB49972	TG(18:1(9Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32,34,36,40,43,62H,4-15,17-18,20-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,36-27-,43-40-
HMDB49971	TG(18:1(9Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,36,62H,4-15,17-18,20-24,30-35,37-61H2,1-3H3/b19-16-,28-25-,29-26-,36-27-
HMDB49970	TG(18:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34-35,38,44,47,60H,4-16,18-19,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB49977	TG(18:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,38,44,47,60H,4-7,9-10,12-16,18-19,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB49976	TG(18:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,38,60H,4-7,9-10,12-16,18-19,21-24,30-33,36-37,39-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,38-35-
HMDB49975	TG(18:1(9Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,32-33,38,41,58H,4-7,9-10,12-16,18-19,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,33-27-,41-38-
HMDB49974	TG(18:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,32-33,58H,4-7,9-10,12-16,18-19,21-24,29-31,34-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,33-27-
HMDB49979	TG(18:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-
HMDB49978	TG(18:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32,34,36,40,43,62H,4-6,8-9,11-15,17-18,20-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,36-27-,43-40-
HMDB47272	TG(24:0/20:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,62H,4-20,22-23,25,27-28,30-61H2,1-3H3/b24-21-,29-26-
HMDB02140	Pteroyl-D-glutamic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1	InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1
HMDB47273	TG(24:0/20:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,62H,4-25,28,30-35,37-61H2,1-3H3/b29-26-,36-27-
HMDB55309	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,54H,4-6,13-15,22-24,31-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
HMDB48287	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,34,37,52H,4-7,9-10,12-14,21-23,27,31-33,35-36,38-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-
HMDB48285	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,31-32,34-35,50H,4-7,9-10,12-14,21-23,28-30,33,36-49H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-
HMDB48282	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,36,39,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-,39-36-
HMDB47270	TG(24:0/20:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,58H,4-14,16-17,19-24,26,28-57H2,1-3H3/b18-15-,27-25-
HMDB47271	TG(24:0/20:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-
HMDB47138	TG(24:0/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,49,52,66H,4-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,30-27-,43-40-,52-49-
HMDB55307	TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-6,8,11,13-15,22-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-
HMDB47276	TG(24:0/20:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,66H,4-25,28,31-65H2,1-3H3/b29-26-,30-27-
HMDB55306	TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-41,43-44,50,53,62H,4-6,8,11,13-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-
HMDB53099	TG(18:3(6Z,9Z,12Z)/20:3n6/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-34,36-38,41,58H,4-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-
HMDB53098	TG(18:3(6Z,9Z,12Z)/20:3n6/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31,33,36-37,40,57H,4-13,15,20,22,24,29-30,32,34-35,38-39,41-56H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-
HMDB48062	TG(14:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-
HMDB53092	TG(18:3(6Z,9Z,12Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31,33,35,37,40,57H,4-6,8-9,11-13,15,20,22,24,29-30,32,34,36,38-39,41-56H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-
HMDB53091	TG(18:3(6Z,9Z,12Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,13,16-18,20-22,25-27,29-30,35-36,38-39,55H,4-7,9-10,12,14-15,19,23-24,28,31-34,37,40-54H2,1-3H3/b11-8-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-,39-36-
HMDB33934	beta-Sitostenone	CC[C@H](CC[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24?,25?,26?,27?,28+,29-/m1/s1
HMDB53097	TG(18:3(6Z,9Z,12Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-32,35-37,39-40,56H,4-15,22-24,29,33-34,38,41-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-
HMDB53096	TG(18:3(6Z,9Z,12Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,18,21-22,25,27,30,36,39,56H,4-12,14-15,17,19-20,23-24,26,28-29,31-35,37-38,40-55H2,1-3H3/b16-13-,21-18-,25-22-,30-27-,39-36-
HMDB53095	TG(18:3(6Z,9Z,12Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31-33,37,39-40,42,46,49,59H,4-6,8-9,11-13,15,20,22,24,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB53094	TG(18:3(6Z,9Z,12Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31-33,37,39-40,42,59H,4-6,8-9,11-13,15,20,22,24,29-30,34-36,38,41,43-58H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB47277	TG(24:0/20:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,68H,4-24,26,29,31-67H2,1-3H3/b28-25-,30-27-
HMDB15702	Ticagrelor	CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1	InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
HMDB15705	Ivacaftor	CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C	InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)
HMDB15704	Tafluprost	CC(C)OC(=O)CCC\C([H])=C(\[H])C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C([H])=C(/[H])C(F)(F)COC1=CC=CC=C1	InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1
HMDB48063	TG(14:1(9Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,37,40,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-36,38-39,41-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-,40-37-
HMDB47274	TG(24:0/20:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,64H,4-25,28,31-63H2,1-3H3/b29-26-,30-27-
HMDB56573	CL(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,26,28-30,32,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1
HMDB56572	CL(16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,27,29-31,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB56571	CL(16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,27,29-31,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56570	CL(16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,26,29-30,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB48060	TG(14:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-
HMDB56576	CL(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,27,29-31,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1
HMDB56575	CL(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27,29-31,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56574	CL(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,26,29-30,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,32-28-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1
HMDB56579	CL(16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,11-12,15-20,23-24,27,29-31,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56578	CL(16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,26,29-30,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB47275	TG(24:0/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,41,47,50,64H,4-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,30-27-,41-38-,50-47-
HMDB48061	TG(14:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,47,50,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,50-47-
HMDB48066	TG(14:1(9Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,38,41,60H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,41-38-
HMDB48067	TG(14:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,38,41,47,50,60H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,50-47-
HMDB48064	TG(14:1(9Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,34,36,58H,4-7,9-10,12-14,16,19,21-23,28-33,35,37-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,36-34-
HMDB11770	Cer(d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C43H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h41-42,45-46H,3-40H2,1-2H3,(H,44,47)/t41-,42+/m0/s1
HMDB11771	Cer(d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C44H89NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h42-43,46-47H,3-41H2,1-2H3,(H,45,48)/t42-,43+/m0/s1
HMDB11772	Cer(d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,42-43,46-47H,3-16,19-41H2,1-2H3,(H,45,48)/b18-17-/t42-,43+/m0/s1
HMDB11773	Cer(d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC	InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1
HMDB11774	Cer(d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,29,31,34-35,38-39H,3-12,14,16-28,30,32-33H2,1-2H3,(H,37,40)/b15-13-,31-29+/t34-,35+/m0/s1
HMDB11775	Cer(d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39+/m0/s1
HMDB11777	Ganglioside GD1a (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C79H139N3O39/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-45(92)44(82-54(97)29-27-25-23-20-15-13-11-9-7-2)39-110-73-62(103)61(102)66(52(37-87)113-73)116-75-64(105)71(121-79(77(108)109)32-47(94)56(81-42(5)91)69(119-79)58(99)49(96)34-84)67(53(38-88)114-75)117-72-43(30-40(3)89)65(59(100)50(35-85)111-72)115-74-63(104)70(60(101)51(36-86)112-74)120-78(76(106)107)31-46(93)55(80-41(4)90)68(118-78)57(98)48(95)33-83/h43-53,55-75,83-88,92-96,98-105H,6-39H2,1-5H3,(H,80,90)(H,81,91)(H,82,97)(H,106,107)(H,108,109)/t43-,44+,45-,46+,47+,48-,49-,50-,51-,52-,53-,55-,56-,57-,58-,59+,60+,61-,62-,63-,64-,65-,66-,67+,68?,69?,70+,71-,72+,73-,74+,75+,78+,79+/m1/s1
HMDB11778	Ganglioside GD1a (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C81H143N3O39/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-47(94)46(84-56(99)31-29-27-25-23-20-17-15-13-11-9-7-2)41-112-75-64(105)63(104)68(54(39-89)115-75)118-77-66(107)73(123-81(79(110)111)34-49(96)58(83-44(5)93)71(121-81)60(101)51(98)36-86)69(55(40-90)116-77)119-74-45(32-42(3)91)67(61(102)52(37-87)113-74)117-76-65(106)72(62(103)53(38-88)114-76)122-80(78(108)109)33-48(95)57(82-43(4)92)70(120-80)59(100)50(97)35-85/h45-55,57-77,85-90,94-98,100-107H,6-41H2,1-5H3,(H,82,92)(H,83,93)(H,84,99)(H,108,109)(H,110,111)/t45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,55-,57-,58-,59-,60-,61+,62+,63-,64-,65-,66-,67-,68-,69+,70?,71?,72+,73-,74+,75-,76+,77+,80+,81+/m1/s1
HMDB11779	Ganglioside GD1a (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H147N3O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-49(96)48(86-58(101)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-114-77-66(107)65(106)70(56(41-91)117-77)120-79-68(109)75(125-83(81(112)113)36-51(98)60(85-46(5)95)73(123-83)62(103)53(100)38-88)71(57(42-92)118-79)121-76-47(34-44(3)93)69(63(104)54(39-89)115-76)119-78-67(108)74(64(105)55(40-90)116-78)124-82(80(110)111)35-50(97)59(84-45(4)94)72(122-82)61(102)52(99)37-87/h47-57,59-79,87-92,96-100,102-109H,6-43H2,1-5H3,(H,84,94)(H,85,95)(H,86,101)(H,110,111)(H,112,113)/t47-,48+,49-,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64+,65-,66-,67-,68-,69-,70-,71+,72?,73?,74+,75-,76+,77-,78+,79+,82+,83+/m1/s1
HMDB52050	TG(24:1(15Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,35,38,43,46,60H,4-16,18-19,22-23,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,38-35-,46-43-
HMDB52051	TG(24:1(15Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,62H,4-16,18-19,22-23,29-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-
HMDB52052	TG(24:1(15Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,35,40,42,62H,4-16,18-19,22-23,29-32,34,36-39,41,43-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-33-,42-40-
HMDB52053	TG(24:1(15Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,35,40,42,48,51,62H,4-16,18-19,22-23,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-33-,42-40-,51-48-
HMDB52054	TG(24:1(15Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-
HMDB52055	TG(24:1(15Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,38,41,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-,41-38-
HMDB52056	TG(24:1(15Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,35,38,60H,4-7,9-10,12-16,18-19,22-23,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,38-35-
HMDB52057	TG(24:1(15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,35,38,43,46,60H,4-7,9-10,12-16,18-19,22-23,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,38-35-,46-43-
HMDB52058	TG(24:1(15Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,42,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41,43-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,42-40-
HMDB52059	TG(24:1(15Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,42,48,51,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,42-40-,51-48-
HMDB48065	TG(14:1(9Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,34,36,42,45,58H,4-7,9-10,12-14,16,19,21-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,36-34-,45-42-
HMDB55009	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-7,9-10,12-15,18,21-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB52235	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB01124	Trehalose 6-phosphate	OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
HMDB01125	Inositol cyclic phosphate	O[C@H]1[C@H]2OP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1
HMDB01126	Nornicotine	C1CNC(C1)C1=CC=CN=C1	InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
HMDB01127	6-Phosphonoglucono-D-lactone	O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC(=O)[C@@H]1O	InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/t2-,3-,4+,5-/m1/s1
HMDB01120	Dimethylallylpyrophosphate	CC(C)=CCOP(O)(=O)OP(O)(O)=O	InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
HMDB01121	N-Acetyl-D-mannosamine 6-phosphate	CC(=O)N[C@@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1
HMDB01122	N-Methylformamide	CNC=O	InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
HMDB01123	2-Aminobenzoic acid	NC1=CC=CC=C1C(O)=O	InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
HMDB57710	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-69-82(87)95-75-80(101-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)100-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-38,41-43,45,47,53,55,57,59,78-80,85H,5-20,23-24,29-30,35,39-40,44,46,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,41-38-,45-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1
HMDB57711	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-41-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,42-44,46-48,54-56,58-60,79-81,86H,5-20,24,29-31,39-41,45,49-53,57,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,46-42-,47-43-,48-44-,58-54-,59-55-,60-56-/t79?,80-,81-/m1/s1
HMDB57712	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-38,40,43-45,48-50,54,56-57,60-62,66,81-83,88H,5-20,24,29-31,39,41-42,46-47,51-53,55,58-59,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB04339	2-O-Methylcytosine	COC1=NC=CC(N)=N1	InChI=1S/C5H7N3O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8)
HMDB01128	5-Phosphoribosylamine	N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
HMDB01129	N-Acetylmannosamine	[H][C@@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1
HMDB57716	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,40,43,45-46,48-50,52,57-58,60-62,64,81-83,88H,5-20,24,29-31,39,41-42,44,47,51,53-56,59,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,49-45-,50-46-,52-48-,61-57-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB57717	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,62-64,66,68,83-85,90H,5-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-61,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB40004	Menthone 1,3-glyceryl ketal	CC(C)C1CCC(C)CC11OCC(O)CO1	InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-7-11(14)8-16-13/h9-12,14H,4-8H2,1-3H3
HMDB40005	2,3,5-Trimethyl-6-[4-(methylthio)butyl]pyrazine	CSCCCCC1=C(C)N=C(C)C(C)=N1	InChI=1S/C12H20N2S/c1-9-10(2)14-12(11(3)13-9)7-5-6-8-15-4/h5-8H2,1-4H3
HMDB40006	1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1,4-pentanedione	CC(=O)CCC(=O)C1=C(C)C=C2CCCN12	InChI=1S/C13H17NO2/c1-9-8-11-4-3-7-14(11)13(9)12(16)6-5-10(2)15/h8H,3-7H2,1-2H3
HMDB40007	2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine	CC1=CC=C(O1)C1=C(C)C=C2CCCN12	InChI=1S/C13H15NO/c1-9-8-11-4-3-7-14(11)13(9)12-6-5-10(2)15-12/h5-6,8H,3-4,7H2,1-2H3
HMDB40000	2-Methyl-5-propylpyrazine	CCCC1=CN=C(C)C=N1	InChI=1S/C8H12N2/c1-3-4-8-6-9-7(2)5-10-8/h5-6H,3-4H2,1-2H3
HMDB40001	Trimethylpropylpyrazine	CCCC1=C(C)N=C(C)C(C)=N1	InChI=1S/C10H16N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3
HMDB40002	1-(2-Thienyl)-1,2-propanedione	CC(=O)C(=O)C1=CC=CS1	InChI=1S/C7H6O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3
HMDB40003	Methylthio 2-(propanoyloxy)propanoate	CCC(=O)OC(C)C(=O)SC	InChI=1S/C7H12O3S/c1-4-6(8)10-5(2)7(9)11-3/h5H,4H2,1-3H3
HMDB40008	2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde	O=CC1=CC=C2CCCN12	InChI=1S/C8H9NO/c10-6-8-4-3-7-2-1-5-9(7)8/h3-4,6H,1-2,5H2
HMDB40009	4-(2-Furanylmethylene)-3,4-dihydro-2H-pyrrole	C1C\C(=C\C2=CC=CO2)C=N1	InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-7H,3-4H2/b8-6-
HMDB06792	Epimelibiose	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10+,11+,12+/m1/s1
HMDB48404	TG(14:1(9Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,55H,4-14,17,20-23,25,27-54H2,1-3H3/b18-15-,19-16-,26-24-
HMDB06790	Galactosylglycerol	OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4?,5-,6+,7+,8-,9-/m1/s1
HMDB06791	Melibiitol	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C12H24O11/c13-1-4(14)7(16)8(17)5(15)2-22-3-6-9(18)10(19)11(20)12(21)23-6/h4-21H,1-3H2/t4-,5+,6-,7-,8-,9+,10+,11-,12+/m1/s1
HMDB06796	P1,P4-Bis(5'-uridyl) tetraphosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O	InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
HMDB06797	Sorbose 1-phosphate	OC[C@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O	InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6+/m0/s1
HMDB06794	5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate	OC(=O)CCC1C(O)=CC(=NC1=O)C(O)=O	InChI=1S/C9H9NO6/c11-6-3-5(9(15)16)10-8(14)4(6)1-2-7(12)13/h3-4,11H,1-2H2,(H,12,13)(H,15,16)
HMDB53135	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,38,40,43-44,47,60H,4-7,9-10,12-15,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB06798	1,4-b-D-Mannan	OC[C@H]1OC(O[C@H]2[C@H](O)[C@H](O)C(O[C@H]3[C@H](O)[C@H](O)C(O[C@H]4[C@H](O)[C@H](O)C(O[C@H]5[C@H](O)[C@H](O)C(O[C@H]6[C@H](O)[C@H](O)C(O[C@H]7[C@H](O)[C@H](O)C(O[C@H]8[C@H](O)[C@H](O)C(O[C@H]9[C@H](O)[C@H](O)C(O[C@H]%10[C@H](O)[C@H](O)C(O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C60H102O51/c61-1-11-21(71)22(72)33(83)52(94-11)104-43-13(3-63)96-54(35(85)24(43)74)106-45-15(5-65)98-56(37(87)26(45)76)108-47-17(7-67)100-58(39(89)28(47)78)110-49-19(9-69)102-60(41(91)30(49)80)111-50-20(10-70)101-59(40(90)31(50)81)109-48-18(8-68)99-57(38(88)29(48)79)107-46-16(6-66)97-55(36(86)27(46)77)105-44-14(4-64)95-53(34(84)25(44)75)103-42-12(2-62)93-51(92)32(82)23(42)73/h11-92H,1-10H2/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?/m1/s1
HMDB53136	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,40,42-43,45,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-
HMDB53137	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32,34,36,40,42-43,45,49,52,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB53130	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,36,40,42-43,45,62H,4-15,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-
HMDB53131	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32,34,36,40,42-43,45,49,52,62H,4-15,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB53132	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,32-33,39,42,58H,4-7,9-10,12-15,22-24,29-31,34-38,40-41,43-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,42-39-
HMDB53133	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,32-33,38-39,41-42,58H,4-7,9-10,12-15,22-24,29-31,34-37,40,43-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-
HMDB51653	TG(22:1(13Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,68H,4-16,18-19,21-24,31-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-
HMDB51652	TG(22:1(13Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,49,52,66H,4-17,19-20,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB51651	TG(22:1(13Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,66H,4-17,19-20,22-24,31-39,41-42,44-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-
HMDB51650	TG(22:1(13Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,65H,4-14,16-17,19-23,30-64H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB43475	TG(15:0/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,52H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-51H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-
HMDB51656	TG(22:1(13Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-
HMDB51655	TG(22:1(13Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36,39,45,48,54,57,68H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB51654	TG(22:1(13Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36,39,45,48,68H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51659	TG(22:1(13Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB51658	TG(22:1(13Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,66H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB09313	PE(20:2(11Z,14Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,38,42H,3-10,12,14-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,38-35-/t42-/m1/s1
HMDB09312	PE(20:2(11Z,14Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,33,36,40H,3-10,12,14-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,36-33-/t40-/m1/s1
HMDB09311	PE(20:2(11Z,14Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47H,3-11,13,15-16,21-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t47-/m1/s1
HMDB09310	PE(20:2(11Z,14Z)/24:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47H,3-11,13,15-17,19,21-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-/t47-/m1/s1
HMDB09317	PE(20:3(5Z,8Z,11Z)/14:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,16-17,19-20,23,25,37H,3-9,11,13-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b12-10-,17-16-,20-19-,25-23-/t37-/m1/s1
HMDB09316	PE(20:3(5Z,8Z,11Z)/14:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h16-17,19-20,23,25,37H,3-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b17-16-,20-19-,25-23-/t37-/m1/s1
HMDB09315	PE(20:2(11Z,14Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,38,42H,3-10,12,14-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,38-35-/t42-/m1/s1
HMDB09314	PE(20:2(11Z,14Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,35,38,42H,3-10,12,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,38-35-/t42-/m1/s1
HMDB09319	PE(20:3(5Z,8Z,11Z)/16:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,20,22,25,27,39H,3-16,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b18-17-,22-20-,27-25-/t39-/m1/s1
HMDB09318	PE(20:3(5Z,8Z,11Z)/15:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,20-21,24,26,38H,3-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b18-17-,21-20-,26-24-/t38-/m1/s1
HMDB35958	Saponin E	CC1OC(OC2C(O)C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CCC(C4OC4(C)CC(O)C=C(C)C)C54COC(=O)C4)C3(C)C)C2O)C(O)C(O)C1O	InChI=1S/C42H68O14/c1-20(2)15-22(44)16-41(8)35(56-41)23-9-10-26-39(6)13-12-27(38(4,5)25(39)11-14-40(26,7)42(23)17-28(45)51-19-42)54-37-33(50)34(30(47)24(18-43)53-37)55-36-32(49)31(48)29(46)21(3)52-36/h15,21-27,29-37,43-44,46-50H,9-14,16-19H2,1-8H3
HMDB35959	Persenone B	CCCCCCCCCCCCCCC\C=C\C(=O)CC(O)COC(C)=O	InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h17-18,23,26H,3-16,19-20H2,1-2H3/b18-17+
HMDB35956	Lumequoylacetone	CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCC(=O)CC(C)=O	InChI=1S/C33H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33(35)31-32(2)34/h10-11H,3-9,12-31H2,1-2H3/b11-10-
HMDB35957	Hovenolactone	CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1	InChI=1S/C30H48O5/c1-18(2)14-19(31)15-29(7)25(35-29)20-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)30(20)16-24(33)34-17-30/h14,19-23,25,31-32H,8-13,15-17H2,1-7H3
HMDB35954	(1R*,3R*,6S*)-3-Caranol	CC1(C)C2CCC(C)(O)CC12	InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3
HMDB35955	(1R*,2S*,3S*,6S*)-2-Caranol	CC1CCC2C(C1O)C2(C)C	InChI=1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3
HMDB35952	Ximenoylacetone	CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(=O)CC(C)=O	InChI=1S/C29H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(31)27-28(2)30/h10-11H,3-9,12-27H2,1-2H3/b11-10-
HMDB35953	(Z)-22-Hentriacontene-2,4-dione	CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCC(=O)CC(C)=O	InChI=1S/C31H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11H,3-9,12-29H2,1-2H3/b11-10-
HMDB35950	Nervonoylacetone	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)CC(C)=O	InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10-
HMDB35951	Erucoylacetone	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)CC(C)=O	InChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h10-11H,3-9,12-23H2,1-2H3/b11-10-
HMDB53879	TG(20:3n6/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-
HMDB53878	TG(20:3n6/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-
HMDB02472	(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid	[H][C@@]12CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C32H51NO12/c1-14(4-7-22(36)33-13-23(37)38)17-5-6-18-24-19(12-21(35)32(17,18)3)31(2)9-8-16(10-15(31)11-20(24)34)44-30-27(41)25(39)26(40)28(45-30)29(42)43/h14-21,24-28,30,34-35,39-41H,4-13H2,1-3H3,(H,33,36)(H,37,38)(H,42,43)/t14-,15+,16-,17?,18+,19+,20-,21+,24+,25+,26+,27-,28+,30-,31+,32-/m1/s1
HMDB53871	TG(20:3n6/20:3n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,38-39,41,62H,4-15,22-24,31-35,37,40,42-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-
HMDB53870	TG(20:3n6/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43,46,60H,4-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-
HMDB53873	TG(20:3n6/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,49,52,62H,4-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-
HMDB53872	TG(20:3n6/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,62H,4-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-
HMDB53875	TG(20:3n6/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-38,41,58H,4-8,10-11,13-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-
HMDB53874	TG(20:3n6/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-37,58H,4-8,10-11,13-15,22-24,30-31,35,38-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-
HMDB53877	TG(20:3n6/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43,46,60H,4-6,8-9,11-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-
HMDB53876	TG(20:3n6/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,60H,4-6,8-9,11-15,22-24,31-33,40-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB41757	Isorhamnetin 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2OC([H])([H])[H])C2=C(O[H])C(=O)C3=C(O[H])C([H])=C(O[H])C([H])=C3O2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C22H20O13/c1-32-11-4-7(19-16(27)14(25)13-9(24)5-8(23)6-12(13)33-19)2-3-10(11)34-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)/t15-,17-,18+,20-,22+/m0/s1
HMDB41756	Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate	[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])(O[H])C(=O)OC([H])(C([H])([H])[H])C([H])([H])[H]	InChI=1S/C12H16O5/c1-7(2)17-12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11,13-15H,6H2,1-2H3
HMDB41755	Isopeonidin 3-xyloside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C21H20O10/c1-28-14-3-2-9(4-13(14)25)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-12(24)5-10(23)6-15(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18+,19-,21-/m1/s1
HMDB41754	Isopeonidin 3-sambubioside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C27H30O15/c1-37-16-3-2-10(4-14(16)31)24-18(7-12-13(30)5-11(29)6-17(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m1/s1
HMDB41753	Isopeonidin 3-rutinoside	[H]OC1=C([H])C2=C(C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]2)C2=C([H])C([H])=C(OC([H])([H])[H])C(O[H])=C2[H])C(O[H])=C1[H]	InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-14(30)6-12(29)7-17(13)41-26(18)11-3-4-16(38-2)15(31)5-11/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1
HMDB41752	Isopeonidin 3-glucoside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
HMDB41751	Isopeonidin 3-galactoside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18+,19+,20-,22-/m1/s1
HMDB41750	Isopeonidin 3-arabinoside	[H]OC1=C([H])C2=[O+]C(=C(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C21H20O10/c1-28-14-3-2-9(4-13(14)25)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-12(24)5-10(23)6-15(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18-,19+,21+/m1/s1
HMDB49560	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,35,60H,4-8,10-11,13-17,19,22,24,26,29-34,36-59H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-
HMDB49561	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27-28,30-31,55H,4-8,10-11,13-17,24-26,29,32-54H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-,31-28-
HMDB49562	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30,34,37,54H,4-8,10-11,13-15,17,22,24,26,29,31-33,35-36,38-53H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-
HMDB49563	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,20-23,25,27,30,55H,4-8,10-11,14-15,17,19,24,26,28-29,31-54H2,1-3H3/b12-9-,16-13-,21-18-,23-20-,25-22-,30-27-
HMDB49564	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31-32,34,56H,4-8,10-11,13-15,17,22,24,26,29-30,33,35-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-
HMDB49565	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31-32,34,40,43,56H,4-8,10-11,13-15,17,22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,43-40-
HMDB41759	Naringenin 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2[H])C2([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C(=O)C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1
HMDB41758	Melanettin	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)OC2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C12	InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
HMDB07445	DG(20:3(5Z,8Z,11Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,20-21,24,26,36,39H,3-16,19,22-23,25,27-35H2,1-2H3/b18-17-,21-20-,26-24-/t36-/m0/s1
HMDB07444	DG(20:3(5Z,8Z,11Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,16-17,19-20,23,25,35,38H,3-9,11,13-15,18,21-22,24,26-34H2,1-2H3/b12-10-,17-16-,20-19-,25-23-/t35-/m0/s1
HMDB07447	DG(20:3(5Z,8Z,11Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,25,27,37,40H,3-13,15,19,21,23-24,26,28-36H2,1-2H3/b16-14-,18-17-,22-20-,27-25-/t37-/m0/s1
HMDB07446	DG(20:3(5Z,8Z,11Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,20,22,25,27,37,40H,3-16,19,21,23-24,26,28-36H2,1-2H3/b18-17-,22-20-,27-25-/t37-/m0/s1
HMDB07441	DG(20:2(11Z,14Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45,48H,3-11,13,15-17,19,21-44H2,1-2H3/b14-12-,20-18-/t45-/m0/s1
HMDB07440	DG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,28,30,34,36,43,46H,3-4,6,8-10,15-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m0/s1
HMDB07443	DG(20:3(5Z,8Z,11Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h16-17,19-20,23,25,35,38H,3-15,18,21-22,24,26-34H2,1-2H3/b17-16-,20-19-,25-23-/t35-/m0/s1
HMDB07442	DG(20:2(11Z,14Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45,48H,3-11,13,15-16,21-44H2,1-2H3/b14-12-,19-17-,20-18-/t45-/m0/s1
HMDB12942	Estrone-3,4-quinone	C[C@]12CCC3C(CCC4=C3C=CC(=O)C4=O)C1CCC2=O	InChI=1S/C18H20O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11?,12?,14?,18-/m0/s1
HMDB12943	Fe3+	[Fe+3]	InChI=1S/Fe/q+3
HMDB54061	TG(20:4(5Z,8Z,11Z,14Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,36,38,41-42,45,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-
HMDB12941	Estrone-2,3-quinone	C[C@]12CCC3C(CCC4=CC(=O)C(=O)C=C34)C1CCC2=O	InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11?,12?,14?,18-/m0/s1
HMDB07449	DG(20:3(5Z,8Z,11Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22-23,27,29,39,42H,3-13,15,18,20-21,24-26,28,30-38H2,1-2H3/b16-14-,19-17-,23-22-,29-27-/t39-/m0/s1
HMDB07448	DG(20:3(5Z,8Z,11Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,22-23,27,29,39,42H,3-16,18,20-21,24-26,28,30-38H2,1-2H3/b19-17-,23-22-,29-27-/t39-/m0/s1
HMDB54065	TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB54064	TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-
HMDB02789	Zeaxanthin	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
HMDB02786	Nitrite	[O-]N=O	InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
HMDB05176	Dolichol-20	CC(CCO)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C100H164O/c1-81(2)41-22-42-82(3)43-23-44-83(4)45-24-46-84(5)47-25-48-85(6)49-26-50-86(7)51-27-52-87(8)53-28-54-88(9)55-29-56-89(10)57-30-58-90(11)59-31-60-91(12)61-32-62-92(13)63-33-64-93(14)65-34-66-94(15)67-35-68-95(16)69-36-70-96(17)71-37-72-97(18)73-38-74-98(19)75-39-76-99(20)77-40-78-100(21)79-80-101/h41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,100-101H,22-40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78-80H2,1-21H3/b82-43+,83-45+,84-47+,85-49+,86-51-,87-53+,88-55+,89-57+,90-59+,91-61+,92-63+,93-65+,94-67+,95-69-,96-71+,97-73+,98-75+,99-77+
HMDB05175	Homovanillin	COC1=C(O)C=CC(CC=O)=C1	InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3
HMDB50522	TG(20:1(11Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,38,41,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-37,39-40,42-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,41-38-
HMDB50523	TG(20:1(11Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,60H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-
HMDB50520	TG(20:1(11Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35,40,43,49,52,62H,4-15,17-18,20-24,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,43-40-,52-49-
HMDB50521	TG(20:1(11Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-
HMDB50526	TG(20:1(11Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,43-40-,52-49-
HMDB50527	TG(20:1(11Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,59H,4-24,27,30-58H2,1-3H3/b28-25-,29-26-
HMDB49698	TG(18:1(11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,35,41,44,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-32-,44-41-
HMDB49699	TG(18:1(11Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,37,40,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,40-37-
HMDB49696	TG(18:1(11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,29,35,38,55H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-
HMDB49697	TG(18:1(11Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,35,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33-34,36-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-32-
HMDB49694	TG(18:1(11Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,37,40,46,49,59H,4-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,40-37-,49-46-
HMDB49695	TG(18:1(11Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,29,55H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-54H2,1-3H3/b11-8-,20-17-,24-21-,29-26-
HMDB49692	TG(18:1(11Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,59H,4-15,17-18,20,22-23,26-27,29-58H2,1-3H3/b19-16-,24-21-,28-25-
HMDB49693	TG(18:1(11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,37,40,59H,4-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,40-37-
HMDB49690	TG(18:1(11Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,35,57H,4-15,17-18,20,22-23,26-27,29-31,33-34,36-56H2,1-3H3/b19-16-,24-21-,28-25-,35-32-
HMDB49691	TG(18:1(11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,35,41,44,57H,4-15,17-18,20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,24-21-,28-25-,35-32-,44-41-
HMDB59569	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t92-,93-/m1/s1
HMDB59561	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-8,11-12,15-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59560	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)84-104-91(96)78-74-70-66-62-58-54-50-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-48,51-58,63-70,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,49-50,59-62,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,55-51-,56-52-,57-53-,58-54-,67-63-,68-64-,69-65-,70-66-/t88-,89-/m1/s1
HMDB59563	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59562	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-69,71-72,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66,70,73-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-/t89?,90-,91-/m1/s1
HMDB59565	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,69-70,72-74,76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-68,71,75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,76-72-/t91?,92-,93-/m1/s1
HMDB59564	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,11-12,15-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t92-,93-/m1/s1
HMDB32728	Cubebininolide	COC1=CC(CC2COC(=O)C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC	InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3
HMDB32729	Dulxanthone B	COC1=C(CC=C(C)C)C2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O2)C(O)=C(O)C=C1	InChI=1S/C24H26O6/c1-12(2)6-8-14-19(26)18-20(27)15-10-11-17(25)21(28)24(15)30-23(18)16(22(14)29-5)9-7-13(3)4/h6-7,10-11,25-26,28H,8-9H2,1-5H3
HMDB59567	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69-70,73-74,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,71-72,75-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-/t92-,93-/m1/s1
HMDB32720	Heterophylliin F	OC1C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(OC4=C(C=C(O)C(O)=C4O)C(=O)OC4OC5COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC5C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C4OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C3C(=O)OCC2OC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)109-57-56-34(13-103-62(97)17-7-28(75)42(82)47(87)35(17)36-19(65(100)108-56)9-30(77)43(83)48(36)88)106-68(58(57)110-60(95)15-3-24(71)40(80)25(72)4-15)112-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-18(8-29(76)44(84)49(37)89)64(99)107-55-33(12-102-63(20)98)105-67(53(93)52(55)92)111-61(96)16-5-26(73)41(81)27(74)6-16/h1-11,33-34,52-53,55-58,67-93H,12-13H2
HMDB32721	2-Methyl-1,4-naphthalenediol bis(dihydrogen phosphate)	CC1=C(OP(O)(O)=O)C2=C(C=CC=C2)C(OP(O)(O)=O)=C1	InChI=1S/C11H12O8P2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17)
HMDB32723	Menadiol disulfate	CC1=C(OS(O)(=O)=O)C2=C(C=CC=C2)C(OS(O)(=O)=O)=C1	InChI=1S/C11H10O8S2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H,12,13,14)(H,15,16,17)
HMDB03431	L-Histidinol	N[C@H](CO)CC1=CN=CN1	InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
HMDB32726	Menadiol dibutyrate	CCCC(=O)OC1=CC(C)=C(OC(=O)CCC)C2=C1C=CC=C2	InChI=1S/C19H22O4/c1-4-8-17(20)22-16-12-13(3)19(23-18(21)9-5-2)15-11-7-6-10-14(15)16/h6-7,10-12H,4-5,8-9H2,1-3H3
HMDB32727	4-Methoxy-1-naphthol	COC1=CC=C(O)C2=C1C=CC=C2	InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
HMDB55820	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52,55,66H,4-6,9,12-15,18,21-24,27,30-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB01460	Diethylthiophosphate	CCOP(O)(=S)OCC	InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
HMDB55822	TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,68H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,47,50-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB55823	TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54,57,68H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-
HMDB55824	TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,45-42-
HMDB55825	TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB47348	TG(24:0/24:1(15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,70H,4-25,28,31-69H2,1-3H3/b29-26-,30-27-
HMDB01466	Dimethylaniline-N-oxide	C[N+](C)([O-])C1=CC=CC=C1	InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
HMDB01469	Undecaprenyl diphosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+
HMDB47347	TG(24:0/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,42,45,51,54,68H,4-25,28,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b29-26-,30-27-,45-42-,54-51-
HMDB47344	TG(24:0/24:1(15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,66H,4-20,22-23,25,27-28,30-65H2,1-3H3/b24-21-,29-26-
HMDB47345	TG(24:0/24:1(15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,40,66H,4-25,28,30-39,41-65H2,1-3H3/b29-26-,40-27-
HMDB47342	TG(24:0/24:1(15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,62H,4-14,16-17,19-24,26,28-61H2,1-3H3/b18-15-,27-25-
HMDB47343	TG(24:0/24:1(15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,64H,4-20,22-23,25,27,29-63H2,1-3H3/b24-21-,28-26-
HMDB47340	TG(24:0/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,65H,4-25,27-28,30-64H2,1-3H3/b29-26-
HMDB47341	TG(24:0/24:1(15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C75H144O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,72H,4-26,28-29,31-71H2,1-3H3/b30-27-
HMDB45854	TG(20:0/24:1(15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,63H,4-14,16-17,19-23,26,29-62H2,1-3H3/b18-15-,27-24-,28-25-
HMDB45855	TG(20:0/24:1(15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,38,41,64H,4-16,18-19,21-24,27,30-37,39-40,42-63H2,1-3H3/b20-17-,28-25-,29-26-,41-38-
HMDB45856	TG(20:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,38,41,47,50,64H,4-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,41-38-,50-47-
HMDB45857	TG(20:0/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,66H,4-16,18-19,21-24,27,30-65H2,1-3H3/b20-17-,28-25-,29-26-
HMDB45850	TG(20:0/24:1(15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-
HMDB45851	TG(20:0/24:1(15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,68H,4-24,27,30-67H2,1-3H3/b28-25-,29-26-
HMDB45852	TG(20:0/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,37,63H,4-20,22-23,26-27,29,31-36,38-62H2,1-3H3/b24-21-,28-25-,37-30-
HMDB45853	TG(20:0/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,42,45,62H,4-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,36-27-,45-42-
HMDB45858	TG(20:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,66H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-
HMDB45859	TG(20:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,53,56,66H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-,56-53-
HMDB38609	Gibberellin A1; b-D-Glucopyranosyl ester	CC12C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)OC2=O	InChI=1S/C25H34O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(27)22(2,21(32)36-25)18(25)14(23)19(31)35-20-17(30)16(29)15(28)11(8-26)34-20/h11-18,20,26-30,33H,1,3-9H2,2H3
HMDB38608	Soyasaponin A3	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)66-35-30(54)28(52)23(18-49)63-41(35)67-36-32(56)31(55)34(39(60)61)65-42(36)64-26-12-13-45(5)24(46(26,6)19-50)11-14-48(8)25(45)10-9-21-22-17-43(2,3)37(58)38(59)44(22,4)15-16-47(21,48)7/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)
HMDB38605	Amyl phenylacetate	CCCCCOC(=O)CC1=CC=CC=C1	InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
HMDB38604	Amyl salicylate	CCCCCOC(=O)C1=C(O)C=CC=C1	InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3
HMDB38607	Soyasaponin A2	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O	InChI=1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)
HMDB38606	Soyasaponin A1	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O	InChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)
HMDB38601	Diethyl fumarate	CCOC(=O)\C=C/C(=O)OCC	InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
HMDB38600	Torachrysone 8-glucoside	COC1=CC2=CC(C)=C(C(C)=O)C(O)=C2C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3
HMDB38603	Octyl formate	CCCCCCCCOC=O	InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3
HMDB38602	Octyl acetate	CCCCCCCCOC(C)=O	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
HMDB30478	Aflatoxin GM2	COC1=CC2=C(C3=C1C1=C(C(=O)OCC1)C(=O)O3)C1(O)CCOC1O2	InChI=1S/C17H14O8/c1-21-8-6-9-12(17(20)3-5-23-16(17)24-9)13-10(8)7-2-4-22-14(18)11(7)15(19)25-13/h6,16,20H,2-5H2,1H3
HMDB30479	Aflatoxin M1	[H][C@]12OC=C[C@@]1(O)C1=C(O2)C=C(OC)C2=C1OC(=O)C1=C2CCC1=O	InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1
HMDB30476	Aflatoxin G2a	COC1=CC2=C(C3CC(O)OC3O2)C2=C1C1=C(C(=O)OCC1)C(=O)O2	InChI=1S/C17H14O8/c1-21-8-5-9-12(7-4-10(18)24-17(7)23-9)14-11(8)6-2-3-22-15(19)13(6)16(20)25-14/h5,7,10,17-18H,2-4H2,1H3
HMDB30477	Aflatoxin GM1	COC1=CC2=C(C3=C1C1=C(C(=O)OCC1)C(=O)O3)C1(O)C=COC1O2	InChI=1S/C17H12O8/c1-21-8-6-9-12(17(20)3-5-23-16(17)24-9)13-10(8)7-2-4-22-14(18)11(7)15(19)25-13/h3,5-6,16,20H,2,4H2,1H3
HMDB30474	Aflatoxin G	COC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)OCC1)C(=O)O2	InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3
HMDB30475	Aflatoxin G2	COC1=CC2=C(C3CCOC3O2)C2=C1C1=C(C(=O)OCC1)C(=O)O2	InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3
HMDB30472	4-Ipomeanol	CC(O)CCC(=O)C1=COC=C1	InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3
HMDB30473	1-Ipomeanol	CC(=O)CCC(O)C1=COC=C1	InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-6,9,11H,2-3H2,1H3
HMDB30470	Lindleyin	CC(=O)CCC1=CC=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1	InChI=1S/C23H26O11/c1-11(24)2-3-12-4-6-14(7-5-12)33-23-21(30)20(29)19(28)17(34-23)10-32-22(31)13-8-15(25)18(27)16(26)9-13/h4-9,17,19-21,23,25-30H,2-3,10H2,1H3
HMDB30471	1,4-Ipomeadiol	CC(O)CCC(O)C1=COC=C1	InChI=1S/C9H14O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,9-11H,2-3H2,1H3
HMDB33921	3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one	COC1=CC=C2C=C(C(=O)OC2=C1OC)C(C)(C)C=C	InChI=1S/C16H18O4/c1-6-16(2,3)11-9-10-7-8-12(18-4)14(19-5)13(10)20-15(11)17/h6-9H,1H2,2-5H3
HMDB32702	Zeranol	CC1CCCC(O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1	InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3
HMDB33923	()-erythro-Isoleucine	CCC(C)C(N)C(O)=O	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
HMDB33922	Divinyl sulfide	C=CSC=C	InChI=1S/C4H6S/c1-3-5-4-2/h3-4H,1-2H2
HMDB33925	Oroselone	CC(=C)C1=CC2=C(O1)C=CC1=C2OC(=O)C=C1	InChI=1S/C14H10O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-7H,1H2,2H3
HMDB36736	beta-Patchoulene	CC1CCC2=C1CC1CCC2(C)C1(C)C	InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3
HMDB33927	3-Hydroxymugineic acid	OC(CN1CC(O)C1C(O)=O)C(NCCC(O)C(O)=O)C(O)=O	InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)
HMDB33926	(3xi,6xi)-Cyclo(alanylvalyl)	CC(C)C1NC(=O)C(C)NC1=O	InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)
HMDB33929	Aurasperone A	COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(OC)=C1)C1=C(OC)C2=C(C=C1OC)C=C1OC(C)=CC(=O)C1=C2O	InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3
HMDB33928	()-2'-Hydroxydihydrodaidzein	OC1=CC(O)=C(C=C1)C1COC2=CC(O)=CC=C2C1=O	InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2
HMDB36739	Yuccaol C	COC1=C(O)C=C(\C=C\C2=CC(O)=CC3=C2C2(C(OC4=C2C(O)=CC(O)=C4)C2=CC=C(O)C=C2)C(=O)O3)C=C1O	InChI=1S/C30H22O10/c1-38-27-21(35)8-14(9-22(27)36)2-3-16-10-18(32)12-23-25(16)30(29(37)40-23)26-20(34)11-19(33)13-24(26)39-28(30)15-4-6-17(31)7-5-15/h2-13,28,31-36H,1H3/b3-2+
HMDB36738	Lettucenin A	CC1=C2CCC(=C)C2=C2OC(=O)C(C=O)=C2C=C1	InChI=1S/C15H12O3/c1-8-3-6-11-12(7-16)15(17)18-14(11)13-9(2)4-5-10(8)13/h3,6-7H,2,4-5H2,1H3
HMDB32700	9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; 3-(2-Methylpropanoyl), 8-(3-methylbutanoyl)	CC(C)CC(=O)OCC1(CO1)C1=C(OC(=O)C(C)C)C=C(C)C=C1	InChI=1S/C19H26O5/c1-12(2)8-17(20)22-10-19(11-23-19)15-7-6-14(5)9-16(15)24-18(21)13(3)4/h6-7,9,12-13H,8,10-11H2,1-5H3
HMDB03415	(3R,3'S,6'R)-b,e-Carotene-3,3'-diol	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37+/m0/s1
HMDB55808	TG(22:5(7Z,10Z,13Z,16Z,19Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,45,48,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-44,46-47,49-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-
HMDB32706	(2-Naphthalenyloxy)acetic acid	OC(=O)COC1=CC2=CC=CC=C2C=C1	InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
HMDB39131	5,8-Tetradecadienoic acid; (Z,Z)-form, Et ester	CCCCC\C=C/C\C=C\CCCC(=O)OCC	InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3/b9-8-,12-11+
HMDB35181	xi-8,9-Dehydrotheaspirone	CC1=CCC2(O1)C(C)=CC(=O)CC2(C)C	InChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,7H,6,8H2,1-4H3
HMDB35180	(6E,8E)-4,6,8-Megastigmatriene	C\C=C\C=C1/C(C)=CCCC1(C)C	InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5+,12-9+
HMDB35183	Murisolin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30(36)27-29-26-28(2)40-35(29)39/h26,28,30-34,36-38H,3-25,27H2,1-2H3
HMDB35182	Licoriphenone	COC1=CC(O)=C(CC(=O)C2=C(O)C=C(O)C=C2)C(OC)=C1CC=C(C)C	InChI=1S/C21H24O6/c1-12(2)5-7-15-20(26-3)11-19(25)16(21(15)27-4)10-18(24)14-8-6-13(22)9-17(14)23/h5-6,8-9,11,22-23,25H,7,10H2,1-4H3
HMDB35185	Retinol acetate	CC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+
HMDB35184	Semilicoisoflavone B	CC1(C)OC2=C(C=C1)C=C(C=C2O)C1=COC2=CC(O)=CC(O)=C2C1=O	InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3
HMDB35187	Artonin F	CC(C)=CCC1=C(O)C2=C(OC3=C(CC4C5=C3C(O)=CC(O)=C5OC4(C)C)C2=O)C2=C1OC(C)(C)C=C2	InChI=1S/C30H30O7/c1-13(2)7-8-14-23(33)22-24(34)16-11-17-20-21(18(31)12-19(32)28(20)37-30(17,5)6)27(16)35-26(22)15-9-10-29(3,4)36-25(14)15/h7,9-10,12,17,31-33H,8,11H2,1-6H3
HMDB35186	Artonin E	CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=CC(O)=C(O)C=C1O	InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3
HMDB35189	Fasciculol E	COC(=O)CNCC(=O)CC(O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C1(C)C	InChI=1S/C39H65NO11/c1-35(2)29-11-10-26-27(17-31(46)39(7)25(13-14-38(26,39)6)22(21-41)9-12-30(45)36(3,4)49)37(29,5)18-28(44)34(35)51-32(47)16-23(42)15-24(43)19-40-20-33(48)50-8/h22-23,25,28-31,34,40-42,44-46,49H,9-21H2,1-8H3
HMDB35188	Fasciculol F	COC(=O)CNC(=O)CC(C)(O)CC(=O)OC1CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C(C)(C)C1O	InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(43)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(42)35(3,4)48)37(27,6)17-26(33(34)47)51-31(45)19-36(5,49)18-30(44)40-20-32(46)50-9/h22-23,26-29,33,41-43,47-49H,10-21H2,1-9H3,(H,40,44)
HMDB03411	D-Proline	OC(=O)[C@H]1CCCN1	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
HMDB01229	Dopaquinone	N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O	InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1
HMDB47320	TG(24:0/22:1(13Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,64H,4-20,22-23,25,27-28,30-63H2,1-3H3/b24-21-,29-26-
HMDB56038	DG(18:0/0:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3
HMDB01228	L-Glutamic acid 5-phosphate	N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O	InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1
HMDB55809	TG(22:5(7Z,10Z,13Z,16Z,19Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-
HMDB55803	TG(20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,9,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB56032	DG(16:0/0:0/20:4n3)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,37,40H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-
HMDB56033	DG(16:0/0:0/20:5n3)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-,28-26-
HMDB56030	DG(16:0/0:0/18:3n3)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38H,3-4,6,8-10,12,14-16,19-34H2,1-2H3/b7-5-,13-11-,18-17-
HMDB56031	DG(16:0/0:0/18:4n3)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,22,24,35,38H,3-4,6,8-10,12,14-16,19-21,23,25-34H2,1-2H3/b7-5-,13-11-,18-17-,24-22-
HMDB56036	DG(18:0/0:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3
HMDB32708	1-Naphthaleneacetic acid	OC(=O)CC1=CC=CC2=C1C=CC=C2	InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
HMDB56034	DG(16:0/0:0/22:5n3)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-
HMDB56035	DG(16:0/0:0/22:6n3)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-
HMDB58034	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB13845	SR 49498	CCCCC(=O)NC1(CCCC1)C(=O)NCC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1	InChI=1S/C25H30N6O2/c1-2-3-10-22(32)27-25(15-6-7-16-25)24(33)26-17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-28-30-31-29-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31)
HMDB13846	E-3179	CCCCC1=NC(Cl)=C(C=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1	InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
HMDB01480	3-Dehydrosphinganine	CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1
HMDB13840	3-Hydroxymethylantipyrine	CN1N(C(=O)C=C1CO)C1=CC=CC=C1	InChI=1S/C11H12N2O2/c1-12-10(8-14)7-11(15)13(12)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
HMDB58031	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,37-38,40-41,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB13842	O-Deethylated candesartan	OC(=O)C1=C2N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C(O)=NC2=CC=C1	InChI=1S/C22H16N6O3/c29-21(30)17-6-3-7-18-19(17)28(22(31)23-18)12-13-8-10-14(11-9-13)15-4-1-2-5-16(15)20-24-26-27-25-20/h1-11H,12H2,(H,23,31)(H,29,30)(H,24,25,26,27)
HMDB13843	Candesartan N2-glucuronide	[H]C1(O)[C@]([H])(O)C([H])(O[C@@]([H])(C(O)=O)C1([H])O)N1N=NN=C1C1=CC=CC=C1C1=CC=C(CN2C(OCC)=NC3=CC=CC(C(O)=O)=C23)C=C1	InChI=1S/C30H28N6O9/c1-2-44-30-31-20-9-5-8-19(28(40)41)21(20)35(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-33-34-36(26)27-24(39)22(37)23(38)25(45-27)29(42)43/h3-13,22-25,27,37-39H,2,14H2,1H3,(H,40,41)(H,42,43)/t22?,23?,24-,25+,27?/m0/s1
HMDB01487	NADH	NC(=O)C1=CN(C=CC1)C1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C(N)N=CN=C23)C(O)C1O	InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)
HMDB13848	4-Hydroxyvalsartan	CC(O)CCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)[C@@H](C(C)C)C(O)=O	InChI=1S/C24H29N5O4/c1-15(2)22(24(32)33)29(21(31)13-8-16(3)30)14-17-9-11-18(12-10-17)19-6-4-5-7-20(19)23-25-27-28-26-23/h4-7,9-12,15-16,22,30H,8,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28)/t16?,22-/m0/s1
HMDB58039	CL(18:1(11Z)/18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-20,22-24,28-29,32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB47325	TG(24:0/22:1(13Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,70H,4-24,26,29,31-69H2,1-3H3/b28-25-,30-27-
HMDB01485	Octane	CCCCCCCC	InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
HMDB09878	PI(20:2(11Z,14Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,41,44-49,52-56H,3-10,15-16,21-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,20-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09879	PI(20:3(5Z,8Z,11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,20,22,25,27,37,40-45,48-52H,3-16,19,21,23-24,26,28-36H2,1-2H3,(H,53,54)/b18-17-,22-20-,27-25-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09876	PI(20:2(11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42-47,50-54H,3-10,12,14-16,18,20-38H2,1-2H3,(H,55,56)/b13-11-,19-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09877	PI(20:2(11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,39,42-47,50-54H,3-10,15-16,20,22-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09874	PI(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,41,44-49,52-56H,3-5,7,9-11,13,15-16,21-23,25,27-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,19-17-,20-18-,26-24-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB01484	Acetoacetyl-CoA	CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1
HMDB09872	PI(20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,39,42-47,50-54H,3-11,13,15-16,20,22-38H2,1-2H3,(H,55,56)/b14-12-,19-17-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09873	PI(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,41,44-49,52-56H,3-11,13,15-16,21-23,25,27-29,31,33-40H2,1-2H3,(H,57,58)/b14-12-,19-17-,20-18-,26-24-,32-30-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09870	PI(20:1(11Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42-47,50-54H,3-13,15,18,20-38H2,1-2H3,(H,55,56)/b16-14-,19-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09871	PI(20:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17-19,21,39,42-47,50-54H,3-16,20,22-38H2,1-2H3,(H,55,56)/b19-17-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB30298	3,6,10-Trimethyltetradecane	CCCCC(C)CCCC(C)CCC(C)CC	InChI=1S/C17H36/c1-6-8-10-16(4)11-9-12-17(5)14-13-15(3)7-2/h15-17H,6-14H2,1-5H3
HMDB30299	Cibulins	CCCSO	InChI=1S/C3H8OS/c1-2-3-5-4/h4H,2-3H2,1H3
HMDB30292	Trieleostearin	CCCC\C=C\C=C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C/CCCC)OC(=O)CCCCCCC\C=C/C=C/C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-30,54H,4-12,31-53H2,1-3H3/b16-13+,17-14+,18-15+,22-19+,23-20+,24-21+,28-25-,29-26-,30-27-
HMDB30293	(E)-1-O-Cinnamoyl-beta-D-glucose	OCC1OC(OC(=O)\C=C\C2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+
HMDB30290	Cuscohygrine	CN1CCCC1CC(=O)CC1CCCN1C	InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3
HMDB30291	Daphniphylline	CC(C)C1CCC2(C)C3CCC45CCCC4C2(CC(OC(C)=O)C(=O)C2(C)COC4(C)CCC2O4)C1N5C3	InChI=1S/C32H49NO5/c1-19(2)22-10-13-29(5)21-9-15-31-12-7-8-24(31)32(29,26(22)33(31)17-21)16-23(37-20(3)34)27(35)28(4)18-36-30(6)14-11-25(28)38-30/h19,21-26H,7-18H2,1-6H3
HMDB30296	()-2-Nonylheneicosanal	CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)C=O	InChI=1S/C30H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-30(29-31)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3
HMDB30297	5-Propyltridecane	CCCCCCCCC(CCC)CCCC	InChI=1S/C16H34/c1-4-7-9-10-11-12-15-16(13-6-3)14-8-5-2/h16H,4-15H2,1-3H3
HMDB30294	1-O-Cinnamoylglucose; b-D-(E)-form, 6-O-a-L-Arabinofuranosyl	OCC1OC(OCC2OC(OC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+
HMDB30295	1-O-Cinnamoyl-beta-D-gentiobiose	OCC1OC(OCC2OC(OC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C21H28O12/c22-8-11-14(24)16(26)18(28)20(31-11)30-9-12-15(25)17(27)19(29)21(32-12)33-13(23)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-22,24-29H,8-9H2/b7-6+
HMDB51678	TG(22:1(13Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33,35,37,40,43,49,52,63H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,34,36,38-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,37-30-,43-40-,52-49-
HMDB40709	10-Eicosene	CCCCCCCCC\C=C\CCCCCCCCC	InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/b20-19+
HMDB40708	Parviflorin	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3
HMDB45559	TG(20:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-
HMDB45558	TG(20:0/18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-
HMDB57239	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,45,49-50,54,57,61,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46-48,51-53,55-56,58-60,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,49-45-,54-50-,61-57-/t81?,82-,83-/m1/s1
HMDB57238	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,40,42,45,49-50,54,57,61-62,66,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-44,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB45555	TG(20:0/18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB45554	TG(20:0/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB45557	TG(20:0/18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB45556	TG(20:0/18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB00428	3-Hydroxyglutaric acid	OC(CC(O)=O)CC(O)=O	InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
HMDB45551	TG(20:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,39,42,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-,42-39-
HMDB00429	17a-Estradiol	[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
HMDB45550	TG(20:0/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-
HMDB00426	Citramalic acid	CC(O)(CC(O)=O)C(O)=O	InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)
HMDB37129	Sanchinoside B1	C\C(=C/CCC(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H62O9/c1-19(10-9-13-32(2,3)43)20-11-15-35(7)26(20)21(38)16-24-34(6)14-12-25(39)33(4,5)30(34)22(17-36(24,35)8)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/b19-10+
HMDB37128	Succinic acid, 8CI; Di-Na salt	[Na+].[Na+].[O-]C(=O)CCC([O-])=O	InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
HMDB00427	3b,7b,12a-Trihydroxy-5a-Cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1
HMDB37125	Pisumoside B	CC12CCCC(C)(C1C(O)C(O)C13CC(CO)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3
HMDB37124	Goyaglycoside f	CC(CC(OC1OC(CO)C(O)C(O)C1O)C=C(C)C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C	InChI=1S/C42H68O13/c1-21(2)16-23(52-36-34(49)32(47)30(45)25(18-43)53-36)17-22(3)24-10-12-40(7)27-11-13-42-28(41(27,20-51-42)15-14-39(24,40)6)8-9-29(38(42,4)5)55-37-35(50)33(48)31(46)26(19-44)54-37/h11,13,16,22-37,43-50H,8-10,12,14-15,17-20H2,1-7H3
HMDB37127	9-Octadecen-1-ol, 9CI; (Z)-form, Ac	CCCCCCCC\C=C\CCCCCCCCOC(C)=O	InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10+
HMDB40704	Allodesmosine	NC(CCCCC(CCC(N)C(O)=O)C1=C(CCC(N)C(O)=O)C=[N+](CCCCC(N)C(O)=O)C=C1CCC(N)C(O)=O)C(O)=O	InChI=1S/C30H50N6O10/c31-20(26(37)38)6-2-1-5-17(8-11-22(33)28(41)42)25-18(9-12-23(34)29(43)44)15-36(14-4-3-7-21(32)27(39)40)16-19(25)10-13-24(35)30(45)46/h15-17,20-24H,1-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1
HMDB37121	Prenigroxanthin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(=C)CC(O)CC1(C)C	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,35-36,41-43H,6,25-28H2,1-5,7-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+
HMDB37120	1,3,5-Trichloro-(2-methylsulfonyl)benzene	CS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	InChI=1S/C7H5Cl3O2S/c1-13(11,12)7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
HMDB37123	Goyaglycoside h	CC(C(O)C(O)C(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C	InChI=1S/C42H70O15/c1-19(27(44)32(49)35(52)39(4,5)53)20-13-14-42(8)25-11-9-21-22(40(25,6)15-16-41(20,42)7)10-12-26(38(21,2)3)57-37-34(51)31(48)29(46)24(56-37)18-54-36-33(50)30(47)28(45)23(17-43)55-36/h9,19-20,22-34,36-37,43-51,53H,10-18H2,1-8H3
HMDB37122	Nigroxanthin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(=C)C=CCC1(C)C	InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+
HMDB45879	TG(20:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,31-32,37,40,57H,4-17,19,22,24-26,28,30,33-36,38-39,41-56H2,1-3H3/b21-18-,23-20-,31-27-,32-29-,40-37-
HMDB45876	TG(20:0/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,35,61H,4-20,22-23,26-27,29,31-34,36-60H2,1-3H3/b24-21-,28-25-,35-30-
HMDB45877	TG(20:0/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,37,63H,4-20,22-23,26-27,29,31-36,38-62H2,1-3H3/b24-21-,28-25-,37-30-
HMDB51684	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,33,41,44,59H,4-13,15-16,19-20,22,24,29-32,34-40,42-43,45-58H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,33-27-,44-41-
HMDB45874	TG(20:0/18:2(9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,33,59H,4-20,22-23,26-27,29,31-32,34-58H2,1-3H3/b24-21-,28-25-,33-30-
HMDB51685	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,37,42,45,60H,4-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-
HMDB44930	TG(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30-31,36,39,45,48,58H,4-15,17-18,20,22-23,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,28-25-,31-30-,39-36-,48-45-
HMDB44931	TG(18:0/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,54H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-53H2,1-3H3/b10-7-,19-16-,24-21-,28-25-
HMDB44932	TG(18:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,34,37,54H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,37-34-
HMDB44933	TG(18:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,56H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-
HMDB44934	TG(18:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,43-40-
HMDB44935	TG(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,39-36-
HMDB44936	TG(18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30-31,36,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,39-36-,48-45-
HMDB44937	TG(18:0/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,55H,4-20,22-23,25-54H2,1-3H3/b24-21-
HMDB44938	TG(18:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,54H,4-26,28-29,31-53H2,1-3H3/b30-27-
HMDB45872	TG(20:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,32,57H,4-19,22,25-28,30-31,33-56H2,1-3H3/b23-20-,24-21-,32-29-
HMDB45873	TG(20:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,31-32,57H,4-19,21-22,24-26,28,30,33-56H2,1-3H3/b23-20-,31-27-,32-29-
HMDB51688	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,39,42,44,47,62H,4-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-
HMDB45870	TG(20:0/18:2(9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,29,53H,4-14,16-17,19,21-22,24-26,28,30-52H2,1-3H3/b18-15-,23-20-,29-27-
HMDB14018	4-Hydroxypropofol	CC(C)C1=CC(O)=CC(C(C)C)=C1O	InChI=1S/C12H18O2/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,13-14H,1-4H3
HMDB51689	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB14016	5-Hydroxyketamine	CNC1(CCC(O)CC1=O)C1=CC=CC=C1Cl	InChI=1S/C13H16ClNO2/c1-15-13(7-6-9(16)8-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3
HMDB14017	4-Hydroxyketamine	CNC1(CC(O)CCC1=O)C1=CC=CC=C1Cl	InChI=1S/C13H16ClNO2/c1-15-13(8-9(16)6-7-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3
HMDB45871	TG(20:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,30,55H,4-19,22,25-27,29,31-54H2,1-3H3/b23-20-,24-21-,30-28-
HMDB14012	Omeprazole sulfone	COC1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC1=NC=C(C)C(OC)=C1C	InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
HMDB14013	3-Hydroxyomeprazole	COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1CO	InChI=1S/C17H19N3O4S/c1-10-7-18-15(12(8-21)16(10)24-3)9-25(22)17-19-13-5-4-11(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
HMDB14010	5-Hydroxyomeprazole	COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(CO)C(OC)=C1C	InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
HMDB14011	5'-O-Desmethyl omeprazole	COC1=C(C)C(CS(=O)C2=NC3=C(N2)C=C(O)C=C3)=NC=C1C	InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)
HMDB45087	TG(18:0/18:2(9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,29,32,56H,4-12,14-15,17-19,21,24,26-28,30-31,33-55H2,1-3H3/b16-13-,23-20-,25-22-,32-29-
HMDB11507	LysoPE(18:2(9Z,12Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN	InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1
HMDB45084	TG(18:0/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,36,61H,4-19,21-22,24,26-27,30-35,37-60H2,1-3H3/b23-20-,28-25-,36-29-
HMDB45083	TG(18:0/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,34,59H,4-19,21-22,24,26-27,30-33,35-58H2,1-3H3/b23-20-,28-25-,34-29-
HMDB45082	TG(18:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32-33,35,41,44,57H,4-19,21-22,24,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b23-20-,28-25-,32-29-,35-33-,44-41-
HMDB45080	TG(18:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,22,26,28-29,31,55H,4-18,20-21,23-25,27,30,32-54H2,1-3H3/b22-19-,29-26-,31-28-
HMDB51427	TG(22:1(13Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,32,56H,4-19,21-22,24,26,29-31,33-55H2,1-3H3/b23-20-,27-25-,32-28-
HMDB11505	LysoPE(18:1(11Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCCN	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h7-8,22,25H,2-6,9-21,24H2,1H3,(H,27,28)/b8-7-/t22-/m1/s1
HMDB45088	TG(18:0/18:2(9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,35,57H,4-15,17-18,21-22,24,26-27,30-31,34,36-56H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,35-33-
HMDB51428	TG(22:1(13Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,36,38,55H,4-16,18-19,21-24,28-30,32-35,37,39-54H2,1-3H3/b20-17-,27-25-,31-26-,38-36-
HMDB11504	LysoPE(16:1(9Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCCN	InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/m1/s1
HMDB51429	TG(22:1(13Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,56H,4-13,15-16,18-22,24,28-55H2,1-3H3/b17-14-,26-23-,27-25-
HMDB11503	LysoPE(16:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1
HMDB11502	LysoPE(15:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C20H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21/h19,22H,2-18,21H2,1H3,(H,24,25)/t19-/m1/s1
HMDB55806	TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-
HMDB11501	LysoPE(14:1(9Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCC)COP(O)(=O)OCCN	InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h5-6,18,21H,2-4,7-17,20H2,1H3,(H,23,24)/b6-5-/t18-/m1/s1
HMDB51739	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,40-41,43-44,49,52,64H,4-15,17,20,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB51671	TG(22:1(13Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33,35,37,40,43,63H,4-15,17-18,20,22-23,27,31-32,34,36,38-39,41-42,44-62H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,37-30-,43-40-
HMDB42190	TG(14:0/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB42191	TG(14:0/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h25,28,52H,4-24,26-27,29-51H2,1-3H3/b28-25-
HMDB42192	TG(14:0/20:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-
HMDB42193	TG(14:0/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,30,32,38,41,54H,4-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b26-24-,32-30-,41-38-
HMDB36298	Cyclopassifloic acid E	CC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O	InChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)
HMDB36299	3-O-p-trans-Coumaroylalphitolic acid	CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)C5CCC34C)C12)C(O)=O	InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+
HMDB42196	TG(14:0/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h20,23,27,29,53H,4-19,21-22,24-26,28,30-52H2,1-3H3/b23-20-,29-27-
HMDB42197	TG(14:0/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,33,36,52H,4-16,18-19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b20-17-,28-25-,36-33-
HMDB36294	(E)-2-Glucosyl-3,4',5-trihydroxystilbene	OCC1OC(C(O)C(O)C1O)C1=C(\C=C\C2=CC=C(O)C=C2)C=C(O)C=C1O	InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-11(7-13(23)8-14(16)24)4-1-10-2-5-12(22)6-3-10/h1-8,15,17-27H,9H2/b4-1+
HMDB36295	Cycloartanyl ferulate	COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCCC(C)C)=CC=C1O	InChI=1S/C40H60O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h12-14,17,24,26-27,29,32-34,41H,9-11,15-16,18-23,25H2,1-8H3/b17-13+
HMDB36296	3,14-Dihydroxycard-20(22)-enolide; (3b,5a,14b,17b)-form, 3-O-[b-D-Xylopyranosyl-(1-&gt;2)-a-L-rhamnopyranoside]	CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/C34H52O12/c1-16-25(37)27(39)29(46-30-28(40)26(38)23(35)15-43-30)31(44-16)45-19-6-9-32(2)18(13-19)4-5-22-21(32)7-10-33(3)20(8-11-34(22,33)41)17-12-24(36)42-14-17/h12,16,18-23,25-31,35,37-41H,4-11,13-15H2,1-3H3
HMDB36297	Schidigerasaponin E1	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h18-28,30-41,45-47,49-54H,5-17H2,1-4H3
HMDB36290	Campesteryl brassidate	CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C	InChI=1S/C50H88O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-48(51)52-43-34-36-49(6)42(38-43)30-31-44-46-33-32-45(50(46,7)37-35-47(44)49)41(5)29-28-40(4)39(2)3/h15-16,30,39-41,43-47H,8-14,17-29,31-38H2,1-7H3/b16-15+
HMDB36291	Ergost-5-en-3-ol, 9CI; (3b,24R)-form, O-(6-O-Hexadecanoyl-b-D-glucopyranoside)	CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)C(O)C(O)C1O	InChI=1S/C50H88O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-44(51)55-33-43-45(52)46(53)47(54)48(57-43)56-38-28-30-49(6)37(32-38)24-25-39-41-27-26-40(50(41,7)31-29-42(39)49)36(5)23-22-35(4)34(2)3/h24,34-36,38-43,45-48,52-54H,8-23,25-33H2,1-7H3
HMDB36292	Ergost-5-en-3-ol, 9CI; (3b,24R)-form, O-[6-O-(9Z-Octadecenoyl)-b-D-glucopyranoside]	CCCCCCCC\C=C/CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)C(O)C(O)C1O	InChI=1S/C52H90O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(53)57-35-45-47(54)48(55)49(56)50(59-45)58-40-30-32-51(6)39(34-40)26-27-41-43-29-28-42(52(43,7)33-31-44(41)51)38(5)25-24-37(4)36(2)3/h15-16,26,36-38,40-45,47-50,54-56H,8-14,17-25,27-35H2,1-7H3/b16-15-
HMDB36293	Cholesteryl ferulate	COC1=CC(\C=C\C(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=CC=C1O	InChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-33(38)34(22-26)40-6/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+
HMDB55513	TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H88O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-32,35-37,39-41,44,56H,4-6,13-15,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB49665	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB55804	TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB49664	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,33,35,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB52664	TG(18:2(9Z,12Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-29,32-34,38,41,47,50,60H,4-6,8-9,11-14,17,21-22,26,30-31,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,27-24-,28-25-,33-32-,34-29-,41-38-,50-47-
HMDB55805	TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,44,47,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-
HMDB52662	TG(18:2(9Z,12Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-29,32,34,36,42,45,58H,4-6,8-9,11-14,17,21-22,26,30-31,33,35,37-41,43-44,46-57H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,27-24-,28-25-,32-29-,36-34-,45-42-
HMDB13541	PGP(18:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,41-42,45H,3-10,12,14-16,20,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,19-17-,21-18-,24-22-/t41-,42+/m0/s1
HMDB13540	PGP(18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,41-42,45H,3-16,20,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB13543	PGP(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,43-44,47H,3-10,12,14-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB13542	PGP(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,41-42,45H,3-10,12,14-16,20,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB13545	PGP(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,43-44,47H,3-4,6,8-10,12,14-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB13544	PGP(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,43-44,47H,3-10,12,14-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB13547	PGP(18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41H,3-10,12,14-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,18-17-/t37-,38+/m0/s1
HMDB13546	PGP(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,43-44,47H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB13549	PGP(18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,39-40,43H,3-10,12,14-16,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,19-17-/t39-,40+/m0/s1
HMDB13548	PGP(18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41H,3-10,12,15,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,16-14-,18-17-/t37-,38+/m0/s1
HMDB52485	TG(18:2(9Z,12Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20,23,29,34,60H,4-19,21-22,24-28,30-33,35-59H2,1-3H3/b23-20-,34-29-
HMDB42448	TG(14:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-15,17-18,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB42449	TG(14:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-15,17-18,20-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB46576	TG(22:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB46577	TG(22:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46574	TG(22:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,39-36-,48-45-
HMDB46575	TG(22:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,36,39-40,43,45,48,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB46572	TG(22:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB46573	TG(22:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB46570	TG(22:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-16,18-19,21-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46571	TG(22:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,40,43,49,52,64H,4-15,17-18,20-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,28-25-,30-27-,43-40-,52-49-
HMDB46578	TG(22:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB46579	TG(22:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB52668	TG(18:2(9Z,12Z)/20:3n6/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14,16-17,19,21,23-26,28,30,33-34,37,58H,4-13,15,18,20,22,27,29,31-32,35-36,38-57H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,33-30-,37-34-
HMDB28756	Aspartyl-Isoleucine	CCC(C)C(N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
HMDB52489	TG(18:2(9Z,12Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,37-38,41,63H,4-16,18-19,22-23,25,27-28,31-36,39-40,42-62H2,1-3H3/b20-17-,24-21-,29-26-,37-30-,41-38-
HMDB52488	TG(18:2(9Z,12Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3/h14,17,21,23-24,26,30,37,62H,4-13,15-16,18-20,22,25,27-29,31-36,38-61H2,1-3H3/b17-14-,24-21-,26-23-,37-30-
HMDB43719	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,38,44,47,59H,4-7,9-10,12-16,18-19,21-25,27,29-35,37,39-43,45-46,48-58H2,1-3H3/b11-8-,20-17-,28-26-,38-36-,47-44-
HMDB43718	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,36,42,45,57H,4-7,9-10,12-16,18-19,21-25,27,29-33,35,37-41,43-44,46-56H2,1-3H3/b11-8-,20-17-,28-26-,36-34-,45-42-
HMDB43711	TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34-36,38,57H,4-6,9,12-15,18,21-24,29,31,33,37,39-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-
HMDB43710	TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,39,42,55H,4-6,9,12-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB43713	TG(15:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-
HMDB43712	TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34-36,38,44,47,57H,4-6,9,12-15,18,21-24,29,31,33,37,39-43,45-46,48-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,47-44-
HMDB43715	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,36,39,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-35,37-38,40-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-,39-36-
HMDB43714	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,35,38,50H,4-6,8-9,11-15,17-18,20-24,27,30-34,36-37,39-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,38-35-
HMDB43717	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,40,43,55H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-39,41-42,44-54H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,43-40-
HMDB43716	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-
HMDB39215	Hexyl 2-methylbutanoate	CCCCCCOC(=O)C(C)CC	InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
HMDB39214	3-Hydroxybutanoic acid, 9CI; (R)-form, O-[a-L-Arabinopyranosyl-(1-&gt;6)-b-D-glucopyranoside], butyl ester	CCCCOC(=O)CC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3
HMDB39217	Isopropyl 2-methylbutanoate	CCC(C)C(=O)OC(C)C	InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
HMDB39216	Butyl 2-methylbutanoate	CCCCOC(=O)C(C)CC	InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3
HMDB39211	1,3,5,6,8-Pentahydroxy-2-methylanthraquinone; 6-Me ether, 8-O-b-D-glucopyranoside	COC1=C(O)C2=C(C(=O)C3=C(C=C(O)C(C)=C3O)C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C22H22O12/c1-6-8(24)3-7-12(15(6)25)19(29)13-9(4-10(32-2)17(27)14(13)16(7)26)33-22-21(31)20(30)18(28)11(5-23)34-22/h3-4,11,18,20-25,27-28,30-31H,5H2,1-2H3
HMDB39210	1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone	COC1=C(O)C2=C(C(O)=C1)C(=O)C1=C(C=C(O)C(C)=C1O)C2=O	InChI=1S/C16H12O7/c1-5-7(17)3-6-10(13(5)19)16(22)11-8(18)4-9(23-2)15(21)12(11)14(6)20/h3-4,17-19,21H,1-2H3
HMDB39213	Tetradecanoic acid Li salt	[Li+].CCCCCCCCCCCCCC([O-])=O	InChI=1S/C14H28O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1
HMDB39212	Soyasapogenol F	CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)C5CC[C@@]34C)=C2C1	InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h21-24,31-33H,8-18H2,1-7H3/t21?,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
HMDB47621	TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,52,55,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-
HMDB00390	3a,7b,12b-Trihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20-,22+,23+,24-/m1/s1
HMDB47623	TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36,38,41-42,45,62H,4-7,10,13-16,19,22-25,28,30-35,37,39-40,43-44,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-
HMDB47622	TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36,38,41,62H,4-7,10,13-16,19,22-25,28,30-35,37,39-40,42-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,41-38-
HMDB39219	1-Methylbutyl butanoate	CCCC(C)OC(=O)CCC	InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
HMDB39218	2-Methylbutyl 2-methylbutanoate	CCC(C)COC(=O)C(C)CC	InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
HMDB47627	TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,52,55,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-
HMDB00391	7-Ketodeoxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1
HMDB00398	3-Oxoadipic acid	OC(=O)CCC(=O)CC(O)=O	InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)
HMDB00399	3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1
HMDB49034	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-
HMDB14838	Eplerenone	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC	InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
HMDB14839	Amprenavir	CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1	InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
HMDB14834	Ergotamine	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O	InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
HMDB14835	Tizanidine	ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1	InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)
HMDB14836	Nitrofurantoin	[O-][N+](=O)C1=CC=C(O1)\C=N/N1CC(=O)NC1=O	InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3-
HMDB14837	Nicergoline	[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@]1(C[C@@H](COC(=O)C1=CC(Br)=CN=C1)CN2C)OC	InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1
HMDB14830	Phentolamine	CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1	InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
HMDB14831	Fluorescein	OC1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=C(O)C=C1	InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H
HMDB14832	Daunorubicin	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O	InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
HMDB59023	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,42-46,53-54,57-58,79-81,86H,5-20,23-24,28-30,32,35,39-41,47-52,55-56,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,45-43-,46-44-,57-53-,58-54-/t79?,80-,81-/m1/s1
HMDB58993	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,41,44,46,48-50,52,54,57,60-62,64,66,83-85,90H,5-20,24,28-32,36,40,42-43,45,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB58992	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,40,42,45,47-48,52,55,59-60,64,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-44,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB58991	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,46-47,49-50,52,56-58,61-62,64,68,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,48,51,53-55,59-60,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,50-47-,56-52-,61-57-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB58990	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,46-47,49-50,52,56-58,61-62,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,48,51,53-55,59-60,63-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,50-47-,56-52-,61-57-,62-58-/t83?,84-,85-/m1/s1
HMDB58997	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,46,48-50,52,54,57,60-61,64,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,47,51,53,55-56,58-59,62-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-/t83?,84-,85-/m1/s1
HMDB58996	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,45,47-48,52,55,59,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46,49-51,53-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,47-45-,52-48-,59-55-/t81?,82-,83-/m1/s1
HMDB58995	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,68,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-/t85?,86-,87-/m1/s1
HMDB58994	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58999	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,64-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-/t85?,86-,87-/m1/s1
HMDB58998	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63,66,70,85-87,92H,5-8,10-12,14-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,64-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,70-66-/t85?,86-,87-/m1/s1
HMDB51735	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,37,40,46,49,61H,4-14,16,19,21-23,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,40-37-,49-46-
HMDB15129	Neomycin	NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O	InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
HMDB15128	Azathioprine	CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O	InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
HMDB15121	Glycopyrrolate	C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1	InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1
HMDB15120	Dimenhydrinate	CN1C2=C([N-]C(Cl)=N2)C(=O)N(C)C1=O.C[NH+](C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10,13)
HMDB15122	Cytarabine	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
HMDB15125	Exemestane	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C	InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
HMDB15124	Rivastigmine	CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C	InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
HMDB15127	Methyl aminolevulinate	COC(=O)CCC(=O)CN	InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3
HMDB15126	Oxaprozin	OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
HMDB05379	TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,21,24-26,50H,4-15,17-18,20,22-23,27-49H2,1-3H3/b19-16-,24-21-,26-25-/t50-/m1/s1
HMDB05378	TG(16:0/16:1(9Z)/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h21,24-26,52H,4-20,22-23,27-51H2,1-3H3/b24-21-,26-25-/t52-/m1/s1
HMDB05375	TG(16:0/16:1(9Z)/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h21,24,52H,4-20,22-23,25-51H2,1-3H3/b24-21-/t52-/m1/s1
HMDB05374	TG(16:0/16:1(9Z)/18:0)[iso6]	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h21,24,50H,4-20,22-23,25-49H2,1-3H3/b24-21-/t50-/m1/s1
HMDB05377	TG(16:0/16:1(9Z)/18:1(9Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h21,24-26,50H,4-20,22-23,27-49H2,1-3H3/b24-21-,26-25-/t50-/m1/s1
HMDB05376	TG(16:0/16:1(9Z)/16:1(9Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,21-22,24,48H,4-18,20,23,25-47H2,1-3H3/b22-19-,24-21-/t48-/m0/s1
HMDB05371	TG(16:0/20:0/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m1/s1
HMDB05370	TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,38,41,54H,4-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,32-30-,41-38-/t54-/m1/s1
HMDB05373	TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,34,40,43,56H,4-15,17-18,20-24,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,27-25-,34-31-,43-40-/t56-/m1/s1
HMDB05372	TG(16:0/20:0/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m1/s1
HMDB58379	CL(18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB58378	CL(18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-35,37-38,41-45,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,36,39-40,46-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58377	CL(18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,39-41,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,35,38,42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB58376	CL(18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,37,39-41,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,35-36,38,42-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,50-46-/t79?,80-,81-/m1/s1
HMDB58375	CL(18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,37,39-41,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,35-36,38,42-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,50-46-/t79?,80-,81-/m1/s1
HMDB58374	CL(18:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-35,37-38,41-45,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,36,39-40,46-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58373	CL(18:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58372	CL(18:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-20,22-24,26-32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58371	CL(18:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-34,37,39-41,46,50,58,62,79-81,86H,5-20,22-24,26-27,29-31,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58370	CL(18:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-34,37,39-41,46,50,58,62,79-81,86H,5-20,22-24,26-32,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB11925	Ganglioside GM3 (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C66H124N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(76)68-47(48(73)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-84-63-58(80)57(79)60(52(44-71)86-63)87-64-59(81)62(56(78)51(43-70)85-64)89-66(65(82)83)41-49(74)54(67-46(3)72)61(88-66)55(77)50(75)42-69/h47-52,54-64,69-71,73-75,77-81H,4-45H2,1-3H3,(H,67,72)(H,68,76)(H,82,83)/t47-,48+,49-,50+,51+,52+,54+,55+,56-,57+,58+,59+,60+,61?,62-,63+,64-,66-/m0/s1
HMDB11924	Ganglioside GM3 (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h18-19,46-51,53-63,68-70,72-74,76-80H,4-17,20-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/b19-18-/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60?,61-,62+,63-,65-/m0/s1
HMDB11927	Ganglioside GM3 (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h18-19,48-53,55-65,70-72,74-76,78-82H,4-17,20-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/b19-18-/t48-,49+,50-,51+,52+,53+,55+,56+,57-,58+,59+,60+,61+,62?,63-,64+,65-,67-/m0/s1
HMDB11926	Ganglioside GM3 (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C67H126N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h48-53,55-65,70-72,74-76,78-82H,4-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/t48-,49+,50-,51+,52+,53+,55+,56+,57-,58+,59+,60+,61+,62?,63-,64+,65-,67-/m0/s1
HMDB11921	Ganglioside GM3 (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h18-19,44-49,51-61,66-68,70-72,74-78H,4-17,20-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/b19-18-/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58?,59-,60+,61-,63-/m0/s1
HMDB11920	Ganglioside GM3 (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C63H118N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h44-49,51-61,66-68,70-72,74-78H,4-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58?,59-,60+,61-,63-/m0/s1
HMDB11923	Ganglioside GM3 (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C65H122N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h46-51,53-63,68-70,72-74,76-80H,4-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60?,61-,62+,63-,65-/m0/s1
HMDB11922	Ganglioside GM3 (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C64H120N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-38-51(74)66-45(46(71)37-35-33-31-29-27-25-17-15-13-11-9-7-5-2)43-82-61-56(78)55(77)58(50(42-69)84-61)85-62-57(79)60(54(76)49(41-68)83-62)87-64(63(80)81)39-47(72)52(65-44(3)70)59(86-64)53(75)48(73)40-67/h45-50,52-62,67-69,71-73,75-79H,4-43H2,1-3H3,(H,65,70)(H,66,74)(H,80,81)/t45-,46+,47-,48+,49+,50+,52+,53+,54-,55+,56+,57+,58+,59?,60-,61+,62-,64-/m0/s1
HMDB11929	Ganglioside GM3 (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H106N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h14,16,30,32,40-45,47-57,62-64,66-68,70-74H,4-13,15,17-29,31,33-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b16-14-,32-30+/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54?,55-,56+,57-,59-/m0/s1
HMDB11928	Ganglioside GM3 (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C55H100N2O21/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-37(62)36(57-42(65)29-27-25-23-21-18-15-13-11-9-7-5-2)34-73-52-47(69)46(68)49(41(33-60)75-52)76-53-48(70)51(45(67)40(32-59)74-53)78-55(54(71)72)30-38(63)43(56-35(3)61)50(77-55)44(66)39(64)31-58/h26,28,36-41,43-53,58-60,62-64,66-70H,4-25,27,29-34H2,1-3H3,(H,56,61)(H,57,65)(H,71,72)/b28-26+/t36-,37+,38-,39+,40+,41+,43+,44+,45-,46+,47+,48+,49+,50?,51-,52+,53-,55-/m0/s1
HMDB10038	PIP2(16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h11,13,17-18,35,38-43,46-48H,3-10,12,14-16,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b13-11-,18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10039	PIP2(16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-18,37,40-45,48-50H,3-16,19-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10030	PIP(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-18,20-21,24-25,39,42-47,50-53H,3-4,6,8-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,18-17-,21-20-,25-24-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10032	PIP2(16:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(O)(O)=O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37?,38?,39+,40?,41+/m1/s1
HMDB10033	PIP2(16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H79O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h14,16,33,36-41,44-46H,3-13,15,17-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b16-14-/t33-,36?,37?,38?,39+,40?,41+/m1/s1
HMDB10034	PIP2(16:0/16:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC	InChI=1S/C41H77O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h8,10,14,16,33,36-41,44-46H,3-7,9,11-13,15,17-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b10-8-,16-14-/t33-,36?,37?,38?,39+,40?,41+/m1/s1
HMDB10035	PIP2(16:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(O)(O)=O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H85O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h35,38-43,46-48H,3-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10036	PIP2(16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h13,15,35,38-43,46-48H,3-12,14,16-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b15-13-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10037	PIP2(16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h17-18,35,38-43,46-48H,3-16,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB38667	N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine	CC(CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O)SCC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C19H32N4O10S2/c1-9(35-8-13(19(32)33)23-15(25)5-3-11(21)17(28)29)6-34-7-12(18(30)31)22-14(24)4-2-10(20)16(26)27/h9-13H,2-8,20-21H2,1H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)
HMDB38666	L-N-(1H-Indol-3-ylacetyl)aspartic acid	OC(=O)CC(NC(=O)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
HMDB48870	TG(16:1(9Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33,36,58H,4-7,9-10,12-15,18,22-23,29-32,34-35,37-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB38669	S-(Allylthio)-L-cysteine	NC(CSSCC=C)C(O)=O	InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
HMDB48875	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-21,23-26,28-29,33,36,54H,4-15,17-18,22,27,30-32,34-35,37-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,29-28-,36-33-
HMDB38668	L-3-Amino-2-(oxalylamino)propanoic acid	NCC(NC(=O)C(O)=O)C(O)=O	InChI=1S/C5H8N2O5/c6-1-2(4(9)10)7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)
HMDB48876	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,35,38,56H,4-15,17-18,22,26,28,31-34,36-37,39-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,38-35-
HMDB04967	Tetrahexosylceramide (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59?,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1
HMDB04966	Tetrahexosylceramide (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C70H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)60(84)65(53(45-76)92-69)94-70-63(87)66(57(81)51(43-74)90-70)95-67-55(71-47(3)77)58(82)56(80)50(42-73)89-67/h38,40,48-53,55-70,73-76,78,80-87H,4-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61?,62+,63+,64+,65-,66-,67-,68+,69-,70+/m0/s1
HMDB04965	Tetrahexosylceramide (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C70H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)60(84)65(53(45-76)92-69)94-70-63(87)66(57(81)51(43-74)90-70)95-67-55(71-47(3)77)58(82)56(80)50(42-73)89-67/h18-19,38,40,48-53,55-70,73-76,78,80-87H,4-17,20-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b19-18-,40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61?,62+,63+,64+,65-,66-,67-,68+,69-,70+/m0/s1
HMDB04964	Tetrahexosylceramide (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H124N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h18-19,36,38,46-51,53-68,71-74,76,78-85H,4-17,20-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b19-18-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59?,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1
HMDB04963	Tetrahexosylceramide (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C66H122N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(75)68-44(45(74)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-84-64-57(81)55(79)60(48(40-71)87-64)89-65-58(82)56(80)61(49(41-72)88-65)90-66-59(83)62(53(77)47(39-70)86-66)91-63-51(67-43(3)73)54(78)52(76)46(38-69)85-63/h34,36,44-49,51-66,69-72,74,76-83H,4-33,35,37-42H2,1-3H3,(H,67,73)(H,68,75)/b36-34+/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54+,55+,56+,57?,58+,59+,60+,61-,62-,63-,64+,65-,66+/m0/s1
HMDB04962	Tetrahexosylceramide (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C64H118N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(73)66-42(43(72)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-82-62-55(79)53(77)58(46(38-69)85-62)87-63-56(80)54(78)59(47(39-70)86-63)88-64-57(81)60(51(75)45(37-68)84-64)89-61-49(65-41(3)71)52(76)50(74)44(36-67)83-61/h32,34,42-47,49-64,67-70,72,74-81H,4-31,33,35-40H2,1-3H3,(H,65,71)(H,66,73)/b34-32+/t42-,43+,44+,45+,46+,47+,49+,50-,51-,52+,53+,54+,55?,56+,57+,58+,59-,60-,61-,62+,63-,64+/m0/s1
HMDB04961	Tetrahexosylceramide (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53?,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1
HMDB04960	Tetrahexosylceramide (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-51(75)49(73)54(42(34-65)81-58)83-59-52(76)50(74)55(43(35-66)82-59)84-60-53(77)56(47(71)41(33-64)80-60)85-57-45(61-37(3)67)48(72)46(70)40(32-63)79-57/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40+,41+,42+,43+,45+,46-,47-,48+,49+,50+,51?,52+,53+,54+,55-,56-,57-,58+,59-,60+/m0/s1
HMDB04969	Glucosylceramide (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23+/t29-,30+,31+,33+,34-,35+,36+/m0/s1
HMDB04968	Tetrahexosylceramide (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C69H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(78)71-47(48(77)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-87-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)65(56(80)50(42-73)89-69)94-66-54(70-46(3)76)57(81)55(79)49(41-72)88-66/h37,39,47-52,54-69,72-75,77,79-86H,4-36,38,40-45H2,1-3H3,(H,70,76)(H,71,78)/b39-37+/t47-,48+,49+,50+,51+,52+,54+,55-,56-,57+,58+,59+,60?,61+,62+,63+,64-,65-,66-,67+,68-,69+/m0/s1
HMDB44310	TG(16:0/20:2n6/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,49H,4-12,14,17,19-21,23,25-48H2,1-3H3/b16-13-,18-15-,24-22-
HMDB51033	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,37,39,45,48,62H,4-20,22-23,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b24-21-,28-25-,29-26-,39-37-,48-45-
HMDB51032	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,35,37,43,46,60H,4-20,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b24-21-,28-25-,29-26-,37-35-,46-43-
HMDB51031	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,33-36,41-42,44-45,58H,4-20,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB51030	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,38,41,55H,4-20,22-23,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b24-21-,27-25-,33-30-,41-38-
HMDB51037	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33-36,42,45,58H,4-15,17-18,20,22-23,27,30-32,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,36-34-,45-42-
HMDB51036	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,33,35,41,44,57H,4-13,15-16,18-20,22,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,35-33-,44-41-
HMDB51035	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,30,32,34,36,39-40,43,56H,4-16,18-19,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB51034	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,32-33,35,41,44,57H,4-19,22,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b23-20-,24-21-,28-25-,32-29-,35-33-,44-41-
HMDB51039	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,35,37,43,46,60H,4-15,17-18,20,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-35-,46-43-
HMDB51038	TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33-36,41-42,44-45,58H,4-15,17-18,20,22-23,27,30-32,37-40,43,46-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB55903	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,9,12-15,18,21-24,27,30-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB55902	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,38,41,47,50,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-37,39-40,42-46,48-49,51-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,41-38-,50-47-
HMDB55901	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-
HMDB55900	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,36,39,45,48,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-35,37-38,40-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,39-36-,48-45-
HMDB55907	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-
HMDB55906	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,42,45,51,54,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,45-42-,54-51-
HMDB55905	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-
HMDB55904	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40,43,49,52,63H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-,52-49-
HMDB55908	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,41,44,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-40,42-43,45-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-,44-41-
HMDB07265	DG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,41,44H,3-4,6,8-10,15-16,20,24-25,27,29-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1
HMDB07264	DG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,32,34,41,44H,3-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1
HMDB07267	DG(18:2(9Z,12Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,43,46H,3-11,13,15-17,19-24,26-42H2,1-2H3/b14-12-,25-18-/t43-/m0/s1
HMDB12369	PS(16:1(9Z)/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,36-37H,3-10,12,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,16-14-,18-17-/t36-,37+/m1/s1
HMDB07261	DG(18:2(9Z,12Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,41,44H,3-11,13,15-16,20-22,24-40H2,1-2H3/b14-12-,19-17-,23-18-/t41-/m0/s1
HMDB07260	DG(18:2(9Z,12Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,41,44H,3-11,13,15-17,19-22,24-40H2,1-2H3/b14-12-,23-18-/t41-/m0/s1
HMDB07263	DG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,41,44H,3-10,15-16,20,24-25,27,29-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1
HMDB07262	DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44H,3-10,15-16,20-22,24-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-/t41-/m0/s1
HMDB12362	PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,40-41H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t40-,41+/m1/s1
HMDB12363	PS(16:1(9Z)/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C36H68NO10P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(38)44-29-32(30-45-48(42,43)46-31-33(37)36(40)41)47-35(39)28-26-24-22-20-17-14-12-10-8-6-4-2/h13,15,32-33H,3-12,14,16-31,37H2,1-2H3,(H,40,41)(H,42,43)/b15-13-/t32-,33+/m1/s1
HMDB12360	PS(16:0/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,38-39H,3-10,12,14-16,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,18-17-,22-20-/t38-,39+/m1/s1
HMDB12361	PS(16:0/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,38-39H,3-10,12,14-16,19,21,23-25,27,29-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,18-17-,22-20-,28-26-/t38-,39+/m1/s1
HMDB07269	DG(18:3(6Z,9Z,12Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,20-21,33,36H,3-10,12,14-15,18-19,22-32H2,1-2H3/b13-11-,17-16-,21-20-/t33-/m0/s1
HMDB07268	DG(18:2(9Z,12Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,43,46H,3-11,13,15-16,20-24,26-42H2,1-2H3/b14-12-,19-17-,25-18-/t43-/m0/s1
HMDB12364	PS(16:1(9Z)/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C36H66NO10P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(38)44-29-32(30-45-48(42,43)46-31-33(37)36(40)41)47-35(39)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12-13,15,32-33H,3-9,11,14,16-31,37H2,1-2H3,(H,40,41)(H,42,43)/b12-10-,15-13-/t32-,33+/m1/s1
HMDB12365	PS(16:1(9Z)/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,34-35H,3-12,14,16-33,39H2,1-2H3,(H,42,43)(H,44,45)/b15-13-/t34-,35+/m1/s1
HMDB53688	TG(20:3n6/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,55H,4-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b19-16-,27-25-,33-30-
HMDB53689	TG(20:3n6/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,58H,4-15,18,21-24,27,30-32,37-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-
HMDB53682	TG(20:3n6/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-
HMDB53683	TG(20:3n6/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33-34,37,54H,4-7,9-10,12-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-
HMDB53680	TG(20:3n6/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,39,58H,4-15,18,21-24,29,31,34-35,38,40-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-
HMDB53681	TG(20:3n6/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,39,45,48,58H,4-15,18,21-24,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-
HMDB53686	TG(20:3n6/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,39,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-
HMDB53687	TG(20:3n6/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-
HMDB53684	TG(20:3n6/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-
HMDB53685	TG(20:3n6/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,39,42,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-
HMDB54548	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,37,43,46,66H,4-6,8-9,11-15,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB54549	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB50342	TG(20:1(11Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30,55H,4-19,21-22,24,26,29,31-54H2,1-3H3/b23-20-,27-25-,30-28-
HMDB50343	TG(20:1(11Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,34,37,54H,4-16,18-19,21-24,28,30-33,35-36,38-53H2,1-3H3/b20-17-,27-25-,29-26-,37-34-
HMDB50340	TG(20:1(11Z)/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,58H,4-24,29-57H2,1-3H3/b27-25-,28-26-
HMDB50341	TG(20:1(11Z)/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-
HMDB50346	TG(20:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,34,39,42,56H,4-15,17-18,20-24,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,42-39-
HMDB50347	TG(20:1(11Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,58H,4-15,17-18,20-24,29-57H2,1-3H3/b19-16-,27-25-,28-26-
HMDB50344	TG(20:1(11Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,55H,4-13,15-16,18-22,24,28-54H2,1-3H3/b17-14-,26-23-,27-25-
HMDB50345	TG(20:1(11Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,34,56H,4-15,17-18,20-24,29-30,32-33,35-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-
HMDB50348	TG(20:1(11Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,37,39,58H,4-15,17-18,20-24,29,31,33-36,38,40-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-37-
HMDB50349	TG(20:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,37,39,45,48,58H,4-15,17-18,20-24,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-37-,48-45-
HMDB53530	TG(20:2n6/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,33,59H,4-8,10-11,13,15,20,22,24,29-32,34-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,33-27-
HMDB53531	TG(20:2n6/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,33,39,42,59H,4-8,10-11,13,15,20,22,24,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,33-27-,42-39-
HMDB53532	TG(20:2n6/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,36,39,61H,4-7,9-10,12-14,21-23,30-35,37-38,40-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,39-36-
HMDB53533	TG(20:2n6/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,36,39,45,48,61H,4-7,9-10,12-14,21-23,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,39-36-,48-45-
HMDB53534	TG(20:2n6/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33,35,41,44,63H,4-6,8-9,11-14,21-23,30-32,34,36-40,42-43,45-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,44-41-
HMDB53535	TG(20:2n6/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33,35,41,44,50,53,63H,4-6,8-9,11-14,21-23,30-32,34,36-40,42-43,45-49,51-52,54-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB53536	TG(20:2n6/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,60H,4-13,15,18,20-22,24,27,29-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-
HMDB53537	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14-19,23-28,32-33,39,42,60H,4-13,20-22,29-31,34-38,40-41,43-59H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,33-32-,42-39-
HMDB53538	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,36,39-40,43,61H,4-14,21-23,30-31,33,35,37-38,41-42,44-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-
HMDB53539	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,36,39-40,43,45,48,61H,4-14,21-23,30-31,33,35,37-38,41-42,44,46-47,49-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-
HMDB54542	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,43,46,66H,4-15,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB55275	TG(18:3(9Z,12Z,15Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-32,35-36,39,56H,4-7,10,13-15,22-24,29,33-34,37-38,40-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-
HMDB55274	TG(18:3(9Z,12Z,15Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-32,35,56H,4-7,10,13-15,22-24,29,33-34,36-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-
HMDB55277	TG(18:3(9Z,12Z,15Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-34,36-37,42,45,58H,4-6,8,11,13-15,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB54543	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37,43,46,52,55,66H,4-15,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB55271	TG(18:3(9Z,12Z,15Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,37,40,59H,4-6,8,11,13,15,20,22,24,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-
HMDB44734	TG(18:0/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,53H,4-18,20-21,23-26,28,30-52H2,1-3H3/b22-19-,29-27-
HMDB55273	TG(18:3(9Z,12Z,15Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h9,12-13,16,18,21-22,25,27,30,56H,4-8,10-11,14-15,17,19-20,23-24,26,28-29,31-55H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,30-27-
HMDB55272	TG(18:3(9Z,12Z,15Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,37,40,46,49,59H,4-6,8,11,13,15,20,22,24,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB44735	TG(18:0/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,32,35,52H,4-15,17-18,20-24,26,28-31,33-34,36-51H2,1-3H3/b19-16-,27-25-,35-32-
HMDB55279	TG(18:3(9Z,12Z,15Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-39,41,47,50,60H,4-6,8,11,13-15,22-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-
HMDB55278	TG(18:3(9Z,12Z,15Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-39,41,60H,4-6,8,11,13-15,22-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-
HMDB44738	TG(18:0/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,38,41,54H,4-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,33-30-,41-38-
HMDB44739	TG(18:0/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-
HMDB44318	TG(16:0/20:2n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,19,22-23,26-27,29,54H,4-13,15-16,18,20-21,24-25,28,30-53H2,1-3H3/b17-14-,22-19-,26-23-,29-27-
HMDB44319	TG(16:0/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16-17,20,22,25-26,28,34,37,53H,4-12,14-15,18-19,21,23-24,27,29-33,35-36,38-52H2,1-3H3/b16-13-,20-17-,25-22-,28-26-,37-34-
HMDB57695	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,40,44,52,56,75-77,82H,5-20,22-24,29,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB42107	TG(14:0/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19,24-25,29,31,47H,4-15,17-18,20-23,26-28,30,32-46H2,1-3H3/b19-16-,25-24-,31-29-
HMDB57697	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-37,41-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,29-30,35,38-40,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,45-41-,46-42-,57-53-,58-54-/t77?,78-,79-/m1/s1
HMDB57696	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,39-40,44,52,56,75-77,82H,5-20,22-24,27,29,31,34,37-38,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,32-28-,36-33-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB57691	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,38,40-41,45-46,50,53,57-58,62,77-79,84H,5-20,23-24,29-30,37,39,42-44,47-49,51-52,54-56,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-,62-58-/t77?,78-,79-/m1/s1
HMDB57690	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,39-40,43-44,51-52,55-56,75-77,82H,5-20,23-24,29-30,37-38,41-42,45-50,53-54,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,43-39-,44-40-,55-51-,56-52-/t76-,77-/m1/s1
HMDB57693	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,53,57-58,62,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51-52,54-56,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-,62-58-/t77?,78-,79-/m1/s1
HMDB42106	TG(14:0/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-29-23-20-17-14-11-8-5-2/h19,22,25-26,48H,4-18,20-21,23-24,27-47H2,1-3H3/b22-19-,26-25-
HMDB57699	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38,40,44,52,56,75-77,82H,5-20,22-24,26,29-30,35,37,39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,36-33-,38-34-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB42105	TG(14:0/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h24-25,53H,4-23,26-52H2,1-3H3/b25-24-
HMDB42104	TG(14:0/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h24-25,51H,4-23,26-50H2,1-3H3/b25-24-
HMDB06619	Difucosyllacto-N-hexaose b	[H][C@@](O[C@@H]1OC(CO[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H](O)C(O[C@]2([H])O[C@H](CO)[C@@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C52H88N2O39/c1-12-25(65)31(71)35(75)48(81-12)89-42-21(10-60)86-47(24(54-15(4)62)44(42)92-51-38(78)34(74)29(69)19(8-58)84-51)93-45-30(70)22(87-52(39(45)79)88-40(17(64)6-56)27(67)16(63)5-55)11-80-46-23(53-14(3)61)43(91-49-36(76)32(72)26(66)13(2)82-49)41(20(9-59)85-46)90-50-37(77)33(73)28(68)18(7-57)83-50/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13-,16-,17+,18+,19+,20+,21+,22?,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45?,46+,47-,48-,49-,50-,51-,52-/m0/s1
HMDB06618	Difucosyllactohexaose	[H][C@@](O[C@@H]1O[C@H](COC2O[C@H](CO)[C@@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H](O)C(O[C@]2([H])O[C@H](CO)C(O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C52H88N2O39/c1-12-25(65)31(71)35(75)48(81-12)91-43-23(53-14(3)61)46(85-20(9-59)41(43)89-50-37(77)33(73)28(68)18(7-57)83-50)80-11-22-30(70)45(39(79)52(87-22)88-40(17(64)6-56)27(67)16(63)5-55)93-47-24(54-15(4)62)44(92-49-36(76)32(72)26(66)13(2)82-49)42(21(10-60)86-47)90-51-38(78)34(74)29(69)19(8-58)84-51/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42?,43+,44?,45?,46?,47-,48-,49-,50-,51-,52-/m0/s1
HMDB06616	Difucosyl-para-N-hexaose	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@]([H])(O[C@@H]3O[C@H](CO)[C@H](O)C(O[C@]4([H])O[C@H](CO)[C@@H](O[C@]5([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O[C@]5([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)C(O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)C3O)[C@H]2NC(C)=O)C1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C52H88N2O39/c1-12-25(66)31(72)34(75)48(80-12)88-40-21(10-60)85-47(24(54-15(4)63)43(40)91-50-36(77)33(74)28(69)18(7-57)82-50)93-45-30(71)20(9-59)84-52(38(45)79)89-41-22(11-61)86-46(23(53-14(3)62)42(41)90-49-35(76)32(73)26(67)13(2)81-49)92-44-29(70)19(8-58)83-51(37(44)78)87-39(17(65)6-56)27(68)16(64)5-55/h5,12-13,16-52,56-61,64-79H,6-11H2,1-4H3,(H,53,62)(H,54,63)/t12-,13-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35?,36+,37?,38+,39+,40+,41+,42?,43+,44-,45?,46-,47-,48-,49-,50-,51-,52-/m0/s1
HMDB06614	Sialyl Lex penta	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O4)C(O)[C@H](O)CO)C(O)=O)[C@H]3O)[C@H](OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C43H72N2O33/c1-11-23(58)28(63)29(64)39(69-11)75-35-22(45-13(3)53)38(76-36-26(61)18(8-49)70-40(30(36)65)73-32(17(57)7-48)24(59)15(55)5-46)72-20(10-51)33(35)74-41-31(66)37(27(62)19(9-50)71-41)78-43(42(67)68)4-14(54)21(44-12(2)52)34(77-43)25(60)16(56)6-47/h5,11,14-41,47-51,54-66H,4,6-10H2,1-3H3,(H,44,52)(H,45,53)(H,67,68)/t11-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25?,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39?,40-,41-,43-/m0/s1
HMDB06612	Monofucosyllacto-N-hexaose	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](C[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OO[C@H]2O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C46H78N2O35/c1-11-23(59)28(64)31(67)42(72-11)79-39-21(47-12(2)55)17(4-14(5-49)36(39)76-43-32(68)29(65)25(61)18(8-52)74-43)82-83-46-35(71)40(34(70)45(81-46)77-37(16(58)7-51)24(60)15(57)6-50)80-41-22(48-13(3)56)38(27(63)20(10-54)73-41)78-44-33(69)30(66)26(62)19(9-53)75-44/h6,11,14-46,49,51-54,57-71H,4-5,7-10H2,1-3H3,(H,47,55)(H,48,56)/t11-,14+,15-,16+,17+,18+,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38?,39+,40+,41-,42-,43-,44-,45+,46+/m0/s1
HMDB06611	Alpha-Heptasaccharide	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O[C@@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C46H78N2O34/c1-11-23(59)30(66)32(68)43(71-11)78-36-20(10-54)76-42(80-38-27(63)18(8-52)74-45(34(38)70)77-35(16(58)6-50)25(61)15(57)5-49)22(48-14(4)56)37(36)79-46-40(82-44-33(69)31(67)24(60)12(2)72-44)39(28(64)19(9-53)75-46)81-41-21(47-13(3)55)29(65)26(62)17(7-51)73-41/h5,11-12,15-46,50-54,57-70H,6-10H2,1-4H3,(H,47,55)(H,48,56)/t11-,12-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42-,43-,44?,45-,46-/m0/s1
HMDB06610	Lacto-N-neohexaose	CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H]2O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)[C@H](O)C(O[C@@H]3O[C@H](CO)[C@@H](O)C(O[C@@H]4OC([C@H](O)CO)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O	InChI=1S/C40H68N2O31/c1-10(50)41-19-25(59)32(18(9-49)67-36(19)72-34-23(57)16(7-47)65-39(28(34)62)68-30(13(53)4-44)21(55)12(52)3-43)70-40-29(63)35(24(58)17(8-48)66-40)73-37-20(42-11(2)51)33(22(56)15(6-46)64-37)71-38-27(61)26(60)31(69-38)14(54)5-45/h3,12-40,44-49,52-63H,4-9H2,1-2H3,(H,41,50)(H,42,51)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+,27+,28-,29+,30+,31?,32?,33?,34-,35?,36-,37-,38-,39-,40-/m0/s1
HMDB09502	PE(22:0/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,47H,3-17,19,21-46,50H2,1-2H3,(H,53,54)/b20-18-/t47-/m1/s1
HMDB09503	PE(22:0/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47H,3-11,13,15-17,19,21-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-/t47-/m1/s1
HMDB09500	PE(22:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,26,28,32,34,45H,3-5,7,9-11,13,15-17,19,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,28-26-,34-32-/t45-/m1/s1
HMDB09501	PE(22:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47H,3-46,50H2,1-2H3,(H,53,54)/t47-/m1/s1
HMDB09506	PE(22:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,47H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,26-24-,32-30-/t47-/m1/s1
HMDB09507	PE(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,36,38,47H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
HMDB09504	PE(22:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,47H,3-11,13,15-17,19,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-,32-30-/t47-/m1/s1
HMDB09505	PE(22:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,36,38,47H,3-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
HMDB09508	PE(22:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H102NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h49H,3-48,52H2,1-2H3,(H,55,56)/t49-/m1/s1
HMDB09509	PE(22:0/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,49H,3-16,18,20-48,52H2,1-2H3,(H,55,56)/b19-17-/t49-/m1/s1
HMDB57529	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,29,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB57528	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-28,30-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,29,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB04101	Beta-Aminopropionitrile	NCCC#N	InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
HMDB57523	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h21-22,25-28,31-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1
HMDB57522	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21-22,25-28,31-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,29-30,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1
HMDB57521	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-36-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3/h21,25-28,30-33,35-36,38-39,42,49,53,74-76,81H,5-20,22-24,29,34,37,40-41,43-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-36-,42-39-,53-49-/t74?,75-,76-/m1/s1
HMDB57520	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,27-28,31-35,37-38,41,48,52,73-75,80H,5-20,22-24,26,29-30,36,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,37-34-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB57527	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,27-28,31-33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,26,29-30,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB57526	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-27,30-31,33-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,28-29,32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB57525	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1
HMDB57524	CL(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,52,56,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-/t77?,78-,79-/m1/s1
HMDB40637	4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one	CCCC(=O)C1=C(O)C=C(C)OC1=O	InChI=1S/C10H12O4/c1-3-4-7(11)9-8(12)5-6(2)14-10(9)13/h5,12H,3-4H2,1-2H3
HMDB40636	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol; (7'R,8'S)-form, 3',5-Di-Me ether, 4'-O-b-D-glucopyranoside	COC1=CC(\C=C/CO)=CC2=C1OC(C2CO)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1	InChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3-
HMDB40635	Piperochromenoic acid	CC(C)=CCC\C(C)=C\CCC1(C)OC2=CC=C(C=C2C=C1)C(O)=O	InChI=1S/C22H28O3/c1-16(2)7-5-8-17(3)9-6-13-22(4)14-12-18-15-19(21(23)24)10-11-20(18)25-22/h7,9-12,14-15H,5-6,8,13H2,1-4H3,(H,23,24)/b17-9+
HMDB40634	Piperochromanoic acid	CC(C)=CCC\C(C)=C/CCC1OC2=C(CC1=C)C=C(C=C2O)C(O)=O	InChI=1S/C22H28O4/c1-14(2)7-5-8-15(3)9-6-10-20-16(4)11-17-12-18(22(24)25)13-19(23)21(17)26-20/h7,9,12-13,20,23H,4-6,8,10-11H2,1-3H3,(H,24,25)/b15-9-
HMDB40633	Isobiflorin; 6''-O-(3,4,5-Trihydroxybenzoyl)	CC1=CC(=O)C2=C(O1)C(C1OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C1O)=C(O)C=C2O	InChI=1S/C23H22O13/c1-7-2-9(24)15-10(25)5-11(26)16(21(15)35-7)22-20(32)19(31)18(30)14(36-22)6-34-23(33)8-3-12(27)17(29)13(28)4-8/h2-5,14,18-20,22,25-32H,6H2,1H3
HMDB40632	Isobiflorin	CC1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O	InChI=1S/C16H18O9/c1-5-2-6(18)10-7(19)3-8(20)11(15(10)24-5)16-14(23)13(22)12(21)9(4-17)25-16/h2-3,9,12-14,16-17,19-23H,4H2,1H3
HMDB40631	Pratenol B	OC(=O)CC(=O)C(=C\C(O)=O)\C1=CC2=C(OC1)C=C(O)C=C2	InChI=1S/C15H12O7/c16-10-2-1-8-3-9(7-22-13(8)4-10)11(5-14(18)19)12(17)6-15(20)21/h1-5,16H,6-7H2,(H,18,19)(H,20,21)/b11-5+
HMDB40630	Pratenol A	CC1(O)OC(=O)C=C1C1=COC2=C(C1)C=CC(O)=C2	InChI=1S/C14H12O5/c1-14(17)11(6-13(16)19-14)9-4-8-2-3-10(15)5-12(8)18-7-9/h2-3,5-7,15,17H,4H2,1H3
HMDB51594	TG(22:1(13Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h25,27-28,33,59H,4-24,26,29-32,34-58H2,1-3H3/b28-25-,33-27-
HMDB51595	TG(22:1(13Z)/20:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-
HMDB51596	TG(22:1(13Z)/20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-
HMDB51597	TG(22:1(13Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,35,61H,4-20,22-23,27,31-34,36-60H2,1-3H3/b24-21-,28-25-,29-26-,35-30-
HMDB51590	TG(22:1(13Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,37,60H,4-7,9-10,12-16,18-19,21-24,30-33,36,38-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,37-35-
HMDB51591	TG(22:1(13Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,37,43,46,60H,4-7,9-10,12-16,18-19,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB40639	(xi)-(Z)-5-(3-Hexenyl)dihydro-2(3H)-furanone	CC\C=C/CCC1CCC(=O)O1	InChI=1S/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-
HMDB40638	3-(3-Furanyl)-2-methyl-2-propenal	C\C(C=O)=C\C1=COC=C1	InChI=1S/C8H8O2/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3/b7-4-
HMDB58016	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1
HMDB58017	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1
HMDB46396	TG(22:0/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,66H,4-15,17-18,20-24,26-27,29-65H2,1-3H3/b19-16-,28-25-
HMDB58014	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58015	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58012	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB58013	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58010	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-20,22-24,28-29,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58011	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,29,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB34414	3'-Hydroxy-4'-methoxyglabridin	COC1=CC=C(C2COC3=C4C=CC(C)(C)OC4=CC=C3C2)C(O)=C1O	InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3
HMDB34415	Withanolide A	CC1=C(C)C(=O)OC(C1)C(C)(O)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3
HMDB47045	TG(24:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,39,42,47,50,61H,4-16,18-19,21-25,27,29-32,34,36-38,40-41,43-46,48-49,51-60H2,1-3H3/b20-17-,28-26-,35-33-,42-39-,50-47-
HMDB47044	TG(24:0/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,39,42,61H,4-16,18-19,21-25,27,29-32,34,36-38,40-41,43-60H2,1-3H3/b20-17-,28-26-,35-33-,42-39-
HMDB47047	TG(24:0/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,38,40,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-37,39,41-56H2,1-3H3/b11-8-,20-17-,33-26-,40-38-
HMDB44000	TG(16:0/24:0/22:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB47046	TG(24:0/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-56H2,1-3H3/b11-8-,20-17-,33-26-
HMDB44001	TG(16:0/24:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3
HMDB47041	TG(24:0/15:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,37,59H,4-16,18-19,21-25,27,29-34,36,38-58H2,1-3H3/b20-17-,28-26-,37-35-
HMDB44002	TG(16:0/24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-
HMDB47040	TG(24:0/15:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,58H,4-13,15-16,18-22,24-25,27-57H2,1-3H3/b17-14-,26-23-
HMDB33352	Cyclobrassinin	CSC1=NCC2=C(NC3=C2C=CC=C3)S1	InChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3
HMDB33353	Agavasaponin C	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-36(55)33(52)38(27(15-47)60-40)63-42-37(56)34(53)39(28(16-48)61-42)62-41-35(54)32(51)31(50)26(14-46)59-41/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3
HMDB33350	Brassinin	CSC(=S)NCC1=CNC2=C1C=CC=C2	InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
HMDB33351	Methoxybrassinin	CON1C=C(CNC(=S)SC)C2=C1C=CC=C2	InChI=1S/C12H14N2OS2/c1-15-14-8-9(7-13-12(16)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,16)
HMDB33356	Xanthoplanine	COC1=CC2=C3C(CC4=CC(O)=C(OC)C=C4C3=C1OC)[N+](C)(C)CC2	InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1
HMDB33357	Laurelliptine	COC1=CC2=C3C(CC4=CC(O)=C(OC)C=C4C3=C1O)NCC2	InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3
HMDB33354	Cassythicine	COC1=C(O)C=C2CC3N(C)CCC4=C3C(=C3OCOC3=C4)C2=C1	InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3
HMDB33355	Dehydroaporheine	CN1CCC2=C3C1=CC1=CC=CC=C1C3=C1OCOC1=C2	InChI=1S/C18H15NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,8-9H,6-7,10H2,1H3
HMDB46770	TG(22:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,41,47,50,64H,4-16,19,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,50-47-
HMDB34418	Pollinastanol	CC(C)CCCC(C)C1CCC2(C)C3CCC4CC(O)CCC44CC34CCC12C	InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h19-24,29H,6-18H2,1-5H3
HMDB33358	(S)-Neolitsine	CN1CCC2=C3C1CC1=CC4=C(OCO4)C=C1C3=C1OCOC1=C2	InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3
HMDB33359	Cryptodorine	C1OC2=CC3=C4C(CC5=CC6=C(OCO6)C=C5C4=C2O1)NCC3	InChI=1S/C18H15NO4/c1-2-19-12-3-10-5-13-14(21-7-20-13)6-11(10)17-16(12)9(1)4-15-18(17)23-8-22-15/h4-6,12,19H,1-3,7-8H2
HMDB46774	TG(22:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-
HMDB46775	TG(22:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,42,45,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,45-42-
HMDB46776	TG(22:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,41,64H,4-8,10-11,13-16,19,22-25,28,31-37,39-40,42-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-
HMDB34419	Stigmasta-5,22-dien-3-ol; (3b,22E,24S)-form, 3-O-b-D-Glucopyranoside	CCC(\C=C\C(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C	InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+
HMDB49719	TG(18:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,33,36,41,44,54H,4-6,8-9,11-15,17-18,20-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,36-33-,44-41-
HMDB49718	TG(18:1(9Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,33,36,54H,4-6,8-9,11-15,17-18,20-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,36-33-
HMDB44006	TG(16:0/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26-
HMDB49713	TG(18:1(9Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,33,36,41,44,54H,4-15,17-18,20-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,36-33-,44-41-
HMDB49712	TG(18:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,33,36,54H,4-15,17-18,20-23,27,31-32,34-35,37-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,36-33-
HMDB49711	TG(18:1(9Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,30,54H,4-15,17-18,20-23,27-29,31-53H2,1-3H3/b19-16-,26-24-,30-25-
HMDB44007	TG(16:0/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,38,44,47,60H,4-25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b28-26-,38-35-,47-44-
HMDB49717	TG(18:1(9Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-29,31,36,39,52H,4-6,8-9,11-15,17-18,20-23,27,30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,31-29-,39-36-
HMDB49716	TG(18:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-29,31,52H,4-6,8-9,11-15,17-18,20-23,27,30,32-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,31-29-
HMDB49715	TG(18:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,31,33,50H,4-6,8-9,11-15,17-18,20-23,28-30,32,34-49H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,33-31-
HMDB49714	TG(18:1(9Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,50H,4-6,8-9,11-15,17-18,20-23,28-49H2,1-3H3/b10-7-,19-16-,26-24-,27-25-
HMDB44058	TG(16:0/16:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,20,23,46H,4-14,16-17,19,21-22,24-45H2,1-3H3/b18-15-,23-20-
HMDB44608	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,40,58H,4-6,9,12-15,18,21-24,29,31,34-35,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-
HMDB44609	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,40,42,45,58H,4-6,9,12-15,18,21-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB44606	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,38,56H,4-6,9,12-15,18,21-24,28,32-34,36-37,39-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-
HMDB44607	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37-38,40,56H,4-6,9,12-15,18,21-24,28,32-34,36,39,41-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-
HMDB44604	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,38-39,41-42,60H,4-7,9-10,12-15,18,21-24,29-30,35-37,40,43-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB44605	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,38-39,41-42,47,50,60H,4-7,9-10,12-15,18,21-24,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-
HMDB44602	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,40,42,45,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB44603	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,39,42,60H,4-7,9-10,12-15,18,21-24,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,42-39-
HMDB44600	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,36,39,57H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-35,37-38,40-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,39-36-
HMDB44601	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,40,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38-39,41-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-
HMDB33688	Pyranomammea C	CCCC1=CC(=O)OC2=C1C(O)=C1CC(O)C(C)(C)OC1=C2C(=O)CC(C)C	InChI=1S/C22H28O6/c1-6-7-12-9-16(25)27-21-17(12)19(26)13-10-15(24)22(4,5)28-20(13)18(21)14(23)8-11(2)3/h9,11,15,24,26H,6-8,10H2,1-5H3
HMDB33689	Pelargonidin 3-(2gluglucosylrutinoside)	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=[O+]C2=C(C([H])=C1O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[C@]1([H])OC([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C(O[H])=C([H])C(O[H])=C2[H]	InChI=1S/C33H40O19/c1-11-21(38)24(41)27(44)31(47-11)46-10-20-23(40)26(43)30(52-32-28(45)25(42)22(39)19(9-34)50-32)33(51-20)49-18-8-15-16(37)6-14(36)7-17(15)48-29(18)12-2-4-13(35)5-3-12/h2-8,11,19-28,30-34,38-45H,9-10H2,1H3,(H2-,35,36,37)/p+1/t11-,19?,20+,21-,22+,23+,24+,25-,26-,27+,28+,30+,31+,32-,33+/m0/s1
HMDB33680	Falcarindione	CCCCCCC\C=C\C(=O)C#CC#CC(=O)C=C	InChI=1S/C17H20O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14H,2-3,5-9H2,1H3/b14-10+
HMDB33681	Pelargonin	OCC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1
HMDB33682	Pelargonidin 3-galactoside	OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1
HMDB33683	Melilotocarpan E	COC1=CC=C2C3OC4=C(C=CC(O)=C4OC)C3COC2=C1O	InChI=1S/C17H16O6/c1-20-12-6-4-9-14-10(7-22-15(9)13(12)19)8-3-5-11(18)17(21-2)16(8)23-14/h3-6,10,14,18-19H,7H2,1-2H3
HMDB33684	25-Methylgramisterol	CC(CCC(=C)C(C)(C)C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C	InChI=1S/C30H50O/c1-19(9-10-20(2)28(4,5)6)23-13-14-25-22-11-12-24-21(3)27(31)16-18-30(24,8)26(22)15-17-29(23,25)7/h11,19,21,23-27,31H,2,9-10,12-18H2,1,3-8H3
HMDB33685	alpha-Tocopherol succinate	CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1	InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)
HMDB33686	(3beta,4alpha,5alpha,24(28)Z)-4,14-Dimethylstigmasta-8,24(28)-dien-3-ol	C\C=C(\CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3)C(C)C	InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h9,20-22,24-25,28,32H,10-19H2,1-8H3/b23-9-
HMDB33687	Pelargonidin 3-sophoroside 5-glucoside	OCC1OC(OC2C(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O20/c34-8-18-21(39)24(42)27(45)31(50-18)48-16-6-13(38)5-15-14(16)7-17(29(47-15)11-1-3-12(37)4-2-11)49-33-30(26(44)23(41)20(10-36)52-33)53-32-28(46)25(43)22(40)19(9-35)51-32/h1-7,18-28,30-36,39-46H,8-10H2,(H-,37,38)/p+1
HMDB41278	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8b,10b)-form, 6-(3-Chloro-2-hydroxy-2-methylbutanoyl)	CC(Cl)C(C)(O)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C	InChI=1S/C20H29ClO6/c1-9-15-14(26-17(9)23)8-12-6-7-13(22)10(2)19(12,4)16(15)27-18(24)20(5,25)11(3)21/h10-14,16,22,25H,6-8H2,1-5H3
HMDB41279	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8b,10b)-form, 6-(2,3-Epoxy-2-methylbutanoyl)	CC1OC1(C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C	InChI=1S/C20H28O6/c1-9-15-14(24-17(9)22)8-12-6-7-13(21)10(2)19(12,4)16(15)25-18(23)20(5)11(3)26-20/h10-14,16,21H,6-8H2,1-5H3
HMDB41274	Phenylethyl primeveroside	OC1COC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C19H28O10/c20-11-8-27-18(16(24)13(11)21)28-9-12-14(22)15(23)17(25)19(29-12)26-7-6-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2
HMDB41275	1-Hydroxy-3,5-dimethoxy-2,4-diprenylxanthone	COC1=CC=CC2=C1OC1=C(C(O)=C(CC=C(C)C)C(OC)=C1CC=C(C)C)C2=O	InChI=1S/C25H28O5/c1-14(2)10-12-17-22(27)20-21(26)16-8-7-9-19(28-5)24(16)30-25(20)18(23(17)29-6)13-11-15(3)4/h7-11,27H,12-13H2,1-6H3
HMDB41276	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol; (7'x,8'x)-form, 3',5-Di-Me ether	COC1=CC(\C=C/CO)=CC2=C1OC(C2CO)C1=CC=C(O)C(OC)=C1	InChI=1S/C20H22O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-6,8-10,15,19,21-23H,7,11H2,1-2H3/b4-3-
HMDB41277	3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid	COC1=CC(\C=C/C(O)=O)=CC2=C1OC(C2C(O)=O)C1=CC=C(O)C(OC)=C1	InChI=1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/b6-3-
HMDB41270	2',4'-Dihydroxy-6'-methoxyacetophenone	COC1=C(C(C)=O)C(O)=CC(O)=C1	InChI=1S/C9H10O4/c1-5(10)9-7(12)3-6(11)4-8(9)13-2/h3-4,11-12H,1-2H3
HMDB41271	Salicylic acid beta-D-glucoside	OCC1OC(OC2=C(C=CC=C2)C(O)=O)C(O)C(O)C1O	InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)
HMDB41272	Uralenneoside	OC1COC(OC(=O)C2=CC(O)=C(O)C=C2)C(O)C1O	InChI=1S/C12H14O8/c13-6-2-1-5(3-7(6)14)11(18)20-12-10(17)9(16)8(15)4-19-12/h1-3,8-10,12-17H,4H2
HMDB41273	Myzodendrone	CC(=O)CCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1	InChI=1S/C16H22O8/c1-8(18)2-3-9-4-5-10(19)11(6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,12-17,19-22H,2-3,7H2,1H3
HMDB45656	TG(20:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-
HMDB45657	TG(20:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-,56-53-
HMDB42674	TG(14:0/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,58H,4-16,18-19,21-23,28-57H2,1-3H3/b20-17-,26-24-,27-25-
HMDB03571	Lauroyl-CoA	CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1
HMDB03573	Scopolamine	CN1C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
HMDB03572	Rosmarinic acid	OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1	InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
HMDB03577	VPGPR Enterostatin	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	InChI=1S/C23H40N8O6/c1-13(2)18(24)21(35)31-11-5-7-15(31)19(33)28-12-17(32)30-10-4-8-16(30)20(34)29-14(22(36)37)6-3-9-27-23(25)26/h13-16,18H,3-12,24H2,1-2H3,(H,28,33)(H,29,34)(H,36,37)(H4,25,26,27)/t14-,15-,16-,18-/m0/s1
HMDB39057	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; 4-O-(3,7-Dimethyl-2,6-octadienyl), 4-Me ether	COC1=C2OC(=O)C=CC2=C(OC\C=C(/C)CCC=C(C)C)C2=C1OC=C2	InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
HMDB31269	2-Nonenal	CCCCCC\C=C/C=O	InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7-
HMDB32087	5-Hydroxy-14,16-hentriacontanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(O)CCCC	InChI=1S/C31H60O3/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-26-30(33)28-31(34)27-23-20-17-16-18-21-25-29(32)24-6-4-2/h29,32H,3-28H2,1-2H3
HMDB32086	Muricoreacin	CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCC(O)C(O)CCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-15-29(37)32(40)20-21-33(41)34-22-18-28(44-34)14-13-16-30(38)31(39)19-17-27(36)24-26-23-25(2)43-35(26)42/h23,25,27-34,36-41H,3-22,24H2,1-2H3
HMDB32081	4,10-Longipinanedione	CC1C2C3C(CC1=O)C2(C)CCC(=O)C3(C)C	InChI=1S/C15H22O2/c1-8-10(16)7-9-13-12(8)15(9,4)6-5-11(17)14(13,2)3/h8-9,12-13H,5-7H2,1-4H3
HMDB32080	2,6-Dibromophenol	OC1=C(Br)C=CC=C1Br	InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
HMDB32083	24-Methylenepollinastanone	CCC(=C)CCC(C)C1CCC2(C)C3CCC4CC(=O)CCC44CC34CCC12C	InChI=1S/C28H44O/c1-6-19(2)7-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h20-21,23-24H,2,6-18H2,1,3-5H3
HMDB39050	Notoginsenoside T2	COC(\C=C(/C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O)C1OC1(C)C	InChI=1S/C37H62O10/c1-18(14-21(44-9)31-34(4,5)47-31)19-10-13-36(7)26(19)20(39)15-24-35(6)12-11-25(40)33(2,3)30(35)22(16-37(24,36)8)45-32-29(43)28(42)27(41)23(17-38)46-32/h14,19-32,38-43H,10-13,15-17H2,1-9H3/b18-14+
HMDB31260	(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne	CC#CC#CC#C\C=C\C=C\CCCCC=C	InChI=1S/C17H18/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15-17H,1,5,7,9,11H2,2H3/b15-13+,17-16+
HMDB31261	(2E,6E)-2,6-Nonadienal	CC\C=C/CC\C=C/C=O	InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7-
HMDB31262	2,6-Nonadien-1-ol	CC\C=C/CC\C=C/CO	InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3-,8-7-
HMDB31263	2,4-Nonanedione	CCCCCC(=O)CC(C)=O	InChI=1S/C9H16O2/c1-3-4-5-6-9(11)7-8(2)10/h3-7H2,1-2H3
HMDB31264	Nonanoic acid, 9CI; Me ester	CCCCCCCCC(=O)OC	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
HMDB32088	Jimenezin	CCCCCCCCCCC1OC(CCC1O)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-12-15-18-21-33-32(40)22-23-35(43-33)36-25-24-34(44-36)31(39)20-17-14-11-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
HMDB31266	2-Nonanone	CCCCCCCC(C)=O	InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
HMDB31267	3-Nonanone	CCCCCCC(=O)CC	InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
HMDB45951	TG(20:0/20:3n6/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,32,34,37,58H,4-16,18-19,21-25,28,30-31,33,35-36,38-57H2,1-3H3/b20-17-,29-26-,32-27-,37-34-
HMDB45950	TG(20:0/20:3n6/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,58H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-57H2,1-3H3/b20-17-,24-21-,29-26-,37-34-
HMDB45953	TG(20:0/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,34,36-37,39,43,46,60H,4-17,19-20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b21-18-,28-25-,30-27-,37-34-,39-36-,46-43-
HMDB45952	TG(20:0/20:3n6/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,60H,4-17,19-20,22-24,26,29,31-35,37-38,40-59H2,1-3H3/b21-18-,28-25-,30-27-,39-36-
HMDB45955	TG(20:0/20:3n6/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,64H,4-17,19-20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b21-18-,28-25-,30-27-,43-40-
HMDB45658	TG(20:0/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
HMDB45957	TG(20:0/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,32,34,37-38,41,58H,4-16,19,22-25,28,30-31,33,35-36,39-40,42-57H2,1-3H3/b20-17-,21-18-,29-26-,32-27-,37-34-,41-38-
HMDB45956	TG(20:0/20:3n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,33,35,38,59H,4-16,18-19,22-23,25,27-28,31-32,34,36-37,39-58H2,1-3H3/b20-17-,24-21-,29-26-,33-30-,38-35-
HMDB45959	TG(20:0/20:3n6/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,60H,4-15,17,20,22-24,26,29,31-33,35,38,40-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-
HMDB45958	TG(20:0/20:3n6/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,35,38,59H,4-14,16,19,21-23,25,28,30-34,36-37,39-58H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,38-35-
HMDB45659	TG(20:0/14:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-
HMDB32559	()-2-(1-Methylpropyl)-4,6-dinitrophenol	CCC(C)C1=C(O)C(=CC(=C1)N(=O)=O)N(=O)=O	InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
HMDB32558	Dinitolmide	CC1=C(C=C(C=C1N(=O)=O)N(=O)=O)C(N)=O	InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
HMDB32553	Vanillin 3-(L-menthoxy)propane-1,2-diol acetal	COC1=C(O)C=CC(=C1)C1OCC(COC2CC(C)CCC2C(C)C)O1	InChI=1S/C21H32O5/c1-13(2)17-7-5-14(3)9-19(17)24-11-16-12-25-21(26-16)15-6-8-18(22)20(10-15)23-4/h6,8,10,13-14,16-17,19,21-22H,5,7,9,11-12H2,1-4H3
HMDB32552	Vanillin 1,2-butylene glycol acetal	COC1=CC(=CC=C1O)C1OC(C)C(C)O1	InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3
HMDB32551	Valeraldehyde propyleneglycol acetal	CCCCC1OCC(C)O1	InChI=1S/C8H16O2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3
HMDB32550	Valeraldehyde dibutyl acetal	CCCCOC(CCCC)OCCCC	InChI=1S/C13H28O2/c1-4-7-10-13(14-11-8-5-2)15-12-9-6-3/h13H,4-12H2,1-3H3
HMDB32557	Zinc methionine sulfate	[Zn++].[O-]S([O-])(=O)=O.CSCCC(N)C(O)=O	InChI=1S/C5H11NO2S.H2O4S.Zn/c1-9-3-2-4(6)5(7)8;1-5(2,3)4;/h4H,2-3,6H2,1H3,(H,7,8);(H2,1,2,3,4);/q;;+2/p-2
HMDB32556	Wort	[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C	InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
HMDB32554	Vinyl chloride-vinylidene chloride copolymer	ClC=C.ClC(Cl)=C	InChI=1S/C2H2Cl2.C2H3Cl/c1-2(3)4;1-2-3/h1H2;2H,1H2
HMDB31198	()-3,5,5-Trimethyl-1-hexanol	CC(CCO)CC(C)(C)C	InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
HMDB31199	2,5-Dihydro-2,4,5-trimethyloxazole	CC1OC(C)C(C)=N1	InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
HMDB31196	4-Methyl-2-pentenal	CC(C)\C=C/C=O	InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3-
HMDB31197	2,4,4-Trimethylcyclopentanone	CC1CC(C)(C)CC1=O	InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3
HMDB31194	Tricycloekasantal	CC12C3CC(CC13)C2(C)CCC=O	InChI=1S/C12H18O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h5,8-10H,3-4,6-7H2,1-2H3
HMDB31195	3,5,5-Trimethyl-2-cyclohexen-1-one	CC1=CC(=O)CC(C)(C)C1	InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
HMDB31192	Propanethioic acid, 9CI; SH-form, Me ester	CCC(=O)SC	InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
HMDB31193	1,2,3-Propanetricarboxylic acid	OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
HMDB31190	S-Ethyl thioacetate	CCSC(C)=O	InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
HMDB31191	S-Methyl butanethioate	CCCC(=O)SC	InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
HMDB37693	2-Propenyl 2-aminobenzoate	NC1=CC=CC=C1C(=O)OCC=C	InChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
HMDB37692	5,7-Dihydroxy-3',4',5'-trimethoxyflavone	COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3
HMDB37691	Limocitrol	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2O	InChI=1S/C18H16O9/c1-24-9-6-7(4-5-8(9)19)15-13(22)11(20)10-12(21)17(25-2)14(23)18(26-3)16(10)27-15/h4-6,19,21-23H,1-3H3
HMDB37690	Limocitrol 3-glucoside	COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2O	InChI=1S/C24H26O14/c1-33-10-6-8(4-5-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3
HMDB37697	Isobutyl N-methylanthranilate	CNC1=CC=CC=C1C(=O)OCC(C)C	InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3
HMDB37696	2-Phenylethyl 2-aminobenzoate	NC1=CC=CC=C1C(=O)OCCC1=CC=CC=C1	InChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2
HMDB37695	Cyclohexyl 2-aminobenzoate	NC1=CC=CC=C1C(=O)OC1CCCCC1	InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2
HMDB37694	cis-3-Hexenyl 2-aminobenzoate	CC\C=C/CCOC(=O)C1=CC=CC=C1N	InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3-
HMDB59226	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65,69,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-52,55,59,61-64,66-68,70-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-/t87?,88-,89-/m1/s1
HMDB59227	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65,68-69,72,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB37699	C.I. Pigment Yellow 104	[Al+3].OC1=CC=C2C=C(C=CC2=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C16H12N2O7S2.Al/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;/h1-9,19H,(H,20,21,22)(H,23,24,25);/q;+3/b18-17+;
HMDB37698	Ethyl N-ethylanthranilate	CCNC1=CC=CC=C1C(=O)OCC	InChI=1S/C11H15NO2/c1-3-12-10-8-6-5-7-9(10)11(13)14-4-2/h5-8,12H,3-4H2,1-2H3
HMDB59222	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-35,37-38,41-45,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,27-32,36,39-40,46-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB59223	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,37-39,42-45,47,50-51,54-55,62,66,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35-36,40-41,46,48-49,52-53,56-61,63-65,67-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-,66-62-/t84?,85-,86-/m1/s1
HMDB59220	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-34,36-37,40-43,48-49,51-52,60,64,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,35,38-39,44-47,50,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,64-60-/t81?,82-,83-/m1/s1
HMDB59221	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,37-38,41-44,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35-36,39-40,45-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB08668	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,30,32,36,38,48H,6-13,15,17-19,21,23-24,26,28-29,31,33-35,37,39-47H2,1-5H3/b16-14-,22-20-,27-25-,32-30-,38-36-/t48-/m1/s1
HMDB08669	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,30,32,36,38,48H,6-13,15,17-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,32-30-,38-36-/t48-/m1/s1
HMDB08660	PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27-28,32,34,44H,6-13,15,18,22,25-26,29-31,33,35-43H2,1-5H3/b16-14-,19-17-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1
HMDB08661	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,28,30,34,36,46H,6-13,15,17-19,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b16-14-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1
HMDB08662	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,28,30,34,36,46H,6-13,15,18,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1
HMDB08663	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,28,30,34,36,46H,6-13,15,17-19,23,27,29,31-33,35,37-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
HMDB08664	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,28,30,34,36,46H,6-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
HMDB08665	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,28,30-31,33-34,36,46H,6-13,18-19,23,27,29,32,35,37-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-,36-34-/t46-/m1/s1
HMDB08666	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30,34,36,46H,6-8,10,12-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
HMDB08667	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30-31,33-34,36,46H,6-8,10,12-13,18-19,23,27,29,32,35,37-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-,36-34-/t46-/m1/s1
HMDB53694	TG(20:3n6/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,32,34,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-
HMDB08598	PC(22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,26,46H,6-13,18-19,23-25,27-45H2,1-5H3/b16-14-,17-15-,22-20-,26-21-/t46-/m1/s1
HMDB08599	PC(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,26,31,33,46H,6-13,18-19,23-25,27-30,32,34-45H2,1-5H3/b16-14-,17-15-,22-20-,26-21-,33-31-/t46-/m1/s1
HMDB08596	PC(22:2(13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,46H,6-13,15,18,21,23-45H2,1-5H3/b16-14-,19-17-,22-20-/t46-/m1/s1
HMDB08597	PC(22:2(13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,26,46H,6-13,15,17-19,23-25,27-45H2,1-5H3/b16-14-,22-20-,26-21-/t46-/m1/s1
HMDB08594	PC(22:2(13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,44H,6-13,15,18,22-43H2,1-5H3/b16-14-,19-17-,21-20-/t44-/m1/s1
HMDB08595	PC(22:2(13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,46H,6-13,15,17-19,21,23-45H2,1-5H3/b16-14-,22-20-/t46-/m1/s1
HMDB08592	PC(22:2(13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C45H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,43H,6-13,15,17-19,22-42H2,1-5H3/b16-14-,21-20-/t43-/m1/s1
HMDB08593	PC(22:2(13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16,20-21,44H,6-13,15,17-19,22-43H2,1-5H3/b16-14-,21-20-/t44-/m1/s1
HMDB08590	PC(22:2(13Z,16Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h14,16,19-20,42H,6-13,15,17-18,21-41H2,1-5H3/b16-14-,20-19-/t42-/m1/s1
HMDB08591	PC(22:2(13Z,16Z)/14:1(9Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13-16,19-20,42H,6-12,17-18,21-41H2,1-5H3/b15-13-,16-14-,20-19-/t42-/m1/s1
HMDB35028	2-Heptanol, 9CI; (x)-form, O-b-D-Glucopyranoside	CCCCCC(C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C13H26O6/c1-3-4-5-6-8(2)18-13-12(17)11(16)10(15)9(7-14)19-13/h8-17H,3-7H2,1-2H3
HMDB35029	Dehydrocyanaropicrin	OCC(=C)C(=O)OC1CC(=C)C2CC(=O)C(=C)C2C2OC(=O)C(=C)C12	InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2
HMDB38018	4,11-Eudesmanediol; (4a,5a)-form, 11-O-a-L-Rhamnopyranoside	CC1OC(OC(C)(C)C2CCC3(C)CCCC(C)(O)C3C2)C(O)C(O)C1O	InChI=1S/C21H38O6/c1-12-15(22)16(23)17(24)18(26-12)27-19(2,3)13-7-10-20(4)8-6-9-21(5,25)14(20)11-13/h12-18,22-25H,6-11H2,1-5H3
HMDB38019	3-Hydroxy-12,19(29)-ursadien-28-oic acid; 3b-form, 3-O-a-L-Arabinopyranoside, 28-O-b-D-glucopyranosyl ester	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1=C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,20,23-35,42-48H,2,9-19H2,1,3-7H3
HMDB35022	Prulaurasin	OC[C@H]1O[C@@H](OC(C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1
HMDB35023	5,7-Dihydroxy-4'-methoxyflavone, 8CI; 7-O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C=C2O1	InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)17-8-16(30)20-15(29)6-14(7-18(20)40-17)39-25-23(33)22(32)21(31)19(41-25)9-37-26-24(34)27(35,10-28)11-38-26/h2-8,19,21-26,28-29,31-35H,9-11H2,1H3
HMDB35020	Acolamone	[H][C@]12C(=C)CCC[C@]1(C)CC[C@@H](C(C)C)C2=O	InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13+,15+/m0/s1
HMDB35021	(-)-Pacifigorgiol	CC1CCC2(O)C1CCC(C)C2C=C(C)C	InChI=1S/C15H26O/c1-10(2)9-14-11(3)5-6-13-12(4)7-8-15(13,14)16/h9,11-14,16H,5-8H2,1-4H3
HMDB38010	Malvidin 3-galactoside	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1O)C(O)=CC(O)=C2	InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1
HMDB38011	Malvidin 3-(6-coumaroylglucoside) 5-glucoside	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1
HMDB35024	16-Kauren-19-ol; ent-form, Ac	CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4=C)CCC12	InChI=1S/C22H34O2/c1-15-12-22-11-8-18-20(3,14-24-16(2)23)9-5-10-21(18,4)19(22)7-6-17(15)13-22/h17-19H,1,5-14H2,2-4H3
HMDB35025	2,6-Dimethyl-2,6-octadiene-1,8-diol; (2E,6E)-form, 8-O-b-D-Glucopyranoside	C\C(CO)=C\CC\C(C)=C\COC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5-
HMDB58171	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-39,41,44,46-47,50-52,56,58-59,62-63,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,48-49,53-55,57,60-61,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-/t83?,84-,85-/m1/s1
HMDB58170	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-35,37-39,41,44,46-47,50-52,56,58-59,62-64,68,83-85,90H,5-20,24,29-31,36,40,42-43,45,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB58173	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB58172	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-39,41,44,46-47,50-52,56,58-59,62-64,68,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB58175	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,41,44,47-48,50-52,54,59-60,62-64,66,83-85,90H,5-20,24,29-31,36,40,42-43,45-46,49,53,55-58,61,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB58174	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,40,42,44,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,28-30,32,35,39,41,43,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB58177	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,64-65,68,85-87,92H,5-9,11-13,15-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-63,66-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-/t85?,86-,87-/m1/s1
HMDB58176	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58179	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB58178	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB44389	TG(16:0/22:2(13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19,25-26,54H,4-15,17-18,20-24,27-53H2,1-3H3/b19-16-,26-25-
HMDB44388	TG(16:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,39,42,55H,4-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,33-30-,42-39-
HMDB44383	TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,35,38-39,42,54H,4-7,9-10,12-15,18,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB44382	TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,39,42,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,42-39-
HMDB44381	TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-15,18,21-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB44380	TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34,36-37,39,43,46,58H,4-15,18,21-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB44387	TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,8-9,11-15,18,21-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB44386	TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34,36-37,39,43,46,58H,4-6,8-9,11-15,18,21-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB44385	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB44384	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB15248	Trimethaphan	O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1	InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1
HMDB15249	Atovaquone	OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O	InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-
HMDB34649	Soyasaponin I	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)
HMDB34648	Soyasapogenol B	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3
HMDB15240	Trilostane	[H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)=C2O	InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
HMDB15241	Heparin	<smiles/>	InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
HMDB15242	Miconazole	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1	InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
HMDB15243	Colistimethate	CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS([O-])(=O)=O)NC1=O)C(C)O	InChI=1S/C58H110N16O28S5/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)/p-5
HMDB15244	Cefuroxime	[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O	InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
HMDB15245	Papaverine	COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1	InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
HMDB34643	Longispinogenin	CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1	InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3
HMDB15247	Nifedipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC	InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
HMDB50652	TG(20:1(11Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35,38,40-41,43,62H,4-15,17,20,22-24,31,33-34,36-37,39,42,44-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-
HMDB29742	3-Isopropyl-2-methoxy-5-methylpyrazine	COC1=NC=C(C)N=C1C(C)C	InChI=1S/C9H14N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h5-6H,1-4H3
HMDB29743	9H-Carbazole-3-carboxaldehyde	O=CC1=CC2=C(NC3=CC=CC=C23)C=C1	InChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-8,14H
HMDB29740	1H-Indole-3-methanamine	NCC1=CNC2=CC=CC=C12	InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
HMDB29741	2-Isopropyl-3,5-dimethoxy-6-methylpyrazine	COC1=NC(OC)=C(C)N=C1C(C)C	InChI=1S/C10H16N2O2/c1-6(2)8-10(14-5)12-9(13-4)7(3)11-8/h6H,1-5H3
HMDB29746	3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole	CC1=C2C(NC3=CC=CC=C23)=C(C)C(N)=N1	InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)
HMDB29747	2-Amino-5-phenylpyridine	NC1=NC=C(C=C1)C1=CC=CC=C1	InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
HMDB29744	Methyl 3-carbazolecarboxylate	COC(=O)C1=CC2=C(NC3=CC=CC=C23)C=C1	InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3
HMDB29745	Fenbendazole	COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=CC=C1)=C2	InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
HMDB29748	2-Aminodipyrido[1,2-a:3',2'-d]imidazole	NC1=NC2=C(C=C1)N=C1C=CC=CN21	InChI=1S/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)
HMDB29749	2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole	CC1=CC=CN2C1=NC1=C2N=C(N)C=C1	InChI=1S/C11H10N4/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15/h2-6H,1H3,(H2,12,14)
HMDB37459	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-b-D-Glucuronopyranoside	COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C=C1OC1OC(C(O)C(O)C1O)C(O)=O	InChI=1S/C22H20O13/c1-32-19-13(34-22-18(29)16(27)17(28)20(35-22)21(30)31)6-12-14(15(19)26)10(25)5-11(33-12)7-2-3-8(23)9(24)4-7/h2-6,16-18,20,22-24,26-29H,1H3,(H,30,31)
HMDB37458	5-Hydroxy-4',7,8-trimethoxyflavone	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2O	InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)14-8-12(19)16-13(20)9-15(22-2)17(23-3)18(16)24-14/h4-9,20H,1-3H3
HMDB39835	2-(2-Furanyl)piperidine	C1CCC(NC1)C1=CC=CO1	InChI=1S/C9H13NO/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7-8,10H,1-2,4,6H2
HMDB39834	2-(1-Pyrrolidinyl)-3-pentanone	CCC(=O)C(C)N1CCCC1	InChI=1S/C9H17NO/c1-3-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3
HMDB39837	2-(2-Furanyl)-3-piperidinol	OC1CCCNC1C1=CC=CO1	InChI=1S/C9H13NO2/c11-7-3-1-5-10-9(7)8-4-2-6-12-8/h2,4,6-7,9-11H,1,3,5H2
HMDB39836	2-(5-Methyl-2-furanyl)piperidine	CC1=CC=C(O1)C1CCCCN1	InChI=1S/C10H15NO/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6,9,11H,2-4,7H2,1H3
HMDB39831	6,7-Dihydro-2,5-dimethyl-5H-cyclopentapyrazine	CC1CCC2=NC(C)=CN=C12	InChI=1S/C9H12N2/c1-6-3-4-8-9(6)10-5-7(2)11-8/h5-6H,3-4H2,1-2H3
HMDB39830	Sativoside R1	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(OC2OCC(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C62H104O33/c1-22(20-83-54-46(78)42(74)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-57-49(81)52(93-55-45(77)37(69)29(68)21-84-55)50(35(19-67)90-57)91-59-53(44(76)40(72)33(17-65)89-59)94-58-48(80)51(41(73)34(18-66)88-58)92-56-47(79)43(75)39(71)32(16-64)87-56/h22-59,63-82H,5-21H2,1-4H3
HMDB39833	3-(1-Pyrrolidinyl)-2-pentanone	CCC(N1CCCC1)C(C)=O	InChI=1S/C9H17NO/c1-3-9(8(2)11)10-6-4-5-7-10/h9H,3-7H2,1-2H3
HMDB39832	6,7-Dihydro-2,6-dimethyl-5H-cyclopentapyrazine	CC1CC2=NC=C(C)N=C2C1	InChI=1S/C9H12N2/c1-6-3-8-9(4-6)11-7(2)5-10-8/h5-6H,3-4H2,1-2H3
HMDB39839	1-(1-Pyrrolidinyl)-2-butanone	CCC(=O)CN1CCCC1	InChI=1S/C8H15NO/c1-2-8(10)7-9-5-3-4-6-9/h2-7H2,1H3
HMDB39838	2-(5-Methyl-2-furanyl)-3-piperidinol	CC1=CC=C(O1)C1NCCCC1O	InChI=1S/C10H15NO2/c1-7-4-5-9(13-7)10-8(12)3-2-6-11-10/h4-5,8,10-12H,2-3,6H2,1H3
HMDB45160	TG(18:0/20:3n6/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,32,35,56H,4-15,17-18,21-22,24,26-27,29-31,33-34,36-55H2,1-3H3/b19-16-,23-20-,28-25-,35-32-
HMDB45161	TG(18:0/20:3n6/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30,32,35,56H,4-15,17-18,20-24,27,29,31,33-34,36-55H2,1-3H3/b19-16-,28-25-,30-26-,35-32-
HMDB45162	TG(18:0/20:3n6/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,58H,4-16,18-19,21-24,27,30-33,35-36,38-57H2,1-3H3/b20-17-,28-25-,29-26-,37-34-
HMDB45163	TG(18:0/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33-34,36-37,42,45,58H,4-16,18-19,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB45164	TG(18:0/20:3n6/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,60H,4-16,18-19,21-24,27,30-35,37-38,40-59H2,1-3H3/b20-17-,28-25-,29-26-,39-36-
HMDB45165	TG(18:0/20:3n6/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,62H,4-16,18-19,21-24,27,30-37,39-40,42-61H2,1-3H3/b20-17-,28-25-,29-26-,41-38-
HMDB45166	TG(18:0/20:3n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,36,57H,4-15,17-18,21-22,24,26-27,30-31,34-35,37-56H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,36-33-
HMDB45167	TG(18:0/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,32,35-36,39,56H,4-15,18,21-24,27,29,31,33-34,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,35-32-,39-36-
HMDB45168	TG(18:0/20:3n6/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,36,57H,4-13,15,18,20-22,24,27,29-32,34-35,37-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,36-33-
HMDB45169	TG(18:0/20:3n6/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,58H,4-15,18,21-24,27,30-32,35,38-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB55005	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,40-45,49-54,64H,4-15,18,21-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB49836	TG(18:1(9Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36-37,40,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,38-39,41-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,40-37-
HMDB49837	TG(18:1(9Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36-37,40,46,49,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,40-37-,49-46-
HMDB04898	Ganglioside GA2 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C63H118N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-51(71)65-46(47(70)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)44-78-62-57(76)55(74)60(49(42-67)80-62)83-63-58(77)56(75)59(50(43-68)81-63)82-61-52(64-45(3)69)54(73)53(72)48(41-66)79-61/h37,39,46-50,52-63,66-68,70,72-77H,4-36,38,40-44H2,1-3H3,(H,64,69)(H,65,71)/b39-37+/t46-,47+,48+,49+,50+,52+,53-,54+,55+,56+,57?,58+,59-,60+,61-,62+,63-/m0/s1
HMDB49832	TG(18:1(9Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,38,42,45,64H,4-16,18-19,21-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b20-17-,29-26-,36-34-,38-27-,45-42-
HMDB49831	TG(18:1(9Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,38,64H,4-16,18-19,21-25,28,30-37,39-63H2,1-3H3/b20-17-,29-26-,38-27-
HMDB52432	TG(18:2(9Z,12Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,36,38,57H,4-15,17-18,21-22,24,26,29,33-35,37,39-56H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,38-36-
HMDB52433	TG(18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,36,38,44,47,57H,4-15,17-18,21-22,24,26,29,33-35,37,39-43,45-46,48-56H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,38-36-,47-44-
HMDB52430	TG(18:2(9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,34,39,42,55H,4-15,17-18,21-22,24,26,29,32-33,35-38,40-41,43-54H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,34-31-,42-39-
HMDB52431	TG(18:2(9Z,12Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,32,57H,4-15,17-18,21-22,24,26,29-31,33-56H2,1-3H3/b19-16-,23-20-,27-25-,32-28-
HMDB52436	TG(18:2(9Z,12Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,34,55H,4-6,8-9,11-15,17-18,21-22,24,26,29,32-33,35-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,34-31-
HMDB49838	TG(18:1(9Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,38,42,45,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,38-27-,45-42-
HMDB04894	Ganglioside GA2 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(70)64-45(46(69)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-77-61-56(75)54(73)59(48(41-66)79-61)82-62-57(76)55(74)58(49(42-67)80-62)81-60-51(63-44(3)68)53(72)52(71)47(40-65)78-60/h18-19,36,38,45-49,51-62,65-67,69,71-76H,4-17,20-35,37,39-43H2,1-3H3,(H,63,68)(H,64,70)/b19-18-,38-36+/t45-,46+,47+,48+,49+,51+,52-,53+,54+,55+,56?,57+,58-,59+,60-,61+,62-/m0/s1
HMDB10618	PG(18:1(11Z)/18:1(11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39-40,43-44H,3-12,17-38H2,1-2H3,(H,47,48)/b15-13-,16-14-/t39-,40+/m0/s1
HMDB10619	PG(18:1(11Z)/18:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,39-40,43-44H,3-12,14,16-17,19,21-38H2,1-2H3,(H,47,48)/b15-13-,20-18-/t39-,40+/m0/s1
HMDB10610	PG(18:0/20:4(5Z,8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41-42,45-46H,3-10,12,14-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,24-22-,30-28-/t41-,42+/m0/s1
HMDB10611	PG(18:0/22:4(7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H83O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,43-44,47-48H,3-10,12,14-16,18,20,23-25,27,29-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,28-26-/t43-,44+/m0/s1
HMDB10612	PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,43-44,47-48H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10613	PG(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,43-44,47-48H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-/t43-,44+/m0/s1
HMDB10614	PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10615	PG(18:1(11Z)/16:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1
HMDB10616	PG(18:1(11Z)/16:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,37-38,41-42H,3-12,17-36H2,1-2H3,(H,45,46)/b15-13-,16-14-/t37-,38+/m0/s1
HMDB10617	PG(18:1(11Z)/18:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39-40,43-44H,3-12,14,16-38H2,1-2H3,(H,47,48)/b15-13-/t39-,40+/m0/s1
HMDB07104	DG(16:0/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,35,38H,3-10,12,14-16,19-21,23,25-34H2,1-2H3/b13-11-,18-17-,24-22-/t35-/m0/s1
HMDB07105	DG(16:0/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38H,3-4,6,8-10,12,14-16,19-34H2,1-2H3/b7-5-,13-11-,18-17-/t35-/m0/s1
HMDB07106	DG(16:0/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,22,24,35,38H,3-4,6,8-10,12,14-16,19-21,23,25-34H2,1-2H3/b7-5-,13-11-,18-17-,24-22-/t35-/m0/s1
HMDB07107	DG(16:0/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
HMDB07100	DG(16:0/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1
HMDB07101	DG(16:0/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35,38H,3-12,14,16-34H2,1-2H3/b15-13-/t35-/m0/s1
HMDB07102	DG(16:0/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1
HMDB07103	DG(16:0/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38H,3-10,12,14-16,19-34H2,1-2H3/b13-11-,18-17-/t35-/m0/s1
HMDB07108	DG(16:0/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,37,40H,3-16,19-36H2,1-2H3/b18-17-/t37-/m0/s1
HMDB07109	DG(16:0/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37-/m0/s1
HMDB59352	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,69-71,73,88-90,95H,5-8,10-12,14-20,24,29-31,36,41-43,51-53,56,60,62-65,68,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB59353	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-8,10-12,14-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59350	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,10-12,14-20,24,29-31,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59351	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,10-12,14-20,24,28-32,40-42,50-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59356	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,10,12,14,16-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB59357	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h11-12,15-16,21-28,33-40,45-52,57-64,69-70,73-74,91-93,98H,5-10,13-14,17-20,29-32,41-44,53-56,65-68,71-72,75-90H2,1-4H3,(H,103,104)(H,105,106)/b15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-/t92-,93-/m1/s1
HMDB46309	TG(22:0/16:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB59354	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,10-12,14-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB46308	TG(22:0/16:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-
HMDB59355	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,45-52,57-64,69-70,72-74,76,91-93,98H,5-8,10,12,14,16-20,29-32,41-44,53-56,65-68,71,75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,76-72-/t91?,92-,93-/m1/s1
HMDB42310	TG(14:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-
HMDB48558	TG(16:1(9Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,35,40,43,62H,4-16,18-19,22-23,25,27,29-32,34,36-39,41-42,44-61H2,1-3H3/b20-17-,24-21-,28-26-,35-33-,43-40-
HMDB46305	TG(22:0/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB48559	TG(16:1(9Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,35,40,43,49,52,62H,4-16,18-19,22-23,25,27,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b20-17-,24-21-,28-26-,35-33-,43-40-,52-49-
HMDB46304	TG(22:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,37,40,45,48,59H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-37-,48-45-
HMDB14979	Dobutamine	CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1	InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
HMDB48556	TG(16:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,35,38,44,47,60H,4-16,18-19,22-23,25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,28-26-,38-35-,47-44-
HMDB48557	TG(16:1(9Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,62H,4-16,18-19,22-23,25,27,29-61H2,1-3H3/b20-17-,24-21-,28-26-
HMDB14971	Cefaclor	[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O	InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
HMDB14970	Phensuximide	CN1C(=O)CC(C1=O)C1=CC=CC=C1	InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
HMDB14972	Mifepristone	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
HMDB14975	Progabide	NC(=O)CCCN\C(C1=CC=C(Cl)C=C1)=C1/C=C(F)C=CC1=O	InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,21H,1-2,9H2,(H2,20,23)/b17-14+
HMDB14977	Tolazamide	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1	InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
HMDB14976	Clocortolone	[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C	InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1
HMDB00455	Allocystathionine	N[C@@H](CCSCC(N)C(O)=O)C(O)=O	InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5?/m0/s1
HMDB00453	Delta-Hexanolactone	CC1CCCC(=O)O1	InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
HMDB00452	L-Alpha-aminobutyric acid	CC[C@H](N)C(O)=O	InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
HMDB00451	cis-4-Hydroxycyclohexylacetic acid	OC1CCC(CC(O)=O)CC1	InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)
HMDB00450	5-Hydroxylysine	NC[C@H](O)CC[C@H](N)C(O)=O	InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
HMDB00459	3-Methylcrotonylglycine	CC(C)=CC(=O)NCC(O)=O	InChI=1S/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)
HMDB00458	5a-Androstane-3a,17a-diol	[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17+,18-,19-/m0/s1
HMDB49200	TG(18:1(11Z)/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,62H,4-20,22-23,25,27-28,30-61H2,1-3H3/b24-21-,29-26-
HMDB44919	TG(18:0/18:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24-25,28,56H,4-20,22-23,26-27,29-55H2,1-3H3/b24-21-,28-25-
HMDB49205	TG(18:1(11Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,34,40,43,60H,4-16,18-19,22-23,25,27-33,35-39,41-42,44-59H2,1-3H3/b20-17-,24-21-,34-26-,43-40-
HMDB49204	TG(18:1(11Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,36,61H,4-19,22,25-28,30-35,37-60H2,1-3H3/b23-20-,24-21-,36-29-
HMDB11222	PC(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1
HMDB11223	PC(P-16:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h38,41,45H,6-37,39-40,42-44H2,1-5H3/b41-38-/t45-/m1/s1
HMDB11220	PC(P-16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1
HMDB11221	PC(P-16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,39-36-/t43-/m1/s1
HMDB11226	PC(P-16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,38,41,45H,6-13,15,17-19,21,23,26,28,30-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,41-38-
HMDB11227	PC(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,33,35,38,41,45H,6-13,15,17-19,21,23,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,35-33-,41-38-/t45-/m1/s1
HMDB11224	PC(P-16:0/22:1(13Z))	CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38-
HMDB11225	PC(P-16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,38,41,45H,6-13,15,17-19,21,23-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,41-38-
HMDB11228	PC(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,38,41,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,41-38-/t45-/m1/s1
HMDB11229	PC(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,38,41,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-,41-38-
HMDB44913	TG(18:0/18:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB52305	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,39,44,47,62H,4-8,10-11,13-16,19,22-24,30-35,38,40-43,45-46,48-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-
HMDB52307	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,46,49,64H,4-8,10-11,13-16,19,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-,49-46-
HMDB44915	TG(18:0/18:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,50H,4-14,16-17,19,21-22,24-49H2,1-3H3/b18-15-,23-20-
HMDB47871	TG(14:1(9Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,32,37,40,56H,4-14,16,19,21-24,26-31,33-36,38-39,41-55H2,1-3H3/b18-15-,20-17-,32-25-,40-37-
HMDB54227	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,44-45,47-48,60H,4-6,8-9,11-15,22-24,31-33,40-43,46,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB54226	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-38,41-43,45-46,58H,4-8,10-11,13-15,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB54220	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42,45,59H,4-15,18,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB53310	TG(20:2n6/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,29,35,38,55H,4-7,9-10,12,14-15,18-19,21,23-24,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,29-26-,38-35-
HMDB53311	TG(20:2n6/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,35,57H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34,36-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,35-33-
HMDB53312	TG(20:2n6/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,35,41,44,57H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,35-33-,44-41-
HMDB53313	TG(20:2n6/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,31-32,37,40,59H,4-6,8-9,11-13,15,18,20-22,24,27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,40-37-
HMDB53314	TG(20:2n6/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,31-32,37,40,46,49,59H,4-6,8-9,11-13,15,18,20-22,24,27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,40-37-,49-46-
HMDB53315	TG(20:2n6/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h13,16,22,25,56H,4-12,14-15,17-21,23-24,26-55H2,1-3H3/b16-13-,25-22-
HMDB53316	TG(20:2n6/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,23-24,26-27,58H,4-13,16,19-22,25,28-57H2,1-3H3/b17-14-,18-15-,26-23-,27-24-
HMDB53317	TG(20:2n6/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,34,37,59H,4-14,17,20-23,26,29-33,35-36,38-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,37-34-
HMDB53318	TG(20:2n6/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,34,37,43,46,59H,4-14,17,20-23,26,29-33,35-36,38-42,44-45,47-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,37-34-,46-43-
HMDB53319	TG(20:2n6/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,61H,4-14,17,20-23,26,29-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-
HMDB49263	TG(18:1(11Z)/18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20-21,23-25,28,56H,4-19,22,26-27,29-55H2,1-3H3/b23-20-,24-21-,28-25-
HMDB49262	TG(18:1(11Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,21-22,24,26,29,54H,4-18,20,23,25,27-28,30-53H2,1-3H3/b22-19-,24-21-,29-26-
HMDB49261	TG(18:1(11Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,54H,4-18,25-53H2,1-3H3/b22-19-,23-20-,24-21-
HMDB49260	TG(18:1(11Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,53H,4-19,22,25-52H2,1-3H3/b23-20-,24-21-
HMDB49267	TG(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,28,31,55H,4-18,25-27,29-30,32-54H2,1-3H3/b22-19-,23-20-,24-21-,31-28-
HMDB49266	TG(18:1(11Z)/18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20-21,23-25,28,60H,4-19,22,26-27,29-59H2,1-3H3/b23-20-,24-21-,28-25-
HMDB49265	TG(18:1(11Z)/18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20-21,23-25,28,58H,4-19,22,26-27,29-57H2,1-3H3/b23-20-,24-21-,28-25-
HMDB49264	TG(18:1(11Z)/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20-21,23-25,28,32,34,40,43,56H,4-19,22,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b23-20-,24-21-,28-25-,34-32-,43-40-
HMDB49269	TG(18:1(11Z)/18:1(11Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20-25,55H,4-12,14-15,17-19,26-54H2,1-3H3/b16-13-,23-20-,24-21-,25-22-
HMDB49268	TG(18:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,34,37,54H,4-15,17-18,22,26-27,29-33,35-36,38-53H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,37-34-
HMDB50959	TG(20:3(5Z,8Z,11Z)/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,36-37,39-40,45-46,48-49,62H,4-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB50958	TG(20:3(5Z,8Z,11Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,33,36,42,45,59H,4-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b28-25-,36-33-,45-42-
HMDB54229	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB54228	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,60H,4-6,8-9,11-15,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB49361	TG(18:1(11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,35,38,60H,4-7,9-10,12-16,18-19,22-23,27,30-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,38-35-
HMDB56437	CL(16:0/16:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C76H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,29,34-35,70-72,77H,5-24,26-28,30-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,35-34-/t70?,71-,72-/m1/s1
HMDB50413	TG(20:1(11Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h26,29,61H,4-25,27-28,30-60H2,1-3H3/b29-26-
HMDB49849	TG(18:1(9Z)/14:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-29,31,52H,4-14,17,20-23,27,30,32-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,31-29-
HMDB06078	Putreanine	[NH3+]CCCCNCCC(O)=O	InChI=1S/C7H16N2O2/c8-4-1-2-5-9-6-3-7(10)11/h9H,1-6,8H2,(H,10,11)/p+1
HMDB49847	TG(18:1(9Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,31,33,50H,4-14,17,20-23,28-30,32,34-49H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,33-31-
HMDB49846	TG(18:1(9Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,25-28,51H,4-14,16-17,20-21,23-24,29-50H2,1-3H3/b18-15-,22-19-,27-25-,28-26-
HMDB49845	TG(18:1(9Z)/14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,24-26,32,56H,4-14,16-17,19-23,27-31,33-55H2,1-3H3/b18-15-,26-24-,32-25-
HMDB49844	TG(18:1(9Z)/14:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,24-26,30,54H,4-14,16-17,19-23,27-29,31-53H2,1-3H3/b18-15-,26-24-,30-25-
HMDB49843	TG(18:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28-29,31,36,39,52H,4-14,16-17,19-23,27,30,32-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,28-25-,31-29-,39-36-
HMDB49842	TG(18:1(9Z)/14:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28,52H,4-14,16-17,19-23,27,29-51H2,1-3H3/b18-15-,26-24-,28-25-
HMDB49841	TG(18:1(9Z)/14:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,50H,4-14,16-17,19-23,28-49H2,1-3H3/b18-15-,26-24-,27-25-
HMDB06070	Pregnanetriol	[H][C@@]12CC[C@](O)(C(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
HMDB30003	(E)-3-Hexen-1-ol	CC\C=C/CCO	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
HMDB30002	(-)-Nopol	CC1(C)C2CC1C(CCO)=CC2	InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3
HMDB30001	2-Acetyl-3-methylpyrazine	CC(=O)C1=NC=CN=C1C	InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3
HMDB30000	Bissulfine	CC(C=S=O)C(C)C=S=O	InChI=1S/C6H10O2S2/c1-5(3-9-7)6(2)4-10-8/h3-6H,1-2H3
HMDB30007	2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene	CC1(C)OC2(OC(C)(C)C=C2)C=C1	InChI=1S/C11H16O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5-8H,1-4H3
HMDB30006	2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene	CC1(C)CCC2(O1)OC(C)(C)C=C2	InChI=1S/C11H18O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5,7H,6,8H2,1-4H3
HMDB30005	Austalide A	COC1=C2CC3C(C)(CC(OC(C)=O)C45OC(CCC34C)(OC)OC5(C)C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C28H36O9/c1-14-17-13-33-23(30)20(17)22(31-7)16-11-18-25(5)9-10-27(32-8)36-24(3,4)28(25,37-27)19(34-15(2)29)12-26(18,6)35-21(14)16/h18-19H,9-13H2,1-8H3
HMDB30004	Austalide B	COC1=C2CC3C(C)(CC(O)C45OC(CCC34C)(OC)OC5(C)C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C26H34O8/c1-13-15-12-31-21(28)18(15)20(29-6)14-10-16-23(4)8-9-25(30-7)33-22(2,3)26(23,34-25)17(27)11-24(16,5)32-19(13)14/h16-17,27H,8-12H2,1-7H3
HMDB30009	3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin	CC(C)=CCCC1=CCSSC1	InChI=1S/C10H16S2/c1-9(2)4-3-5-10-6-7-11-12-8-10/h4,6H,3,5,7-8H2,1-2H3
HMDB30008	d-Tocotrienol	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC(C)=C2O1	InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+
HMDB56449	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,28,32-34,36,40,46,50,71-73,78H,5-20,22-24,26-27,29-31,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,32-28-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1
HMDB56448	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,33,35,38,41,48,52,73-75,80H,5-20,22-24,26-32,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB56447	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,33-34,36,40,46,50,71-73,78H,5-20,22-24,26-32,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1
HMDB56446	CL(16:0/16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB56445	CL(16:0/16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1
HMDB56444	CL(16:0/16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB56443	CL(16:0/16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-36-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-39,43,51,55,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-42,44-50,52-54,56-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,43-39-,55-51-/t74?,75-,76-/m1/s1
HMDB56442	CL(16:0/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h25-26,29-30,35-38,73-75,80H,5-24,27-28,31-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB56441	CL(16:0/16:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB56440	CL(16:0/16:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1
HMDB03166	16b-Hydroxystanozolol	[H][C@@]12C[C@H](O)[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C=NN3	InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)8-13(19)4-5-14-15(19)6-7-20(2)16(14)9-18(24)21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15-,16-,18-,19-,20-,21-/m0/s1
HMDB03164	Chlorogenic acid	O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
HMDB03162	7-Methylhypoxanthine	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)[C@H]1O	InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)25-35(41)38(44)40(33,9)10)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)37(43)36(42)26-39(34,7)8/h11-24,35-36,38,41-42,44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36+,38+/m1/s1
HMDB34195	Convalloside	CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3
HMDB34194	Jurubine	CC(CCC1(O)OC2CC3C4CCC5CC(N)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C33H57NO8/c1-17(16-40-30-29(38)28(37)27(36)25(15-35)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(34)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,35-39H,5-16,34H2,1-4H3
HMDB28800	Glutaminyl-Isoleucine	CCC(C)C(N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)
HMDB28801	Glutaminyl-Leucine	CC(C)CC(N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C11H21N3O4/c1-6(2)5-7(12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)
HMDB28806	Glutaminyl-Serine	NC(CO)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C8H15N3O5/c9-4(3-12)7(14)11-5(8(15)16)1-2-6(10)13/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)
HMDB28807	Glutaminyl-Threonine	CC(O)C(N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C9H17N3O5/c1-4(13)7(11)8(15)12-5(9(16)17)2-3-6(10)14/h4-5,7,13H,2-3,11H2,1H3,(H2,10,14)(H,12,15)(H,16,17)
HMDB28804	Glutaminyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C14H19N3O4/c15-10(8-9-4-2-1-3-5-9)13(19)17-11(14(20)21)6-7-12(16)18/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)
HMDB28805	Glutaminyl-Proline	NC(=O)CCC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)
HMDB05869	3,3'-Diiodothyronine	N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C=C1)C(O)=O	InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m1/s1
HMDB05862	2-Methylguanosine	CNC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1
HMDB58257	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,28-30,32,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB31839	Ginsenoside F5	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C	InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-51-35-32(49)29(46)24(18-42)52-35)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)23(44)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3
HMDB31838	Asparagoside E	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H76O19/c1-19(18-58-40-36(54)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-38(56)39(33(51)29(17-48)62-42)63-41-37(55)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3
HMDB57157	CL(18:0/18:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,35,38,73-75,80H,5-24,26-27,30-31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-,38-35-/t73?,74-,75-/m1/s1
HMDB31835	Asparagoside C	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)CO1	InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-33(46)34(30(43)27(16-41)50-36)51-35-32(45)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3
HMDB31834	()-2,6-Dimethyl-5-heptenal	CC(CCC=C(C)C)C=O	InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
HMDB31837	3-O-trans-Feruloyleuscaphic acid	COC1=C(O)C=CC(\C=C\C(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)(O)C(C)CCC5(CCC43C)C(O)=O)C2(C)C)=C1	InChI=1S/C40H56O8/c1-23-15-18-40(34(44)45)20-19-37(5)25(32(40)39(23,7)46)11-13-30-36(4)22-27(42)33(35(2,3)29(36)16-17-38(30,37)6)48-31(43)14-10-24-9-12-26(41)28(21-24)47-8/h9-12,14,21,23,27,29-30,32-33,41-42,46H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+
HMDB31836	Asparagoside D	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)CO1	InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-37(55)39(62-41-36(54)34(52)32(50)28(16-47)59-41)38(29(17-48)60-42)61-40-35(53)33(51)31(49)27(15-46)58-40/h19-42,46-55H,5-18H2,1-4H3
HMDB31831	(20E)-Ginsenoside F4	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(\C)=C\CC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12+
HMDB31830	Ginsenoside Rg5	CC(C)=CC\C=C(\C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C42H70O12/c1-21(2)10-9-11-22(3)23-12-16-42(8)30(23)24(45)18-28-40(6)15-14-29(39(4,5)27(40)13-17-41(28,42)7)53-38-36(34(49)32(47)26(20-44)52-38)54-37-35(50)33(48)31(46)25(19-43)51-37/h10-11,23-38,43-50H,9,12-20H2,1-8H3/b22-11-
HMDB31833	Tiazuril	CC1=CC(=CC(C)=C1SC1=CC=C(Cl)C=C1)N1N=CC(=O)NC1=O	InChI=1S/C17H14ClN3O2S/c1-10-7-13(21-17(23)20-15(22)9-19-21)8-11(2)16(10)24-14-5-3-12(18)4-6-14/h3-9H,1-2H3,(H,20,22,23)
HMDB31832	Methyl methanethiosulfonate	CSS(C)(=O)=O	InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
HMDB50135	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-33,37-38,40-41,58H,4-7,9-10,12-15,18,21-24,29,34-36,39,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-
HMDB50134	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-33,37,40,58H,4-7,9-10,12-15,18,21-24,29,34-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-
HMDB50137	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,38-39,42,44,47,60H,4-7,9-10,12-15,18,21-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB50136	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,38-39,42,60H,4-7,9-10,12-15,18,21-24,30,32,36-37,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-
HMDB50131	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,33,35-36,41,44,62H,4-15,18,21-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-
HMDB50130	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,38-39,42,44,47,60H,4-15,18,21-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB50133	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,40-41,43-44,49,52,62H,4-15,18,21-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-
HMDB50132	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,40-41,43-44,62H,4-15,18,21-24,30-31,37-39,42,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-
HMDB58250	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-39,42-45,47,52-53,56-57,65,69,84-86,91H,5-8,10-12,14-20,23-24,29-30,35-36,40-41,46,48-51,54-55,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB50139	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,40-41,43-44,49,52,62H,4-6,8-9,11-15,18,21-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-
HMDB50138	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,40-41,43-44,62H,4-6,8-9,11-15,18,21-24,30-31,37-39,42,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-
HMDB57151	CL(18:0/18:1(9Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32,35,38,73-75,80H,5-27,29-31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,38-35-/t73?,74-,75-/m1/s1
HMDB03831	Beta-Tyrosine	NC(CC(O)=O)C1=CC=C(O)C=C1	InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
HMDB03834	P1,P4-Bis(5'-xanthosyl) tetraphosphate	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(=O)NC3=O)O[C@H]([C@@H]1O)N1C=NC2=C1NC(=O)NC2=O	InChI=1S/C20H26N8O23P4/c29-9-5(47-17(11(9)31)27-3-21-7-13(27)23-19(35)25-15(7)33)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(30)12(32)18(48-6)28-4-22-8-14(28)24-20(36)26-16(8)34/h3-6,9-12,17-18,29-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,33,35)(H2,24,26,34,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
HMDB58251	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,52-53,56-57,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-51,54-55,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-/t84?,85-,86-/m1/s1
HMDB51314	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-36,40,42-43,45,58H,4-6,8,11,13-15,17,20,22-24,30-31,37-39,41,44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,45-42-
HMDB51760	TG(22:1(13Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,41,64H,4-8,10-11,13-16,19,22-24,31-37,39-40,42-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB32333	4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone	CC1(CCC(=O)O1)C=C	InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3
HMDB32332	Hydroxylated lecithin	N[C@@H](CC(=O)NO)C(O)=O	InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
HMDB32331	(Z)-4-Hydroxy-6-dodecenoic acid lactone	CCCCC\C=C/CC1CCC(=O)O1	InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-
HMDB32330	4-Hydroxy-2-butenoic acid gamma-lactone	O=C1OCC=C1	InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
HMDB32337	Hydroxypropyl cellulose	OC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1	InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
HMDB32336	3-Hydroxy-4-phenylbutan-2-one	CC(=O)C(O)CC1=CC=CC=C1	InChI=1S/C10H12O2/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3
HMDB32335	3-Hydroxy-2-octanone	CCCCCC(O)C(C)=O	InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h8,10H,3-6H2,1-2H3
HMDB32334	1-(3-Hydroxy-5-methyl-2-thienyl)ethanone	CC(=O)C1=C(O)C=C(C)S1	InChI=1S/C7H8O2S/c1-4-3-6(9)7(10-4)5(2)8/h3,9H,1-2H3
HMDB01090	5-Diphosphomevalonic acid	C[C@@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O	InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1
HMDB01091	3-Hydroxyquinine	[H][C@]12CCN(C[C@]1(O)C=C)[C@@]([H])(C2)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12	InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/t13-,18+,19-,20-/m1/s1
HMDB01093	5a-Cholesta-8,24-dien-3-one	[H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CCC2CC(=O)CC[C@]12C	InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20?,23-,24+,26+,27-/m1/s1
HMDB01094	Octaprenyl diphosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+
HMDB01095	GDP-L-fucose	C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1
HMDB01096	Carbamoylphosphate	NC(=O)OP(O)(O)=O	InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
HMDB01097	Protoporphyrinogen IX	CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(C=C)=C(CC5=C(C)C(CCC(O)=O)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3	InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)
HMDB45362	TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,47,50,60H,4-7,9-10,12-15,18,21-24,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-
HMDB45363	TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30,32,35,56H,4-6,9,12-15,18,21-24,27,29,31,33-34,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,35-32-
HMDB45360	TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,60H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-
HMDB45361	TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,60H,4-7,9-10,12-15,18,21-24,27,30,32,34-35,37,40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-
HMDB45366	TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42,45,58H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB45367	TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,60H,4-6,9,12-15,18,21-24,27,30,32,34-35,37,40,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-
HMDB45364	TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30,32,35-36,39,56H,4-6,9,12-15,18,21-24,27,29,31,33-34,37-38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-
HMDB45365	TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,58H,4-6,9,12-15,18,21-24,27,30-32,35,38-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB53820	TG(20:3n6/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,61H,4-16,18-19,21-24,27,30-34,36-37,39-60H2,1-3H3/b20-17-,28-25-,29-26-,38-35-
HMDB45368	TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,47,50,60H,4-6,9,12-15,18,21-24,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-
HMDB45369	TG(18:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-56H2,1-3H3/b10-7-,19-16-,28-25-,35-32-
HMDB58085	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37,39-40,42,46,50,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34,36,38,41,43-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,42-35-,50-46-/t79?,80-,81-/m1/s1
HMDB58084	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,45,48,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-/t77?,78-,79-/m1/s1
HMDB36414	Anabsin	CC1C2CCC3(C)OC4(C)C(O)C5C6C7CC(C)(O)CC8C(C)C(=O)OC8C7=C(C)C6C4(C2OC1=O)C35	InChI=1S/C30H40O7/c1-11-14-7-8-28(5)22-19-18-16-10-27(4,34)9-15-12(2)25(32)35-21(15)17(16)13(3)20(18)30(22,24(14)36-26(11)33)29(6,37-28)23(19)31/h11-12,14-16,18-24,31,34H,7-10H2,1-6H3
HMDB09775	PE(24:1(15Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17,19,39,42,46H,3-16,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,42-39-/t46-/m1/s1
HMDB09774	PE(24:1(15Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1
HMDB09777	PE(24:1(15Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17-20,39,42,46H,3-16,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,20-18-,42-39-/t46-/m1/s1
HMDB09776	PE(24:1(15Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42,46H,3-13,15,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,19-17-,42-39-/t46-/m1/s1
HMDB09771	PE(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,28,32,34,38,40,49H,3-5,7,9-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t49-/m1/s1
HMDB09770	PE(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,28,32,34,49H,3-5,7,9-11,13,15-16,21-24,26-27,29-31,33,35-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,28-25-,34-32-/t49-/m1/s1
HMDB09773	PE(24:1(15Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H102NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,51H,3-16,21-50,54H2,1-2H3,(H,57,58)/b19-17-,20-18-/t51-/m1/s1
HMDB09772	PE(24:1(15Z)/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C53H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,51H,3-16,18,20-50,54H2,1-2H3,(H,57,58)/b19-17-/t51-/m1/s1
HMDB09779	PI(16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36-41,44-48H,3-13,15,17-32H2,1-2H3,(H,49,50)/b16-14-/t33-,36?,37-,38?,39?,40?,41-/m1/s1
HMDB09778	PI(16:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36?,37-,38?,39?,40?,41-/m1/s1
HMDB58080	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB01546	CDP	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
HMDB37865	Trialkyloxazoles; 2-Ethyl-4,5-dimethyloxazole, 9CI	CCC1=NC(C)=C(C)O1	InChI=1S/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
HMDB01544	m-Chlorobenzoic acid	OC(=O)C1=CC(Cl)=CC=C1	InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
HMDB37867	5-Ethyl-2,4-dimethyloxazole	CCC1=C(C)N=C(C)O1	InChI=1S/C7H11NO/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3
HMDB01542	N-Acetyllactosamine	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O	InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
HMDB01543	Diguanosine hexaphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1	InChI=1S/C20H31N10O30P7/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(53-17)1-51-61(37,38)55-63(41,42)57-65(45,46)59-67(49,50)60-66(47,48)58-64(43,44)56-62(39,40)52-2-6-10(32)12(34)18(54-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
HMDB37862	5-Butyl-2-ethyloxazole	CCCCC1=CN=C(CC)O1	InChI=1S/C9H15NO/c1-3-5-6-8-7-10-9(4-2)11-8/h7H,3-6H2,1-2H3
HMDB37863	5-Ethyl-4-methyloxazole	CCC1=C(C)N=CO1	InChI=1S/C6H9NO/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3
HMDB58082	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,45,48,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,48-45-/t77?,78-,79-/m1/s1
HMDB37868	2,4-Dimethyl-5-propyloxazole	CCCC1=C(C)N=C(C)O1	InChI=1S/C8H13NO/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3
HMDB37869	4,5-Dimethyl-2-propyloxazole	CCCC1=NC(C)=C(C)O1	InChI=1S/C8H13NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3
HMDB01548	D-Ribose 5-phosphate	OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1
HMDB40466	Notoginsenoside R4	CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-48(76)43(71)40(68)31(83-53)23-79-51-46(74)42(70)39(67)30(82-51)22-78-50-45(73)36(64)27(63)21-77-50)25-11-16-58(7)35(25)26(62)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)84-54-49(44(72)38(66)29(20-61)81-54)85-52-47(75)41(69)37(65)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3
HMDB40467	Pseudoginsenoside Rc1	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C50H84O19/c1-23(2)11-10-15-50(9,69-44-41(62)37(58)34(55)27(20-51)64-44)25-12-17-49(8)33(25)26(54)19-31-47(6)16-14-32(46(4,5)30(47)13-18-48(31,49)7)67-45-42(39(60)35(56)28(21-52)65-45)68-43-40(61)38(59)36(57)29(66-43)22-63-24(3)53/h11,25-45,51-52,54-62H,10,12-22H2,1-9H3
HMDB40464	Dowicide A	[Na+].[O-]C1=CC=CC=C1C1=CC=CC=C1	InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1
HMDB40465	Perilloside B	CC(=C)C1CCC(=CC1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H24O7/c1-8(2)9-3-5-10(6-4-9)15(21)23-16-14(20)13(19)12(18)11(7-17)22-16/h5,9,11-14,16-20H,1,3-4,6-7H2,2H3
HMDB40462	1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 8CI; (1S,2S)-form, g-Lactone, dibutyl ester	CCCCOC(=O)CC1(O)C(OC1=O)C(=O)OCCCC	InChI=1S/C14H22O7/c1-3-5-7-19-10(15)9-14(18)11(21-13(14)17)12(16)20-8-6-4-2/h11,18H,3-9H2,1-2H3
HMDB40463	Ethyl sorbate	CCOC(=O)\C=C\C=C\C	InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
HMDB40460	4-Methylbenzyl alcohol acetate	CC(=O)OCC1=CC=C(C)C=C1	InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3
HMDB40461	1,5-Dibutyl methyl hydroxycitrate	CCCCOC(=O)CC(O)(C(O)C(=O)OCCCC)C(=O)OC	InChI=1S/C15H26O8/c1-4-6-8-22-11(16)10-15(20,14(19)21-3)12(17)13(18)23-9-7-5-2/h12,17,20H,4-10H2,1-3H3
HMDB48673	TG(16:1(9Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,43-40-
HMDB48672	TG(16:1(9Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-
HMDB48671	TG(16:1(9Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,35,38,54H,4-7,9-10,12-16,18-19,22-23,28,30-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,38-35-
HMDB48670	TG(16:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,54H,4-7,9-10,12-16,18-19,22-23,28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-
HMDB48677	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20-21,23-26,28,31,37,40,52H,4-19,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b23-20-,24-21-,26-25-,31-28-,40-37-
HMDB48676	TG(16:1(9Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,55H,4-20,22-23,26,28-54H2,1-3H3/b24-21-,27-25-
HMDB40468	Saponin D	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(CC43CO6)OC(CC5(C)OC3OC(C)C(O)C(O)C3O)C=C(C)C)C2(C)C)C(O)C(O)C1O	InChI=1S/C48H78O17/c1-21(2)16-24-17-46(9,65-41-37(57)34(54)31(51)23(4)60-41)39-25-10-11-28-44(7)14-13-29(43(5,6)27(44)12-15-45(28,8)47(25)19-48(39,64-24)58-20-47)62-42-38(35(55)32(52)26(18-49)61-42)63-40-36(56)33(53)30(50)22(3)59-40/h16,22-42,49-57H,10-15,17-20H2,1-9H3
HMDB40469	Saponin G	CC1OC(OC2(C)CC(OC34CC5(CO3)C(CCC3C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC53C)C24)C=C(C)C)C(O)C(O)C1O	InChI=1S/C42H68O13/c1-20(2)15-22-16-40(8,55-36-33(49)30(46)28(44)21(3)51-36)34-23-9-10-26-38(6)13-12-27(53-35-32(48)31(47)29(45)24(17-43)52-35)37(4,5)25(38)11-14-39(26,7)41(23)18-42(34,54-22)50-19-41/h15,21-36,43-49H,9-14,16-19H2,1-8H3
HMDB49108	TG(18:1(11Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,32,34,51H,4-6,8-9,11-15,17-18,21-22,24,26,28-31,33,35-50H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,34-32-
HMDB49109	TG(18:1(11Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-
HMDB49102	TG(18:1(11Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,53H,4-15,17-18,21-22,24,26,28-29,31,33-52H2,1-3H3/b19-16-,23-20-,27-25-,32-30-
HMDB46806	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,45,48,54,57,66H,4-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b21-18-,30-27-,39-36-,48-45-,57-54-
HMDB49100	TG(18:1(11Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,32,34,51H,4-15,17-18,21-22,24,26,28-31,33,35-50H2,1-3H3/b19-16-,23-20-,27-25-,34-32-
HMDB49101	TG(18:1(11Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,52H,4-12,14-15,17-19,21,24,26-51H2,1-3H3/b16-13-,23-20-,25-22-
HMDB49106	TG(18:1(11Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,42,45,55H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-,45-42-
HMDB49107	TG(18:1(11Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,51H,4-6,8-9,11-15,17-18,21-22,24,26,28-50H2,1-3H3/b10-7-,19-16-,23-20-,27-25-
HMDB49104	TG(18:1(11Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,55H,4-15,17-18,21-22,24,26,28-54H2,1-3H3/b19-16-,23-20-,27-25-
HMDB46807	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,37,41,47,50,56,59,68H,4-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b21-18-,30-27-,41-37-,50-47-,59-56-
HMDB31611	Cyanidin 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[3,4-dihydroxy-E-cinnamoyl-(-&gt;6)]-b-D-glucopyranoside] 5-glucoside	OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC2OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C42H46O24/c43-12-26-30(51)33(54)36(57)40(63-26)61-24-10-17(45)9-23-18(24)11-25(38(60-23)16-3-5-20(47)22(49)8-16)62-42-39(66-41-37(58)34(55)31(52)27(13-44)64-41)35(56)32(53)28(65-42)14-59-29(50)6-2-15-1-4-19(46)21(48)7-15/h1-11,26-28,30-37,39-44,51-58H,12-14H2,(H4-,45,46,47,48,49,50)/p+1
HMDB36418	(-)-Aromadendrene	CC1CCC2C1C1C(CCC2=C)C1(C)C	InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3
HMDB47858	TG(14:1(9Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,40,43,56H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,43-40-
HMDB31610	Allyl phenoxyacetate	C=CCOC(=O)COC1=CC=CC=C1	InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
HMDB47856	TG(14:1(9Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,35,38,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-34,36-37,39-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-,38-35-
HMDB47857	TG(14:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,56H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-
HMDB47854	TG(14:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,36,39,45,48,58H,4-14,17,20-23,25,27-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,39-36-,48-45-
HMDB36419	(1beta,4alpha,5beta,6alpha,7alpha)-9-Aromadendrene	CC1CCC2C1C1C(CC=C2C)C1(C)C	InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3
HMDB47852	TG(14:1(9Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,58H,4-14,17,20-23,25,27-57H2,1-3H3/b18-15-,19-16-,26-24-
HMDB31613	4-Phenyl-2-butanol	CC(O)CCC1=CC=CC=C1	InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
HMDB47850	TG(14:1(9Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,56H,4-14,16,19,21-24,26,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,27-25-,34-32-
HMDB47851	TG(14:1(9Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,40,43,56H,4-14,16,19,21-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,43-40-
HMDB35648	Isolubimin	CC1CC(=O)CC(CO)C11CCC(C1)C(C)=C	InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-13,16H,1,4-9H2,2-3H3
HMDB35649	4-Hydroxy-6-tricosanone	CCCCCCCCCCCCCCCCCC(=O)CC(O)CCC	InChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h22,24H,3-21H2,1-2H3
HMDB35642	8-Hydroxy-6-tricosanone	CCCCCCCCCCCCCCCC(O)CC(=O)CCCCC	InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h23,25H,3-21H2,1-2H3
HMDB35643	beta-Sinensal	C\C(CC\C=C(\C)C=O)=C/CCC(=C)C=C	InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11-
HMDB35640	Sintaxanthin	CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C31H42O/c1-24(14-9-10-15-25(2)18-12-19-27(4)29(6)32)16-11-17-26(3)21-22-30-28(5)20-13-23-31(30,7)8/h9-12,14-19,21-22H,13,20,23H2,1-8H3/b10-9-,16-11+,18-12+,22-21+,24-14+,25-15+,26-17-,27-19+
HMDB35641	3-Hydroxysintaxanthin	CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C	InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+
HMDB35646	(Methylthio)acetic acid; Me ester	COC(=O)CSC	InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3
HMDB35647	3,14-Dihydroxy-11,13-dihydrocostunolide	CC1C2CC\C(CO)=C/CC(O)\C(C)=C/C2OC1=O	InChI=1S/C15H22O4/c1-9-7-14-12(10(2)15(18)19-14)5-3-11(8-16)4-6-13(9)17/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-7-,11-4+
HMDB35644	(6beta,8betaOH)-6,8-Dihydroxy-7(11)-eremophilen-12,8-olide	CC1CCCC2CC3(O)OC(=O)C(C)=C3C(O)C12C	InChI=1S/C15H22O4/c1-8-5-4-6-10-7-15(18)11(9(2)13(17)19-15)12(16)14(8,10)3/h8,10,12,16,18H,4-7H2,1-3H3
HMDB35645	Epoxyguaiene	CC1CCC23OC12CC(CCC3C)C(C)=C	InChI=1S/C15H24O/c1-10(2)13-6-5-11(3)14-8-7-12(4)15(14,9-13)16-14/h11-13H,1,5-9H2,2-4H3
HMDB34225	Levistolide A	CCC\C=C1/OC(=O)C2=C1CCC1C3CCC4(C21)\C(OC(=O)C4=C3)=C\CCC	InChI=1S/C24H28O4/c1-3-5-7-18-16-10-9-15-14-11-12-24(21(15)20(16)23(26)27-18)17(13-14)22(25)28-19(24)8-6-4-2/h7-8,13-15,21H,3-6,9-12H2,1-2H3/b18-7-,19-8-
HMDB34224	Dihydrobrassicasterol	CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3
HMDB49036	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-32,36,39,45,48,57H,4-6,8-9,11-15,17-18,22,26,29,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,39-36-,48-45-
HMDB07649	DG(22:2(13Z,16Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42H,3-10,12,14-16,19-38H2,1-2H3/b13-11-,18-17-/t39-/m0/s1
HMDB07648	DG(22:2(13Z,16Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,38,41H,3-10,12,14-16,19-37H2,1-2H3/b13-11-,18-17-/t38-/m0/s1
HMDB44097	TG(16:0/18:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,54H,4-15,17-18,21-22,24,26,28-29,31,33-53H2,1-3H3/b19-16-,23-20-,27-25-,32-30-
HMDB44096	TG(16:0/18:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,53H,4-12,14-15,17-19,21,24,26-52H2,1-3H3/b16-13-,23-20-,25-22-
HMDB07645	DG(22:1(13Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,47,50H,3-16,21-46H2,1-2H3/b19-17-,20-18-/t47-/m0/s1
HMDB02019	Phytol	OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
HMDB07644	DG(22:1(13Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,47,50H,3-17,19,21-46H2,1-2H3/b20-18-/t47-/m0/s1
HMDB02011	4-Hydroxyisovaleric acid	CC(CO)CC(O)=O	InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
HMDB44093	TG(16:0/18:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,58H,4-19,21-22,24,26,28-57H2,1-3H3/b23-20-,27-25-
HMDB02013	Butyrylcarnitine	CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3
HMDB02012	Ubiquinone Q1	COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O	InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
HMDB02015	Cystathionine ketimine	OC(=O)[C@H]1CCSCC(=N1)C(O)=O	InChI=1S/C7H9NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m1/s1
HMDB02014	cis-5-Tetradecenoylcarnitine	CCCCCCCC\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-
HMDB02017	1-Phenylethylamine	CC(N)C1=CC=CC=C1	InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
HMDB02016	4-Carboxyphenylglycine	NC(C(O)=O)C1=CC=C(C=C1)C(O)=O	InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)
HMDB33525	2,4-Undecadiene-8,10-diynoic acid 2,3-dehydropiperidide	O=C(\C=C\C=C/CCC#CC#C)N1CCCC=C1	InChI=1S/C16H17NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h1,7-8,10-11,13-14H,5-6,9,12,15H2/b8-7-,13-10+
HMDB33524	Lambertine	COC1=CC=C2C=C3N(CCC4=CC5=C(OCO5)C=C34)CC2=C1OC	InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3
HMDB33527	Dehydroisochalciporone	CCC(=O)\C=C/C=C/C=C\C1=NC(C)C=CC=C1	InChI=1S/C16H19NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-14H,3H2,1-2H3/b5-4+,11-6-,13-7-
HMDB33526	Chalciporone	CCC(=O)CC\C=C\C=C/C1=NC(C)=CC=CC1	InChI=1S/C16H21NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-11H,3,7,12-13H2,1-2H3/b5-4+,11-6-
HMDB33521	20-Hydroxyrutacridone epoxide	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C1(CO)CO1)C=C2O	InChI=1S/C19H17NO5/c1-20-12-5-3-2-4-10(12)18(23)16-13(22)7-14-11(17(16)20)6-15(25-14)19(8-21)9-24-19/h2-5,7,15,21-22H,6,8-9H2,1H3
HMDB33520	1-Hydroxyrutacridone epoxide	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1O)C1(C)CO1)C=C2O	InChI=1S/C19H17NO5/c1-19(8-24-19)18-17(23)14-12(25-18)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3
HMDB33523	(-)-Pyrifolidine	CCC12CCCN3CCC4(C(CC1)N(C(C)=O)C1=C4C=CC(OC)=C1OC)C23	InChI=1S/C23H32N2O3/c1-5-22-10-6-13-24-14-12-23(21(22)24)16-7-8-17(27-3)20(28-4)19(16)25(15(2)26)18(23)9-11-22/h7-8,18,21H,5-6,9-14H2,1-4H3
HMDB33522	Oxopurpureine	COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C3=C1C(=NC=C3)C2=O	InChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3
HMDB41331	Pregn-5-ene-3,16,20-triol; (3b,16b,20R)-form, 3-O-b-D-Glucopyranoside	CC(O)C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C27H44O8/c1-13(29)21-19(30)11-18-16-5-4-14-10-15(6-8-26(14,2)17(16)7-9-27(18,21)3)34-25-24(33)23(32)22(31)20(12-28)35-25/h4,13,15-25,28-33H,5-12H2,1-3H3
HMDB41330	Tanabalin	CC1CCC23COC(=O)C2=CCCC3C1(C)CC(OC(C)=O)C1=COC=C1	InChI=1S/C22H28O5/c1-14-7-9-22-13-26-20(24)17(22)5-4-6-19(22)21(14,3)11-18(27-15(2)23)16-8-10-25-12-16/h5,8,10,12,14,18-19H,4,6-7,9,11,13H2,1-3H3
HMDB41333	(all-Z)-8,11,14-Heptadecatrienal	CC\C=C\C\C=C/C\C=C\CCCCCCC=O	InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3+,7-6-,10-9+
HMDB41332	Balagyptin	CC(O)C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O	InChI=1S/C39H64O16/c1-15(40)25-23(41)13-22-20-7-6-18-12-19(8-10-38(18,4)21(20)9-11-39(22,25)5)53-37-34(55-36-33(49)30(46)27(43)17(3)52-36)31(47)28(44)24(54-37)14-50-35-32(48)29(45)26(42)16(2)51-35/h6,15-17,19-37,40-49H,7-14H2,1-5H3
HMDB33529	(+)-2,3-Dihydro-3-methyl-1H-pyrrole	CC1CNC=C1	InChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3
HMDB33528	4,6-Dihydroxy-2-quinolinecarboxylic acid	OC(=O)C1=CC(=O)C2=C(N1)C=CC(O)=C2.OC(=O)C1=NC2=C(C=C(O)C=C2)C(O)=C1	InChI=1S/2C10H7NO4/c2*12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h2*1-4,12H,(H,11,13)(H,14,15)
HMDB41337	2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin	OCC1NCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2
HMDB41336	7-Hydroxy-4-methyl-1(3H)-isobenzofuranone; O-[b-L-Arabinopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1=CC=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C2=C1COC2=O	InChI=1S/C20H26O12/c1-7-2-3-10(12-8(7)4-28-18(12)27)31-20-17(26)15(24)14(23)11(32-20)6-30-19-16(25)13(22)9(21)5-29-19/h2-3,9,11,13-17,19-26H,4-6H2,1H3
HMDB31019	2-Dodecanone	CCCCCCCCCCC(C)=O	InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
HMDB31018	Methyl dodecanoate	CCCCCCCCCCCC(=O)OC	InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
HMDB34069	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid; (Z)-form, 3,5-Di-Me ether	COC1=CC(\C=C/C(O)=O)=CC(OC)=C1O	InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3-
HMDB35428	Licoagrochalcone C	COC1=C(CC=C(C)C)C(O)=CC=C1\C=C\C(=O)C1=CC(O)=C(O)C=C1	InChI=1S/C21H22O5/c1-13(2)4-8-16-18(23)10-6-14(21(16)26-3)5-9-17(22)15-7-11-19(24)20(25)12-15/h4-7,9-12,23-25H,8H2,1-3H3/b9-5+
HMDB34065	2,9-Dihydroxy-4,10(14)-oplopadien-3-one; (2b,4Z,9a)-form, 2,9-Bis(3-methyl-2E-pentenoyl)	CC\C(C)=C/C(=O)OC1C2C(C(CC(OC(=O)\C=C(/C)CC)C2=C)C(C)C)\C(=C\C)C1=O	InChI=1S/C27H38O5/c1-9-16(6)12-22(28)31-21-14-20(15(4)5)25-19(11-3)26(30)27(24(25)18(21)8)32-23(29)13-17(7)10-2/h11-13,15,20-21,24-25,27H,8-10,14H2,1-7H3/b16-12+,17-13-,19-11-
HMDB31012	Glycerol 1,2-dioctadecanoate	CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3
HMDB31011	Glycerol 1,3-dihexadecanoate	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
HMDB31010	Glycerol 1,2-dioctacosanoate	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-58(61)63-56-57(55-60)64-59(62)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57,60H,3-56H2,1-2H3
HMDB31017	10-Undecen-1-ol; Ac	CC(=O)OCCCCCCCCCC=C	InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3H,1,4-12H2,2H3
HMDB31016	10-Undecen-1-ol	OCCCCCCCCCC=C	InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2
HMDB34063	Asparasaponin II	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H74O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3
HMDB31014	2,6-Dodecadienoic acid; (2E,6Z)-form, Me ester	CCCCC\C=C/CC\C=C\C(=O)OC	InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-,12-11+
HMDB35426	8-Glucopyranosyl-4',5,7-trihydroxyflavanone; (R)-form, 2''-O-a-L-Rhamnopyranosyl	CC1OC(OC2C(O)C(O)C(CO)OC2C2=C3OC(CC(=O)C3=C(O)C=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H32O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-6,9,15-16,19-23,25-31,33-37H,7-8H2,1H3
HMDB44231	TG(16:0/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,35,38,44,47,60H,4-24,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b27-25-,28-26-,38-35-,47-44-
HMDB35427	Glicoisoflavanone	COC1=CC(O)=C(C2CC(=O)C3=CC=C(O)C=C3O2)C(OC)=C1CC=C(C)C	InChI=1S/C22H24O6/c1-12(2)5-7-15-18(26-3)11-17(25)21(22(15)27-4)20-10-16(24)14-8-6-13(23)9-19(14)28-20/h5-6,8-9,11,20,23,25H,7,10H2,1-4H3
HMDB44230	TG(16:0/24:1(15Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-
HMDB49032	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,40-37-,49-46-
HMDB42421	TG(14:0/20:3(5Z,8Z,11Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h23-24,26-27,33,36,48H,4-22,25,28-32,34-35,37-47H2,1-3H3/b24-23-,27-26-,36-33-
HMDB42738	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,29-30,34,37,43,46,55H,4-13,15,18,20-22,27-28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,30-29-,37-34-,46-43-
HMDB42739	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,44,47,56H,4-15,18,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-
HMDB49033	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB42730	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,33,36,42,45,54H,4-15,17-18,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,36-33-,45-42-
HMDB42731	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,33,36,42,45,54H,4-15,17-18,20-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,36-33-,45-42-
HMDB42732	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,35,38,44,47,56H,4-15,17-18,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,38-35-,47-44-
HMDB42733	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-15,17-18,20-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB42734	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,31,33,37,40,46,49,58H,4-16,18-19,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b20-17-,26-24-,27-25-,33-31-,40-37-,49-46-
HMDB42735	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,35,39,42,48,51,60H,4-16,18-19,21-23,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,26-24-,27-25-,35-32-,42-39-,51-48-
HMDB42736	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-31,34,37,43,46,55H,4-15,17-18,21-22,25,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,31-27-,37-34-,46-43-
HMDB42737	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,35-36,38,42,45,54H,4-15,18,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-
HMDB53949	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-41,43-44,58H,4-6,8,11,13-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-
HMDB53948	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40,43,58H,4-6,8,11,13-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-
HMDB58559	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,40,42-45,49-50,54,57,61-62,66,81-83,88H,5-20,23-24,27-32,39,41,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB33210	Lyciumoside VIII	C\C(CC\C=C(/C)C(O)C\C=C(\C)COC1OC(CO)C(O)C(O)C1O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C32H54O13/c1-6-32(5,45-31-29(41)27(39)25(37)23(16-34)44-31)14-8-10-18(2)9-7-11-20(4)21(35)13-12-19(3)17-42-30-28(40)26(38)24(36)22(15-33)43-30/h6,10-12,21-31,33-41H,1,7-9,13-17H2,2-5H3/b18-10+,19-12-,20-11+
HMDB49030	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,22,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,38-35-,47-44-
HMDB33217	(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol	CC(C)(O)C(O)CCC(=C)C(O)CO	InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h8-9,11-14H,1,4-6H2,2-3H3
HMDB38199	Lucidenic acid D1	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C27H34O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-14,16H,7-12H2,1-6H3,(H,31,32)
HMDB38198	3,7-Bisaboladiene-2,8-dione	CC(C)CC(=O)\C=C(\C)C1CC=C(C)C(=O)C1	InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5,8,10,13H,6-7,9H2,1-4H3/b12-8-
HMDB33215	1,8-Epoxy-p-menthan-4-ol; O-b-D-Glucopyranoside	CC1(C)OC2(C)CCC1(CC2)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-14(2)16(6-4-15(3,23-14)5-7-16)22-13-12(20)11(19)10(18)9(8-17)21-13/h9-13,17-20H,4-8H2,1-3H3
HMDB38191	Isopropylcyclohexane	CC(C)C1CCCCC1	InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
HMDB38190	Rishitinol	CC1=CC=C(C)C2=C1CC(O)C(C2)C(C)(C)O	InChI=1S/C15H22O2/c1-9-5-6-10(2)12-8-14(16)13(7-11(9)12)15(3,4)17/h5-6,13-14,16-17H,7-8H2,1-4H3
HMDB38193	Isoshyobunone	CC(C)C1CCC(C)(C=C)C(=C(C)C)C1=O	InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12H,1,8-9H2,2-6H3
HMDB38192	p-Menth-3-ene-3-thiol	CC(C)C1CCC(C)CC1=S.CC(C)C1=C(S)CC(C)CC1	InChI=1S/2C10H18S/c2*1-7(2)9-5-4-8(3)6-10(9)11/h7-8,11H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3
HMDB38195	Xanthorrhizol	CC(CCC=C(C)C)C1=CC=C(C)C(O)=C1	InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3
HMDB38194	Geijerone	CC(=C)C1CC(=O)CCC1(C)C=C	InChI=1S/C12H18O/c1-5-12(4)7-6-10(13)8-11(12)9(2)3/h5,11H,1-2,6-8H2,3-4H3
HMDB38197	alpha-Bisabolol oxide B	CC1=CCC(CC1)C1(C)CCC(O1)C(C)(C)O	InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3
HMDB38196	alpha-Bisabolol oxide A	CC1=CCC(CC1)C1(C)CCC(O)C(C)(C)O1	InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3
HMDB30768	2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran	COC1=C(C2=CC3=CC=CC=C3O2)C(O)=CC2=C1OCO2	InChI=1S/C16H12O5/c1-18-16-14(10(17)7-13-15(16)20-8-19-13)12-6-9-4-2-3-5-11(9)21-12/h2-7,17H,8H2,1H3
HMDB30769	8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone	COC1=CC(=O)C2=C(C(O)=CC(C)=C2)C1=O	InChI=1S/C12H10O4/c1-6-3-7-8(13)5-10(16-2)12(15)11(7)9(14)4-6/h3-5,14H,1-2H3
HMDB58552	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB30762	3-(4-Hydroxyphenyl)-2-propenoic acid, 9CI; (E)-form, Me ether, Et ester	CCOC(=O)\C=C\C1=CC=C(OC)C=C1	InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+
HMDB30763	(10S,11S)-Pterosin C	CC1C(O)C2=C(C1=O)C(C)=C(CCO)C(C)=C2	InChI=1S/C14H18O3/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,15-16H,4-5H2,1-3H3
HMDB30760	Pteroside B	CC1CC2=C(C1=O)C(C)=C(CCOC1OC(CO)C(O)C(O)C1O)C(C)=C2	InChI=1S/C20H28O7/c1-9-6-12-7-10(2)16(22)15(12)11(3)13(9)4-5-26-20-19(25)18(24)17(23)14(8-21)27-20/h6,10,14,17-21,23-25H,4-5,7-8H2,1-3H3
HMDB30761	Pterosin O	COCCC1=C(C)C2=C(CC(C)C2=O)C=C1C	InChI=1S/C15H20O2/c1-9-7-12-8-10(2)15(16)14(12)11(3)13(9)5-6-17-4/h7,10H,5-6,8H2,1-4H3
HMDB30766	11-Hydroxy-12-methoxydihydrokawain	COC1=CC(=O)OC(CCC2=CC(O)=C(OC)C=C2)C1	InChI=1S/C15H18O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-14(19-2)13(16)7-10/h4,6-7,9,11,16H,3,5,8H2,1-2H3
HMDB30767	11,12-Dimethoxydihydrokawain	COC1=CC(=O)OC(CCC2=CC(OC)=C(OC)C=C2)C1	InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3
HMDB30764	Acetylpterosin C	CC1C(O)C2=C(C1=O)C(C)=C(CCOC(C)=O)C(C)=C2	InChI=1S/C16H20O4/c1-8-7-13-14(16(19)10(3)15(13)18)9(2)12(8)5-6-20-11(4)17/h7,10,15,18H,5-6H2,1-4H3
HMDB30765	(-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one	CC1OC(=O)C2=C(C=CC=C2O)C1O	InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3
HMDB53942	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-41,43-44,58H,4-8,10-11,13-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-
HMDB39578	1,5-Dihydroxy-2-methoxy-6-methylanthraquinone	COC1=C(O)C2=C(C=C1)C(=O)C1=C(C=CC(C)=C1O)C2=O	InChI=1S/C16H12O5/c1-7-3-4-8-11(13(7)17)14(18)9-5-6-10(21-2)16(20)12(9)15(8)19/h3-6,17,20H,1-2H3
HMDB39579	Sucrose monopalmitate	CCCCCCCCCCCCCCCC(O)=O.OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C16H32O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-15H2,1H3,(H,17,18);4-11,13-20H,1-3H2
HMDB39574	Guajavin A	OC1CC2=C(O)C=C(O)C(C3C4OC(=O)C5=C3C(O)=C(O)C(O)=C5C3=C(C=C(O)C(O)=C3O)C(=O)OC4C3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OCC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1	InChI=1S/C56H40O32/c57-17-9-18(58)31(48-13(17)5-26(66)47(85-48)11-1-19(59)36(67)20(60)2-11)34-33-35-32(44(75)46(77)45(33)76)30-16(8-25(65)40(71)43(30)74)55(81)88-51(50(34)87-56(35)82)49-27(84-52(78)12-3-21(61)37(68)22(62)4-12)10-83-53(79)14-6-23(63)38(69)41(72)28(14)29-15(54(80)86-49)7-24(64)39(70)42(29)73/h1-4,6-9,26-27,34,47,49-51,57-77H,5,10H2
HMDB39575	alpha-Peroxyachifolide	C\C=C(/C)C(=O)OC1(C)C(O)CC2C(OC(=O)C2=C)C2C3(C)OOC12C=C3	InChI=1S/C20H24O7/c1-6-10(2)16(22)25-19(5)13(21)9-12-11(3)17(23)24-14(12)15-18(4)7-8-20(15,19)27-26-18/h6-8,12-15,21H,3,9H2,1-2,4-5H3/b10-6+
HMDB39576	Lyciumoside II	C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C38H64O17/c1-6-38(5,55-36-33(49)30(46)27(43)24(17-40)52-36)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)19-50-37-34(31(47)28(44)25(18-41)53-37)54-35-32(48)29(45)26(42)23(16-39)51-35/h6,10,13-14,23-37,39-49H,1,7-9,11-12,15-19H2,2-5H3/b20-10-,21-14+,22-13+
HMDB39577	Lyciumoside I	C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C32H54O12/c1-6-32(5,44-31-29(40)27(38)25(36)23(17-34)43-31)15-9-14-20(3)11-7-10-19(2)12-8-13-21(4)18-41-30-28(39)26(37)24(35)22(16-33)42-30/h6,10,13-14,22-31,33-40H,1,7-9,11-12,15-18H2,2-5H3/b19-10-,20-14+,21-13+
HMDB39570	Methylsyringin	COC\C=C/C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1	InChI=1S/C18H26O9/c1-23-6-4-5-10-7-11(24-2)17(12(8-10)25-3)27-18-16(22)15(21)14(20)13(9-19)26-18/h4-5,7-8,13-16,18-22H,6,9H2,1-3H3/b5-4-
HMDB39571	5'-Hydroxy-3'-methoxysativan	COC1=C(OC)C(OC)=C(C=C1O)C1COC2=C(C1)C=CC(O)=C2	InChI=1S/C18H20O6/c1-21-16-13(8-14(20)17(22-2)18(16)23-3)11-6-10-4-5-12(19)7-15(10)24-9-11/h4-5,7-8,11,19-20H,6,9H2,1-3H3
HMDB39572	Pavetannin B2	O[C@@H]1CC2=C(O)C=C(O)C([C@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@@](OC7=CC(O)=CC(O)=C67)(OC5=CC(O)=C34)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38-,39-,40-,41-,44-,45+/m1/s1
HMDB39573	3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, O-[b-D-Xylopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-
HMDB49418	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-15,17,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB38229	Bn-NCC-1	CC1=C(C=C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)C1C(C(O)=O)C(=O)C2=C1NC(CC1=C(CCOC(=O)CC(O)=O)C(C)=C(N1)C=O)=C2C	InChI=1S/C37H40N4O11/c1-6-19-15(2)23(41-36(19)49)11-22-17(4)21(7-8-27(43)44)33(39-22)31-32(37(50)51)35(48)30-18(5)24(40-34(30)31)12-25-20(16(3)26(14-42)38-25)9-10-52-29(47)13-28(45)46/h6,14,23,31-32,38-40H,1,7-13H2,2-5H3,(H,41,49)(H,43,44)(H,45,46)(H,50,51)
HMDB38228	4-O-alpha-D-Galactopyranosylcalystegine B2	OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O	InChI=1S/C13H23NO9/c15-3-5-6(16)7(17)8(18)12(22-5)23-10-4-1-2-13(21,14-4)11(20)9(10)19/h4-12,14-21H,1-3H2
HMDB38227	Isopropyl 2-methylpropanoate	CC(C)OC(=O)C(C)C	InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
HMDB38226	Romucosine H	COC(=O)N1CCC2=C3C1CC1=C(C(O)=C(OC)C=C1)C3=C(OC)C(OC)=C2	InChI=1S/C21H23NO6/c1-25-14-6-5-11-9-13-16-12(7-8-22(13)21(24)28-4)10-15(26-2)20(27-3)18(16)17(11)19(14)23/h5-6,10,13,23H,7-9H2,1-4H3
HMDB38225	Glycycoumarin	COC1=C2C=C(C(=O)OC2=CC(O)=C1CC=C(C)C)C1=C(O)C=C(O)C=C1	InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3
HMDB38224	Ornithokinin	CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	InChI=1S/C48H77N15O11/c1-27(2)24-32(39(66)58-31(46(73)74)15-8-20-55-48(52)53)59-42(69)35-17-10-22-62(35)45(72)38(28(3)64)60-40(67)33(25-29-12-5-4-6-13-29)57-37(65)26-56-41(68)34-16-9-21-61(34)44(71)36-18-11-23-63(36)43(70)30(49)14-7-19-54-47(50)51/h4-6,12-13,27-28,30-36,38,64H,7-11,14-26,49H2,1-3H3,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,50,51,54)(H4,52,53,55)/t28-,30+,31+,32+,33+,34+,35+,36+,38+/m1/s1
HMDB38223	Carnocin U I49	CCCCCCCCOC1=CC=C(C=NC2=CC=C(C=C2)C#N)C=C1	InChI=1S/C22H26N2O/c1-2-3-4-5-6-7-16-25-22-14-10-20(11-15-22)18-24-21-12-8-19(17-23)9-13-21/h8-15,18H,2-7,16H2,1H3/b24-18+
HMDB38222	Carnocin CP 5	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C1C(C(=O)C2=CC=CC=C2C1=O)[N+]1=CC=CC=C1	InChI=1S/C23H19N3O5S/c1-15(27)24-16-9-11-17(12-10-16)32(30,31)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h2-14,20-21H,1H3,(H,24,27)
HMDB38221	Pentigetide	N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	InChI=1S/C22H36N8O11/c23-10(7-15(32)33)17(36)29-13(9-31)18(37)28-12(8-16(34)35)20(39)30-6-2-4-14(30)19(38)27-11(21(40)41)3-1-5-26-22(24)25/h10-14,31H,1-9,23H2,(H,27,38)(H,28,37)(H,29,36)(H,32,33)(H,34,35)(H,40,41)(H4,24,25,26)/t10-,11-,12-,13-,14-/m0/s1
HMDB38220	Fast green FCF	CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC(=C(O)C=C1)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O	InChI=1S/C37H36N2O10S3/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)31-16-11-28(12-17-31)37(30-15-20-35(40)36(23-30)52(47,48)49)29-13-18-32(19-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49)
HMDB37082	Ellagic acid, INN; 3-Me ether, 8-O-(4-O-acetyl-a-L-rhamnopyranoside)	COC1=C(O)C=C2C(=O)OC3=C(OC4OC(C)C(OC(C)=O)C(O)C4O)C(O)=CC4=C3C2=C1OC4=O	InChI=1S/C23H20O13/c1-6-16(33-7(2)24)14(27)15(28)23(32-6)36-18-11(26)5-9-13-12-8(22(30)35-20(13)18)4-10(25)17(31-3)19(12)34-21(9)29/h4-6,14-16,23,25-28H,1-3H3
HMDB37083	Secoisolariciresinol; (8R,8'R)-form, 9-O-b-D-Glucopyranoside	COC1=CC(CC(CO)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3
HMDB37080	Ellagic acid, INN; 3-Me ether, 8-O-(2-O-acetyl-a-L-rhamnopyranoside)	COC1=C(O)C=C2C(=O)OC3=C(OC4OC(C)C(O)C(O)C4OC(C)=O)C(O)=CC4=C3C2=C1OC4=O	InChI=1S/C23H20O13/c1-6-14(27)15(28)20(33-7(2)24)23(32-6)36-17-11(26)5-9-13-12-8(22(30)35-19(13)17)4-10(25)16(31-3)18(12)34-21(9)29/h4-6,14-15,20,23,25-28H,1-3H3
HMDB37081	Ellagic acid, INN; 3-Me ether, 8-O-(3-O-acetyl-a-L-rhamnopyranoside)	COC1=C(O)C=C2C(=O)OC3=C(OC4OC(C)C(O)C(OC(C)=O)C4O)C(O)=CC4=C3C2=C1OC4=O	InChI=1S/C23H20O13/c1-6-14(27)20(33-7(2)24)15(28)23(32-6)36-17-11(26)5-9-13-12-8(22(30)35-19(13)17)4-10(25)16(31-3)18(12)34-21(9)29/h4-6,14-15,20,23,25-28H,1-3H3
HMDB37086	5,8-Dimethoxychalepensin	COC1=C2OC(=O)C(=CC2=C(OC)C2=C1OC=C2)C(C)(C)C=C	InChI=1S/C18H18O5/c1-6-18(2,3)12-9-11-13(20-4)10-7-8-22-14(10)16(21-5)15(11)23-17(12)19/h6-9H,1H2,2-5H3
HMDB37087	Chrysophanol 8-(6-galloylglucoside)	CC1=CC2=C(C(O)=C1)C(=O)C1=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)C=CC=C1C2=O	InChI=1S/C28H24O13/c1-10-5-13-19(14(29)6-10)24(35)20-12(21(13)32)3-2-4-17(20)40-28-26(37)25(36)23(34)18(41-28)9-39-27(38)11-7-15(30)22(33)16(31)8-11/h2-8,18,23,25-26,28-31,33-34,36-37H,9H2,1H3
HMDB37084	Secoisolariciresinol; (8S,8'S)-form, 9-O-b-D-Xylopyranoside	COC1=CC(CC(CO)C(COC2OCC(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C25H34O10/c1-32-21-9-14(3-5-18(21)27)7-16(11-26)17(8-15-4-6-19(28)22(10-15)33-2)12-34-25-24(31)23(30)20(29)13-35-25/h3-6,9-10,16-17,20,23-31H,7-8,11-13H2,1-2H3
HMDB37085	Isorhamnetin 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-a-L-rhamnopyranoside]	COC1=CC(=CC=C1O)C1=C(OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O16/c1-9-18(33)22(37)26(44-27-23(38)21(36)19(34)16(8-29)42-27)28(40-9)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3
HMDB59419	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,50-52,54-56,62,66,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47-49,53,57-61,63-65,67-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-/t85?,86-,87-/m1/s1
HMDB59418	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,50-51,54-55,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-49,52-53,56-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-/t84?,85-,86-/m1/s1
HMDB37088	3-(4-Hydroxyphenyl)-2-propenoic acid, 9CI; (E)-form, O-[b-D-Apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	OCC1OC(OC2=CC=C(\C=C\C(O)=O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C20H26O12/c21-7-12-14(25)15(26)16(32-19-17(27)20(28,8-22)9-29-19)18(31-12)30-11-4-1-10(2-5-11)3-6-13(23)24/h1-6,12,14-19,21-22,25-28H,7-9H2,(H,23,24)/b6-3+
HMDB37089	Delphinidin 3-(6-p-coumaroylgalactoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1
HMDB41487	D-Pinitol 2-O-alpha-D-Galactopyranosyl	COC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3
HMDB08419	PC(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33,37,39,48H,6-7,9,11-13,18-19,24,26,29,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,39-37-/t48-/m1/s1
HMDB08418	PC(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33,48H,6-7,9,11-13,18-19,24,26,29,32,34-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-/t48-/m1/s1
HMDB41486	1-Deoxy-D-ribitol	CC(O)C(O)C(O)CO	InChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3
HMDB08413	PC(20:3(8Z,11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,48H,6-14,16,18-20,22,24-27,29,31-47H2,1-5H3/b17-15-,23-21-,30-28-/t48-/m1/s1
HMDB08412	PC(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,33,35,46H,6-8,10,12-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
HMDB08411	PC(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,46H,6-8,10,12-13,18-19,24-25,30-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t46-/m1/s1
HMDB08410	PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,33,35,46H,6-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
HMDB08417	PC(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33,37,39,48H,6-13,18-19,24,26,29,32,34-36,38,40-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,39-37-/t48-/m1/s1
HMDB08416	PC(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33,48H,6-13,18-19,24,26,29,32,34-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-/t48-/m1/s1
HMDB08415	PC(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,28,30,48H,6-13,18-19,24-27,29,31-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,30-28-/t48-/m1/s1
HMDB08414	PC(20:3(8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,48H,6-14,16,18-19,24-27,29,31-47H2,1-5H3/b17-15-,22-20-,23-21-,30-28-/t48-/m1/s1
HMDB41484	5-Acetyl-2,4-dimethylthiazole	CC(=O)C1=C(C)N=C(C)S1	InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
HMDB50108	TG(18:1(9Z)/22:2(13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,33,59H,4-13,15,18,20-22,24,29-32,34-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-27-
HMDB41482	3-Benzyl-4-heptanone	CCCC(=O)C(CC)CC1=CC=CC=C1	InChI=1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
HMDB41481	4-(3,4-Methylenedioxyphenyl)-2-butanone	CC(=O)CCC1=CC2=C(OCO2)C=C1	InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
HMDB41480	(Z)-13-Octadecenoic acid	CCCC\C=C\CCCCCCCCCCCC(O)=O	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+
HMDB49416	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,18,20-23,25,27,30,37,40,55H,4-12,14-15,17,19,24,26,28-29,31-36,38-39,41-54H2,1-3H3/b16-13-,21-18-,23-20-,25-22-,30-27-,40-37-
HMDB34836	Lansiumarin B	C\C(C\C=C\C(C)(C)OO)=C/COC1=C2OC=CC2=CC2=C1OC(=O)C=C2	InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
HMDB58224	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB49417	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,31-32,34,38,41,56H,4-15,17,22,24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-
HMDB36689	Millefin	CC1C2C(OC1=O)\C=C(C)\C(C\C=C(C)\CC2OC(C)=O)OC(C)=O	InChI=1S/C19H26O6/c1-10-6-7-15(23-13(4)20)11(2)9-17-18(12(3)19(22)25-17)16(8-10)24-14(5)21/h6,9,12,15-18H,7-8H2,1-5H3/b10-6+,11-9+
HMDB36688	Costunolide	C\C1=C\CC\C(C)=C/C2OC(=O)C(=C)C2CC1	InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5-,11-9-
HMDB36687	Tanavulgarol	CC1C2CC(CC1O)C2(C)CC(=O)C=C(C)C	InChI=1S/C15H24O2/c1-9(2)5-12(16)8-15(4)11-6-13(15)10(3)14(17)7-11/h5,10-11,13-14,17H,6-8H2,1-4H3
HMDB36686	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol	CC1(O)C(O)C=C2C1(C)C=CCC2(C)C	InChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3
HMDB36685	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one	CC1C(=O)C=C2C1(C)C=CCC2(C)C	InChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3
HMDB36684	2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol	CC1C(O)C=C2C1(C)C=CCC2(C)C	InChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3
HMDB36683	5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene	CC1=CC=C2C1(C)C=CCC2(C)C	InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3
HMDB36682	Cascarilladiene	CC(C)C1CC(C)C2(C)CC=C(C)C=C12	InChI=1S/C15H24/c1-10(2)13-9-12(4)15(5)7-6-11(3)8-14(13)15/h6,8,10,12-13H,7,9H2,1-5H3
HMDB36681	7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one	CC(C)C1CC2CC(=O)C1C=C2C	InChI=1S/C12H18O/c1-7(2)10-5-9-6-12(13)11(10)4-8(9)3/h4,7,9-11H,5-6H2,1-3H3
HMDB36680	Cyperolone	CC(=C)C1CCC2(C)CCC(O)C2(C1)C(C)=O	InChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3
HMDB50102	TG(18:1(9Z)/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34,60H,4-15,17-18,20-24,30-33,35-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-
HMDB50103	TG(18:1(9Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34-35,38,44,47,60H,4-15,17-18,20-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB49003	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,40-41,43-44,56H,4-6,9,12-15,18,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB36355	3-Methylpentyl glucosinolate	CCC(C)CC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C13H25NO9S2/c1-3-7(2)4-5-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(6-15)22-13/h7-8,10-13,15-18H,3-6H2,1-2H3,(H,19,20,21)/b14-9+
HMDB36354	1-Pentenyl glucosinolate	CCC\C=C\C(\SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h4-5,7,9-12,14-17H,2-3,6H2,1H3,(H,18,19,20)/b5-4+,13-8+
HMDB36357	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-b-D-xylopyranoside]	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)53-33-31(46)29(44)24(20-50-33)52-34-32(47)30(45)28(43)23(19-42)51-34/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)
HMDB36356	[12]-Gingerol	CCCCCCCCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,20,24,26H,3-13,15,18H2,1-2H3
HMDB36351	Methyl 2-propenyl pentasulfide	CSSSSSCC=C	InChI=1S/C4H8S5/c1-3-4-6-8-9-7-5-2/h3H,1,4H2,2H3
HMDB36350	Methyl 2-propenyl tetrasulfide	CSSSSCC=C	InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3
HMDB36353	Glycerol trisinapate	COC1=CC(\C=C\C(=O)OCC(COC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)OC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O	InChI=1S/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3/b10-7+,11-8+,12-9+
HMDB36352	Viniferol A	OC1=CC=C(C=C1)C1OC2=C(C1C1=CC(O)=CC(O)=C1)C1=C(C(C3C1C(C1=CC=C(O)C=C1)C1=C(C=C(O)C=C1O)C1C(OC4=C1C3=CC(O)=C4)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C(O)=C2	InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-48-39(21-37(64)23-42(48)67-56(50)28-7-15-33(60)16-8-28)49-45(26-3-11-31(58)12-4-26)51-41(66)24-43-52(54(51)53(44)49)46(29-17-34(61)19-35(62)18-29)55(68-43)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H
HMDB36359	Pandanamine	CC1=C\C(OC1=O)=C\CCCNCCC\C=C1/OC(=O)C(C)=C1	InChI=1S/C18H23NO4/c1-13-11-15(22-17(13)20)7-3-5-9-19-10-6-4-8-16-12-14(2)18(21)23-16/h7-8,11-12,19H,3-6,9-10H2,1-2H3/b15-7-,16-8-
HMDB36358	Momordin I	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)
HMDB34835	3-(3-Ethyloxiranyl)-2-propenal	CCC1OC1\C=C\C=O	InChI=1S/C7H10O2/c1-2-6-7(9-6)4-3-5-8/h3-7H,2H2,1H3/b4-3+
HMDB44198	TG(16:0/22:1(13Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,24-25,52H,4-14,16-17,19-23,26-51H2,1-3H3/b18-15-,25-24-
HMDB44199	TG(16:0/22:1(13Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20,23,25-26,54H,4-19,21-22,24,27-53H2,1-3H3/b23-20-,26-25-
HMDB44192	TG(16:0/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,33,39,42,55H,4-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b27-25-,33-30-,42-39-
HMDB44193	TG(16:0/22:1(13Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-
HMDB44190	TG(16:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,34,36-37,39,43,46,58H,4-6,8-9,11-15,17-18,20-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB44191	TG(16:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,8-9,11-15,17-18,20-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB44196	TG(16:0/22:1(13Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26-
HMDB44197	TG(16:0/22:1(13Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,62H,4-25,27,29-61H2,1-3H3/b28-26-
HMDB44194	TG(16:0/22:1(13Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB35391	Preisocalamendiol	CC(C)C1CC\C(C)=C/CCC(=C)CC1=O	InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6-
HMDB53917	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44,50,53,62H,4-15,22-24,31,33-34,38,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,53-50-
HMDB58456	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB58457	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB58454	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,37,39-41,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,35-36,38,42-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,50-46-/t79?,80-,81-/m1/s1
HMDB58455	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,39-41,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35,38,42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB34858	3-[5-(1-Propynyl)-2-thienyl]-2-propenoic acid; (Z)-form, Me ester	COC(=O)\C=C/C1=CC=C(S1)C#CC	InChI=1S/C11H10O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-8H,1-2H3/b8-7-
HMDB34859	Halosulfuron-methyl	COC(=O)C1=C(N(C)N=C1Cl)S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1	InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)
HMDB58450	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58451	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,45,48,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,48-45-/t77?,78-,79-/m1/s1
HMDB34854	Flumioxazin	FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2	InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
HMDB34855	Torososide B	COC1=CC2=C(C(=O)C3=C(C=C(C)C=C3O)C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C40H52O25/c1-11-3-13-21(15(43)4-11)28(49)22-14(23(13)44)5-12(57-2)6-16(22)60-39-33(54)30(51)25(46)19(63-39)10-59-38-35(56)36(27(48)18(8-42)62-38)65-40-34(55)31(52)26(47)20(64-40)9-58-37-32(53)29(50)24(45)17(7-41)61-37/h3-6,17-20,24-27,29-43,45-48,50-56H,7-10H2,1-2H3
HMDB34856	2-Undecen-1-ol	CCCCCCCC\C=C\CO	InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+
HMDB34857	2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene	C1COC2(C1)O\C(=C\C1=CC=CS1)C=C2	InChI=1S/C12H12O2S/c1-3-11(15-8-1)9-10-4-6-12(14-10)5-2-7-13-12/h1,3-4,6,8-9H,2,5,7H2/b10-9+
HMDB34850	Metosulam	COC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C(C)=CC=C1Cl	InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3
HMDB34851	2,4-Dioxohexanoic acid, 9CI; Et ester	CCOC(=O)C(=O)CC(=O)CC	InChI=1S/C8H12O4/c1-3-6(9)5-7(10)8(11)12-4-2/h3-5H2,1-2H3
HMDB34852	Sulfentrazone	CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl	InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3
HMDB34853	Cyprodinil	CC1=CC(=NC(NC2=CC=CC=C2)=N1)C1CC1	InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
HMDB12133	1,2-Benzoquinone	O=C1C=CC=CC1=O	InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H
HMDB12131	(S)-5-Amino-3-oxohexanoate	C[C@H](N)CC(=O)CC(O)=O	InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
HMDB12130	(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate	OC(=O)C1CCCC=N1	InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)
HMDB12136	1-Amino-propan-2-ol	CC(O)CN	InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
HMDB12135	1-(3-Aminopropyl)-4-aminobutanal	NCCCNCCCC=O	InChI=1S/C7H16N2O/c8-4-3-6-9-5-1-2-7-10/h7,9H,1-6,8H2
HMDB12134	1,2-Dihydroxy-3-keto-5-methylthiopentene	CSCCC(=O)C(\O)=C\O	InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-
HMDB12138	1-Naphthol	OC1=C2C=CC=CC2=CC=C1	InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
HMDB29535	Grevilline A	OC1=CC=C(\C=C2\OC(=O)C(O)=C(C2=O)C2=CC=C(O)C=C2)C=C1	InChI=1S/C18H12O6/c19-12-5-1-10(2-6-12)9-14-16(21)15(17(22)18(23)24-14)11-3-7-13(20)8-4-11/h1-9,19-20,22H/b14-9+
HMDB29534	Glyzarin	CC(=O)C1=C2OC(C)=C(C(=O)C2=CC=C1O)C1=CC=CC=C1	InChI=1S/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3
HMDB29537	Safflor Yellow A	OCC1OC2C(OC3=C2C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C27H30O15/c28-7-12-17(33)20(36)23-22(40-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(38)27(39,25(15)42-23)26-21(37)19(35)16(32)13(8-29)41-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-39H,7-8H2/b6-3+
HMDB29536	Naringenin	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1([H])OC2=C(C(O[H])=C([H])C(O[H])=C2[H])C(=O)C1([H])[H]	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
HMDB29531	(S)-4',7-Dihydroxy-3',8-diprenylflavanone	CC(C)=CCC1=CC(=CC=C1O)C1CC(=O)C2=CC=C(O)C(CC=C(C)C)=C2O1	InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3
HMDB29530	Glabrene	CC1(C)OC2=C(C=CC(O)=C2C=C1)C1=CC2=CC=C(O)C=C2OC1	InChI=1S/C20H18O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-10,21-22H,11H2,1-2H3
HMDB29533	Glabrone	CC1(C)OC2=CC=C(C(O)=C2C=C1)C1=COC2=CC(O)=CC=C2C1=O	InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3
HMDB29532	3-Hydroxyglabrol	CC(C)=CCC1=CC(=CC=C1O)C1OC2=C(CC=C(C)C)C(O)=CC=C2C(=O)C1O	InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,23-24,26-27,29H,7,9H2,1-4H3
HMDB53019	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-15,17,20,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB53018	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,36,38-41,43,45,48,60H,4-15,17,20,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB29539	Xenognosin A	COC1=C(C\C=C\C2=CC=C(O)C=C2)C=CC(O)=C1	InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+
HMDB29538	Neodiospyrin	CC1=CC2=C(C(O)=C1)C(=O)C(=CC2=O)C1=C(C)C=C(O)C2=C1C(=O)C=CC2=O	InChI=1S/C22H14O6/c1-9-5-11-15(25)8-12(22(28)19(11)16(26)6-9)18-10(2)7-17(27)20-13(23)3-4-14(24)21(18)20/h3-8,26-27H,1-2H3
HMDB14789	Dyphylline	CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O	InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
HMDB14782	Gonadorelin	CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O	InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)
HMDB14783	Dyclonine	CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1	InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
HMDB14780	Pemetrexed	NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)N1	InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1
HMDB14781	Mebendazole	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1	InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
HMDB14786	Mitotane	ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl	InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
HMDB14787	Stavudine	CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O	InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
HMDB14784	Nystatin	C[C@H]1OC(OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O	InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1
HMDB14785	Propoxyphene	CCC(=O)OC(CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1	InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22?/m1/s1
HMDB00949	Tetrahydrocortisol	C[C@]12C[C@H](O)C3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO	InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12?,13-,14?,15?,16+,18?,19+,20+,21+/m1/s1
HMDB37841	N-(1-Deoxy-1-fructosyl)methionine	CSCCC(NCC(=O)C(O)C(O)C(O)CO)C(O)=O.CSCCC(NCC1(O)OC(CO)C(O)C1O)C(O)=O.CSCCC(NCC1(O)OCC(O)C(O)C1O)C(O)=O	InChI=1S/3C11H21NO7S/c1-20-3-2-6(10(16)17)12-5-11(18)9(15)8(14)7(13)4-19-11;1-20-3-2-6(10(16)17)12-5-11(18)9(15)8(14)7(4-13)19-11;1-20-3-2-6(11(18)19)12-4-7(14)9(16)10(17)8(15)5-13/h2*6-9,12-15,18H,2-5H2,1H3,(H,16,17);6,8-10,12-13,15-17H,2-5H2,1H3,(H,18,19)
HMDB00944	Behenic acid	CCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
HMDB00947	Undecanoic acid	CCCCCCCCCCC(O)=O	InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
HMDB00946	Ursodeoxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)CC2C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1
HMDB00941	Cholest-5-ene	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C	InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
HMDB00940	Threonolactone	O[C@H]1COC(=O)[C@@H]1O	InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1
HMDB00943	Threonic acid	OC[C@@H](O)[C@H](O)C(O)=O	InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1
HMDB00942	Tetrahydroneopterin	NC1=NC(=O)C2=C(NCC(N2)C(O)C(O)CO)N1	InChI=1S/C9H15N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h3-4,6,12,15-17H,1-2H2,(H4,10,11,13,14,18)
HMDB11442	PE(P-18:1(9Z)/18:2(9Z,12Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,33,36,40H,3-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,36-33-/t40-/m1/s1
HMDB11443	PE(P-18:1(9Z)/18:3(6Z,9Z,12Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,33,36,40H,3-11,13,15-16,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB11440	PE(P-18:1(9Z)/18:1(11Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,33,36,40H,3-13,15,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b16-14-,19-17-,36-33-/t40-/m1/s1
HMDB11441	PE(P-18:1(9Z)/18:1(9Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33,36,40H,3-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,20-18-,36-33-/t40-/m1/s1
HMDB11446	PE(P-18:1(9Z)/20:0)	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,35,38,42H,3-17,19,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b20-18-,38-35-/t42-/m1/s1
HMDB11447	PE(P-18:1(9Z)/20:1(11Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,35,38,42H,3-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,38-35-/t42-/m1/s1
HMDB11444	PE(P-18:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,33,36,40H,3-5,7,9-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,36-33-/t40-/m1/s1
HMDB11445	PE(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,33,36,40H,3-5,7,9-11,13,15-16,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB11448	PE(P-18:1(9Z)/20:2(11Z,14Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,38,42H,3-10,12,14-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,38-35-/t42-/m1/s1
HMDB11449	PE(P-18:1(9Z)/20:3(5Z,8Z,11Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,22,24,28,30,35,38,42H,3-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB52762	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,37,40-41,44,59H,4-8,10-11,13-15,17,22,24,26,30,35-36,38-39,42-43,45-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,44-41-
HMDB52763	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,37,40-41,44,46,49,59H,4-8,10-11,13-15,17,22,24,26,30,35-36,38-39,42-43,45,47-48,50-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,44-41-,49-46-
HMDB52760	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,35,39,41-42,44,57H,4-8,10-11,13-15,17,22,24,26,30,34,36-38,40,43,45-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-,44-41-
HMDB52761	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,33-34,41,44,59H,4-8,10-11,13-15,17,22,24,26,30-32,35-40,42-43,45-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-,34-29-,44-41-
HMDB52766	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,35,39,42,57H,4-6,8,11,13-15,17,22,24,26,30,34,36-38,40-41,43-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-
HMDB52767	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,35,39,41-42,44,57H,4-6,8,11,13-15,17,22,24,26,30,34,36-38,40,43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-,44-41-
HMDB52764	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-22,26-31,37,40,55H,4-7,10,13-16,23-25,32-36,38-39,41-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,40-37-
HMDB52765	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-22,26-31,35,37-38,40,55H,4-7,10,13-16,23-25,32-34,36,39,41-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-,40-37-
HMDB52768	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,37,40-41,44,59H,4-6,8,11,13-15,17,22,24,26,30,35-36,38-39,42-43,45-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,44-41-
HMDB50415	TG(20:1(11Z)/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,38,41,47,50,64H,4-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,30-27-,41-38-,50-47-
HMDB14432	Travoprost	CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F	InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1
HMDB14433	Amcinonide	[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC1(CCCC1)O2)C(=O)COC(C)=O	InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1
HMDB14434	Atomoxetine	CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1	InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
HMDB14435	Bleomycin	C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)C1=C(C)C(N)=NC(=N1)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CN=CN1)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C	InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1
HMDB14436	Chlorambucil	OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl	InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)
HMDB14437	Etomidate	CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1	InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
HMDB14438	Raltitrexed	CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O	InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
HMDB14439	Etonogestrel	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
HMDB06464	Elaidic carnitine	CCCCCCCC\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12+
HMDB06465	Leukotriene F4	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)[C@@H](O)CCCC(O)=O	InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1
HMDB06467	4-hydroxybenzoyl-CoA	[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(O)C=C1)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20+,21?,22+,26-/m1/s1
HMDB06460	Arachidyl carnitine	CCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h25H,5-24H2,1-4H3
HMDB06461	Linoelaidyl carnitine	CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+
HMDB06462	Homocysteinesulfinic acid	NC(CCS(O)=O)C(O)=O	InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)
HMDB06463	Stearidonyl carnitine	CC\C=C/C\C=C/CC\C=C/CC\C=C/CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h6-7,9-10,13-14,17-18,23H,5,8,11-12,15-16,19-22H2,1-4H3/b7-6-,10-9-,14-13-,18-17-
HMDB06468	4-Hydroxydebrisoquine	NC(=N)N1CC(O)C2=C(C1)C=CC=C2	InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)
HMDB06469	Linoleyl carnitine	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1
HMDB29869	Hemiariensin	CC(=O)OCC(CC1=CC2=C(OCO2)C=C1)C(CO)CC1=CC2=C(OCO2)C=C1	InChI=1S/C22H24O7/c1-14(24)25-11-18(7-16-3-5-20-22(9-16)29-13-27-20)17(10-23)6-15-2-4-19-21(8-15)28-12-26-19/h2-5,8-9,17-18,23H,6-7,10-13H2,1H3
HMDB29868	Mangostanol	COC1=C(O)C=C2OC3=C(C(O)=C4CC(O)C(C)(C)OC4=C3)C(=O)C2=C1CC=C(C)C	InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3
HMDB29863	(3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol	CC(C)\C=C/C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-8,17-18,20-24,27H,9-16H2,1-5H3/b7-6-
HMDB37753	3,3',4',5,7,8-Hexahydroxyflavone; 4',8-Di-Me ether, 3-O-b-D-glucopyranoside	COC1=C(O)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O	InChI=1S/C23H24O13/c1-32-12-4-3-8(5-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3
HMDB29861	Enrofloxacin	CCN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O	InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
HMDB29867	Isoelemicin	COC1=CC(\C=C\C)=CC(OC)=C1OC	InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
HMDB29866	(S)-4',5,7-Trihydroxy-3'-prenylflavanone	CC(C)=CCC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3
HMDB10429	TG(18:0/14:0/18:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,50H,4-23,25,27-49H2,1-3H3/b26-24-/t50-/m0/s1
HMDB10428	TG(18:0/14:0/18:1(11Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,50H,4-18,20-21,23-49H2,1-3H3/b22-19-/t50-/m0/s1
HMDB29865	Umbelliferone	OC1=CC2=C(C=C1)C=CC(=O)O2	InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
HMDB10423	TG(16:1(9Z)/16:0/18:1(11Z))[iso6]	[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19-20,22-23,50H,4-18,21,24-49H2,1-3H3/b22-19-,23-20-/t50-/m1/s1
HMDB10422	TG(16:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,48H,4-15,17-18,21-22,26-47H2,1-3H3/b19-16-,23-20-,25-24-/t48-/m1/s1
HMDB10421	TG(16:1(9Z)/14:0/18:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23-25,48H,4-19,21-22,26-47H2,1-3H3/b23-20-,25-24-/t48-/m1/s1
HMDB10420	TG(16:1(9Z)/14:0/18:1(11Z))[iso6]	[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-/t48-/m1/s1
HMDB10427	TG(18:0/14:0/18:0)[iso3]	[H]C(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB10426	TG(18:0/14:0/16:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,48H,4-19,21-22,24-47H2,1-3H3/b23-20-/t48-/m0/s1
HMDB10425	TG(16:1(9Z)/18:0/18:1(11Z))[iso6]	[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,52H,4-18,20,23,25-51H2,1-3H3/b22-19-,24-21-/t52-/m1/s1
HMDB10424	TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,50H,4-6,8-9,11-15,17-18,21-22,24,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-/t50-/m1/s1
HMDB07737	DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,39,42H,3-4,6,8-10,12,15,19,22-23,26-38H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-/t39-/m0/s1
HMDB07736	DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,39,42H,3-4,6,8-10,12,14-16,19,22-23,26-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-24-/t39-/m0/s1
HMDB07735	DG(22:5(7Z,10Z,13Z,16Z,19Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-/t38-/m0/s1
HMDB07734	DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,37,40H,3-4,6,8-9,14-15,18,21,23,25-36H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
HMDB07733	DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
HMDB07732	DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,47,50H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1
HMDB07731	DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,37,39,47,50H,3-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b14-12-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1
HMDB07730	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,35-38,45,48H,3-5,7,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1
HMDB12494	1-Diphosinositol pentakisphosphate	OP(O)(=O)O[C@H]1[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O	InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m0/s1
HMDB54354	TG(22:2(13Z,16Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,55H,4-7,9-10,12-15,18,21-24,28-30,32-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-
HMDB12496	1-Lyso-2-arachidonoyl-phosphatidate	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])([O-])=O	InChI=1S/C23H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)30-22(20-24)21-29-31(26,27)28/h6-7,9-10,12-13,15-16,22,24H,2-5,8,11,14,17-21H2,1H3,(H2,26,27,28)/p-2/b7-6-,10-9-,13-12-,16-15-/t22-/m1/s1
HMDB12497	1-pyrroline	C1CC=NC1	InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2
HMDB12490	1,2-Dehydrosalsolinol	CC1=NCCC2=C1C=C(O)C(O)=C2	InChI=1S/C10H11NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-5,12-13H,2-3H2,1H3
HMDB12491	1,4-benzothiazine-o-quinonimine	N[C@H](CC1=CC(=O)C2=N[C@H](CSC2=C1)C(O)=O)C(O)=O	InChI=1S/C12H12N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6-7H,1,4,13H2,(H,16,17)(H,18,19)/t6-,7-/m1/s1
HMDB12492	1-(1,2,3,4,5-pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate	OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=C2C=CC=C1)C([O-])=O	InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)/p-1
HMDB07738	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,41,44H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,27-25-/t41-/m0/s1
HMDB52539	TG(18:2(9Z,12Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26,28-29,31,55H,4-7,9-10,12-16,18,23,25,27,30,32-54H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,29-26-,31-28-
HMDB56843	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB56842	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB56841	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB56840	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-48,51-52,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,49-50,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-/t79?,80-,81-/m1/s1
HMDB56847	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,46,50,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-/t77?,78-,79-/m1/s1
HMDB56846	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-/t75?,76-,77-/m1/s1
HMDB44334	TG(16:0/20:3n6/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,54H,4-15,17-18,20-24,26,28-29,31-32,34-53H2,1-3H3/b19-16-,27-25-,33-30-
HMDB56844	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-37,40-43,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,38-39,44-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58867	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-40,42,45-48,51-53,57,59-60,63-65,69,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,49-50,54-56,58,61-62,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,51-47-,52-48-,57-53-,63-59-,64-60-,69-65-/t84?,85-,86-/m1/s1
HMDB58866	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-40,42,45-48,51-53,57,59-60,63-64,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,49-50,54-56,58,61-62,65-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,51-47-,52-48-,57-53-,63-59-,64-60-/t84?,85-,86-/m1/s1
HMDB56849	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-37,40-44,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB56848	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB58863	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-76-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(77-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-39,42-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35,40-41,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB58862	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-76-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(77-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,29-30,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB58861	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(75-95-81(86)68-64-60-56-52-48-45-41-38-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-38,41-43,46-47,53,55,57,59,78-80,85H,5-20,23-24,29-30,35,39-40,44-45,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,41-38-,46-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1
HMDB58860	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-76-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(77-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB52538	TG(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,31-32,34,37,40,46,49,59H,4-15,17-18,22,26-27,30,33,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,40-37-,49-46-
HMDB57119	CL(18:0/18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,35,37,40,42,46,54,58,77-79,84H,5-20,22-24,26-27,29-31,34,36,38-39,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,40-35-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB05469	TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,42,45,58H,4-15,17,20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-,45-42-/t58-/m1/s1
HMDB05468	TG(18:2(9Z,12Z)/20:0/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32,58H,4-17,19-20,22-24,26,29-31,33-57H2,1-3H3/b21-18-,28-25-,32-27-/t58-/m1/s1
HMDB05465	TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,43,46,60H,4-15,17-18,20-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m0/s1
HMDB05464	TG(20:1(11Z)/20:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,60H,4-24,31-59H2,1-3H3/b28-25-,29-26-,30-27-
HMDB05467	TG(18:2(9Z,12Z)/20:0/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,58H,4-17,19-20,22-26,28-31,33-57H2,1-3H3/b21-18-,32-27-/t58-/m1/s1
HMDB05466	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,60H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m0/s1
HMDB05461	TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,54H,4-15,17,20,22-24,31-53H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-/t54-/m0/s1
HMDB05460	TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25-28,30-31,56H,4-17,19-20,22-24,29,32-55H2,1-3H3/b21-18-,28-25-,30-26-,31-27-/t56-/m1/s1
HMDB05463	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-34,36-37,42-43,45-46,58H,4-15,18,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m1/s1
HMDB05462	TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-32,34,40,43,56H,4-15,17,20,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB47548	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,56,59,68H,4-16,19,22-25,28,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-
HMDB03705	Phosphoguanidinoacetate	N\C(NP(O)(O)=O)=N/CC(O)=O	InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11)
HMDB03701	Dimethylbenzimidazole	CC1=CC2=C(C=C1C)N=CN2	InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
HMDB43672	TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,34,37,52H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-33,35-36,38-51H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-,37-34-
HMDB52301	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,40,48,51,66H,4-8,10-11,13-17,19-20,22-24,30-39,41-47,49-50,52-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,40-27-,51-48-
HMDB04078	Cinnavalininate	NC1=C(C(O)=O)C2=NC3=C(C=CC=C3OC2=CC1=O)C(O)=O	InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)
HMDB00174	L-Fucose	C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
HMDB00175	Inosinic acid	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O	InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
HMDB00176	Maleic acid	OC(=O)\C=C/C(O)=O	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
HMDB00177	L-Histidine	N[C@@H](CC1=CNC=N1)C(O)=O	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
HMDB00172	L-Isoleucine	CC[C@H](C)[C@H](N)C(O)=O	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
HMDB09295	PE(20:2(11Z,14Z)/20:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43H,3-10,12,14-16,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-/t43-/m1/s1
HMDB43673	TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,38,53H,4-7,9-10,12-15,18,21-24,28,32-34,36-37,39-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-
HMDB57079	CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,38,42,48,52,73-75,80H,5-20,22-24,26,29-30,34,36-37,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,42-38-,52-48-/t73?,74-,75-/m1/s1
HMDB57078	CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,43,50,54,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57075	CL(18:0/16:1(9Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB57074	CL(18:0/16:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32,34-35,37-38,73-75,80H,5-27,29-31,33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB57077	CL(18:0/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB57076	CL(18:0/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB57071	CL(18:0/16:1(9Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32,34,37,73-75,80H,5-27,29-31,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB57070	CL(18:0/16:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32,35,38,73-75,80H,5-25,27,29,31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-,38-35-/t73?,74-,75-/m1/s1
HMDB57073	CL(18:0/16:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-32,34,37,73-75,80H,5-26,29-30,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB57072	CL(18:0/16:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-33,35,71-73,78H,5-26,29-30,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-/t71?,72-,73-/m1/s1
HMDB49002	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,41,44,56H,4-6,9,12-15,18,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB09298	PE(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,24,26,30,32,43H,3-10,12,14-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1
HMDB09299	PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,43H,3-10,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,26-24-/t43-/m1/s1
HMDB43676	TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,33,36-37,40,55H,4-7,9-10,12-15,18,21-24,28,32,34-35,38-39,41-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-
HMDB43677	TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,33,36-37,40,42,45,55H,4-7,9-10,12-15,18,21-24,28,32,34-35,38-39,41,43-44,46-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-,45-42-
HMDB57457	CL(16:1(9Z)/18:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32-33,36,73-75,80H,5-27,29-31,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-/t73?,74-,75-/m1/s1
HMDB57456	CL(16:1(9Z)/18:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,35,38,73-75,80H,5-24,26-27,30-31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-,38-35-/t73?,74-,75-/m1/s1
HMDB57455	CL(16:1(9Z)/18:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,73-75,80H,5-24,26,30,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,31-27-,32-28-/t73?,74-,75-/m1/s1
HMDB31563	4-Methyl-3-penten-2-one, 9CI	CC(C)=CC(C)=O	InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
HMDB31562	2-Methyl-3-pentenoic acid	C\C=C/C(C)C(O)=O	InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3-
HMDB31561	4-Methyl-2-pentenoic acid	CC(C)\C=C/C(O)=O	InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3-
HMDB31560	2-Methyl-2-pentenoic acid	CC\C=C(\C)C(O)=O	InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4-
HMDB31567	3-Methyl-4-phenyl-3-buten-2-one	CC(=O)C(\C)=C/C1=CC=CC=C1	InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8-
HMDB31566	2-Methyl-3-phenyl-2-propenal	C\C(C=O)=C\C1=CC=CC=C1	InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7-
HMDB31565	Dihydrojasmone	CCCCCC1=C(C)CCC1=O	InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
HMDB31564	4-Methyl-4-penten-2-one	CC(=C)CC(C)=O	InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3
HMDB57453	CL(16:1(9Z)/18:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,73-75,80H,5-24,26-27,30-31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-/t73?,74-,75-/m1/s1
HMDB31569	4-Methyl-1-phenyl-2-pentanone	CC(C)CC(=O)CC1=CC=CC=C1	InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
HMDB31568	4-Methyl-1-phenyl-2-pentanol	CC(C)CC(O)CC1=CC=CC=C1	InChI=1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
HMDB57452	CL(16:1(9Z)/18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB02158	Coproporphyrinogen I	CC1=C2CC3=C(CCC(O)=O)C(C)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3	InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
HMDB02159	3a,7a-Dihydroxy-5b-cholestanoyl-CoA	[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26?,27?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1
HMDB35271	Rotundine A	CC(=O)CCC1CC2=C(C=CN=C2C)C1(C)C	InChI=1S/C15H21NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,12H,5-6,9H2,1-4H3
HMDB35270	3-Oxo-12-oleanen-28-oic acid; Me ester	COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2	InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3
HMDB35277	p-Mentha-1(7),5-dien-2-ol; (2S,4R)-form	CC(C)C1CC(O)C(=C)C=C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,7,9-11H,3,6H2,1-2H3
HMDB35276	8alpha-13(16),14-Labdadien-8-ol	CC1(C)CCCC2(C)C(CCC(=C)C=C)C(C)(O)CCC12	InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3
HMDB35275	Isomyristicin	COC1=C2OCOC2=CC(\C=C\C)=C1	InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+
HMDB35274	Momodicaursenol	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2=C1C	InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19,22-24,31H,10-18H2,1-8H3
HMDB02150	O-b-D-glucopyranosyl-(1-&gt;3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1-&gt;3)-O-[6-deoxy-a-L-galactopyranosyl-(1-&gt;4)]-O-b-D-galactopyranosyl-(1-&gt;4)-O-[6-deoxy-a-L-galactopyranosyl-(1-&gt;3)]-D-Glucose	C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O[C@@H]2C[C@H](CO)[C@H](OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C39H67NO28/c1-10-20(49)25(54)28(57)37(60-10)65-31-13(5-41)4-16(62-32(14(47)6-42)33(15(48)7-43)66-38-29(58)26(55)21(50)11(2)61-38)23(52)35(31)68-36-19(40-12(3)46)34(24(53)18(9-45)63-36)67-39-30(59)27(56)22(51)17(8-44)64-39/h7,10-11,13-39,41-42,44-45,47-59H,4-6,8-9H2,1-3H3,(H,40,46)/t10-,11-,13+,14+,15-,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32+,33+,34+,35+,36-,37?,38-,39-/m0/s1
HMDB02151	Dimethyl sulfoxide	CS(C)=O	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
HMDB02152	11-cis-Retinaldehyde	C/C(/C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+
HMDB35278	28-Hydroxy-6-methyl-5-tritriacontanone	CCCCCC(O)CCCCCCCCCCCCCCCCCCCCCC(C)C(=O)CCCC	InChI=1S/C34H68O2/c1-4-6-25-29-33(35)30-27-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-26-28-32(3)34(36)31-7-5-2/h32-33,35H,4-31H2,1-3H3
HMDB02156	3a,20b-Pregnanediol	[H][C@@]12CC[C@H]([C@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C	InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14?,15+,16-,17+,18-,19-,20-,21+/m0/s1
HMDB02157	27-Norcholestanehexol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO	InChI=1S/C26H46O6/c1-14(4-7-20(29)22(31)13-27)17-5-6-18-24-19(12-23(32)26(17,18)3)25(2)9-8-16(28)10-15(25)11-21(24)30/h14-24,27-32H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20?,21-,22?,23+,24+,25+,26-/m1/s1
HMDB52534	TG(18:2(9Z,12Z)/18:1(11Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,32-33,35,57H,4-15,17-18,22,26-27,30-31,34,36-56H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-29-,35-33-
HMDB57929	CL(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57928	CL(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57927	CL(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57926	CL(18:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB57925	CL(18:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57924	CL(18:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,36-37,39-40,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-35,38,41-42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB57923	CL(18:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1
HMDB57922	CL(18:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1
HMDB57921	CL(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB57920	CL(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB43928	TG(16:0/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,53H,4-12,14-15,17-21,23-24,26-52H2,1-3H3/b16-13-,25-22-
HMDB43929	TG(16:0/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-
HMDB51248	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,34,37-38,41,43,46-47,50,64H,4-16,18-19,21-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB43927	TG(16:0/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,33,36,52H,4-15,17-18,20-24,26,28-32,34-35,37-51H2,1-3H3/b19-16-,27-25-,36-33-
HMDB43924	TG(16:0/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB43925	TG(16:0/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB43923	TG(16:0/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,38,41,54H,4-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b27-25-,32-30-,41-38-
HMDB30212	Mukonicine	COC1=CC(OC)=C2NC3=C(C=C(C)C4=C3C=CC(C)(C)O4)C2=C1	InChI=1S/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3
HMDB30213	(S)-Laudanosine	COC1=CC=C(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1OC	InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
HMDB30210	Koenimbine	COC1=CC=C2NC3=C(C=C(C)C4=C3C=CC(C)(C)O4)C2=C1	InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3
HMDB30211	(R)-Laudanidine	COC1=CC=C(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1O	InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3
HMDB30216	Mukonal	OC1=CC2=C(C=C1C=O)C1=CC=CC=C1N2	InChI=1S/C13H9NO2/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13(8)16/h1-7,14,16H
HMDB30217	Launobine	COC1=C(O)C2=C(CC3NCCC4=C3C2=C2OCOC2=C4)C=C1	InChI=1S/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3
HMDB30214	Mukonidine	COC(=O)C1=CC2=C(NC3=CC=CC=C23)C=C1O	InChI=1S/C14H11NO3/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16/h2-7,15-16H,1H3
HMDB30215	Clausine L	COC(=O)C1=CC2=C(NC3=CC=CC=C23)C=C1OC	InChI=1S/C15H13NO3/c1-18-14-8-13-10(7-11(14)15(17)19-2)9-5-3-4-6-12(9)16-13/h3-8,16H,1-2H3
HMDB30218	Lansine	OC1=CC=C2NC3=C(C=C(C=O)C(O)=C3)C2=C1	InChI=1S/C13H9NO3/c15-6-7-3-9-10-4-8(16)1-2-11(10)14-12(9)5-13(7)17/h1-6,14,16-17H
HMDB30219	Heptaphylline	CC(C)=CCC1=C(O)C(C=O)=CC2=C1NC1=CC=CC=C21	InChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3
HMDB40206	Allyl 3-cyclohexylpropionate	C=CCOC(=O)CCC1CCCCC1	InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
HMDB40207	Ethyl hydrogen fumarate	CCOC(=O)\C=C/C(O)=O	InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3-
HMDB40204	3-Hydroxy-2-methylenebutanoic acid, 9CI; (x)-form, 2-Methylbutyl ester	CCC(C)COC(=O)C(=C)C(C)O	InChI=1S/C10H18O3/c1-5-7(2)6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3
HMDB40205	3-Hydroxy-2-methylenebutanoic acid, 9CI; (x)-form, 3-Methylbutyl ester	CC(C)CCOC(=O)C(=C)C(C)O	InChI=1S/C10H18O3/c1-7(2)5-6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3
HMDB40202	3-Hydroxy-2-methylenebutanoic acid, 9CI; (x)-form, Butyl ester	CCCCOC(=O)C(=C)C(C)O	InChI=1S/C9H16O3/c1-4-5-6-12-9(11)7(2)8(3)10/h8,10H,2,4-6H2,1,3H3
HMDB40203	3-Hydroxy-2-methylenebutanoic acid, 9CI; (x)-form, 2-Methylpropyl ester	CC(C)COC(=O)C(=C)C(C)O	InChI=1S/C9H16O3/c1-6(2)5-12-9(11)7(3)8(4)10/h6,8,10H,3,5H2,1-2,4H3
HMDB40200	2,5-Dimethyl-3-(methyldithio)furan	CSSC1=C(C)OC(C)=C1	InChI=1S/C7H10OS2/c1-5-4-7(10-9-3)6(2)8-5/h4H,1-3H3
HMDB40201	3,3'-Dithiobis[2-methylfuran]	CC1=C(SSC2=C(C)OC=C2)C=CO1	InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3
HMDB51187	TG(20:3(5Z,8Z,11Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,33,35,37,40-41,44,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32,34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-,44-41-
HMDB03282	1-Methylguanine	CN1C(N)=NC2=C(NC=N2)C1=O	InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
HMDB51185	TG(20:3(5Z,8Z,11Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,36,38-39,42,44,47-48,51,61H,4-14,17,20-23,30-31,33,35,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-,51-48-
HMDB51184	TG(20:3(5Z,8Z,11Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,36,38-39,42,44,47,61H,4-14,17,20-23,30-31,33,35,37,40-41,43,45-46,48-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-
HMDB51183	TG(20:3(5Z,8Z,11Z)/20:2n6/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,36,38,44,47,61H,4-14,17,20-23,30-35,37,39-43,45-46,48-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,38-36-,47-44-
HMDB51182	TG(20:3(5Z,8Z,11Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,34-37,42-43,45-46,59H,4-14,17,20-23,30-33,38-41,44,47-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-,46-43-
HMDB40208	2-Propenyl heptanoate	CCCCCCC(=O)OCC=C	InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3
HMDB40209	Ethyl hexanoate	CCCCCC(=O)OCC	InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
HMDB09324	PE(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,27,29,41H,3-11,13,15-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB49486	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30,32,35-36,39,41,44,56H,4-7,9-10,12-15,18,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB49485	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30,32,35,41,44,56H,4-7,9-10,12-15,18,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-
HMDB49484	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-15,18,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB49483	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-15,18,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB43533	TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,38,41,53H,4-7,9-10,12-15,18,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-
HMDB49482	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,36,39,45,48,60H,4-15,18,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,39-36-,48-45-
HMDB49481	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-15,18,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB49480	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-34,36-37,43,46,58H,4-15,18,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB08163	PC(18:3(6Z,9Z,12Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h14,16,19-20,23-24,38H,6-13,15,17-18,21-22,25-37H2,1-5H3/b16-14-,20-19-,24-23-/t38-/m1/s1
HMDB08162	PC(18:2(9Z,12Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,36,39,43H,6-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,39-36-
HMDB08161	PC(18:2(9Z,12Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,36,39,43H,6-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,39-36-
HMDB08160	PC(18:2(9Z,12Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,36,39,43H,6-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,39-36-
HMDB08167	PC(18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,24,26,40H,6-13,15,18,22-23,25,27-39H2,1-5H3/b16-14-,19-17-,21-20-,26-24-/t40-/m1/s1
HMDB08166	PC(18:3(6Z,9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16,20-21,24,26,40H,6-13,15,17-19,22-23,25,27-39H2,1-5H3/b16-14-,21-20-,26-24-/t40-/m1/s1
HMDB08165	PC(18:3(6Z,9Z,12Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h14,16,20-21,24-25,39H,6-13,15,17-19,22-23,26-38H2,1-5H3/b16-14-,21-20-,25-24-/t39-/m1/s1
HMDB08164	PC(18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13-16,19-20,23-24,38H,6-12,17-18,21-22,25-37H2,1-5H3/b15-13-,16-14-,20-19-,24-23-/t38-/m1/s1
HMDB08169	PC(18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,26,28,42H,6-13,15,18,21,23-25,27,29-41H2,1-5H3/b16-14-,19-17-,22-20-,28-26-/t42-/m1/s1
HMDB08168	PC(18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,42H,6-13,15,17-19,21,23-25,27,29-41H2,1-5H3/b16-14-,22-20-,28-26-/t42-/m1/s1
HMDB51459	TG(22:1(13Z)/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-
HMDB09322	PE(20:3(5Z,8Z,11Z)/18:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22-23,27,29,41H,3-13,15,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-,23-22-,29-27-/t41-/m1/s1
HMDB55565	TG(20:4(8Z,11Z,14Z,17Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-60H2,1-3H3/b11-8-,20-17-,29-26-,38-35-
HMDB55564	TG(20:4(8Z,11Z,14Z,17Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,51,54,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB55567	TG(20:4(8Z,11Z,14Z,17Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,38-39,41-42,47,50,64H,4-7,10,13-16,19,22-25,28,31-37,40,43-46,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-
HMDB55566	TG(20:4(8Z,11Z,14Z,17Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,38-39,41-42,64H,4-7,10,13-16,19,22-25,28,31-37,40,43-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-
HMDB55561	TG(20:4(8Z,11Z,14Z,17Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,62H,4-7,10,13-16,19,22-25,28,31-35,38,41-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-
HMDB55560	TG(20:4(8Z,11Z,14Z,17Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-58H2,1-3H3/b10-7-,19-16-,28-25-,36-33-
HMDB55563	TG(20:4(8Z,11Z,14Z,17Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-
HMDB55562	TG(20:4(8Z,11Z,14Z,17Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45,48,62H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB55569	TG(20:4(8Z,11Z,14Z,17Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,53,56,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-
HMDB55568	TG(20:4(8Z,11Z,14Z,17Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-
HMDB41559	Butyl heptanoate	CCCCCCC(=O)OCCCC	InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
HMDB41558	3-(Methylthio)-2-butanone	CSC(C)C(C)=O	InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3
HMDB41551	3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide	COC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C	InChI=1S/C16H24O5/c1-8-12-13(20-4)15(3)9(2)11(17)6-5-10(15)7-16(12,19)21-14(8)18/h9-11,13,17,19H,5-7H2,1-4H3
HMDB09320	PE(20:3(5Z,8Z,11Z)/16:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,25,27,39H,3-13,15,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b16-14-,18-17-,22-20-,27-25-/t39-/m1/s1
HMDB41553	Methylisoeugenol	COC1=C(OC)C=C(\C=C/C)C=C1	InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-
HMDB41552	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 1-O-b-D-Xylopyranoside	COC1=CC(CCCO)=CC=C1OC(CO)COC1OCC(O)C(O)C1O	InChI=1S/C18H28O9/c1-24-15-7-11(3-2-6-19)4-5-14(15)27-12(8-20)9-25-18-17(23)16(22)13(21)10-26-18/h4-5,7,12-13,16-23H,2-3,6,8-10H2,1H3
HMDB41555	cis-Miyabenol C	OC1=CC=C(\C=C\C2=CC(O)=CC3=C2C(C(O3)C2=CC=C(O)C=C2)C2=CC(O)=CC3=C2C(C(O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1	InChI=1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+
HMDB41554	Artemisyl propionate	CCC(=O)OC(C=C(C)C)C(C)(C)C=C	InChI=1S/C13H22O2/c1-7-12(14)15-11(9-10(3)4)13(5,6)8-2/h8-9,11H,2,7H2,1,3-6H3
HMDB41557	Foeniculoside III	OCC1OC(OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3)C(=C2)C2C(OC3=C2C(\C=C\C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-34-17-28(16-32(60)18-34)42-43-36(20-35(69-54-50(67)48(65)46(63)40(23-56)73-54)21-38(43)71-51(42)25-5-11-30(58)12-6-25)44-41-27(4-1-24-2-9-29(57)10-3-24)15-33(61)19-37(41)70-52(44)26-7-13-31(59)14-8-26/h1-21,39-40,42,44-67H,22-23H2/b4-1+
HMDB41556	Foeniculoside I	OCC1OC(OC2=CC(O)=CC(=C2)C2C(OC3=C2C(=CC(O)=C3)C2C(OC3=C2C(\C=C\C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-17-27(16-31(53)18-34)40-41-35(19-33(55)21-37(41)61-46(40)24-5-11-29(51)12-6-24)42-39-26(4-1-23-2-9-28(50)10-3-23)15-32(54)20-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+
HMDB45480	TG(20:0/14:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,17,48H,4-13,15-16,18-47H2,1-3H3/b17-14-
HMDB14816	Losartan	CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1	InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
HMDB14817	Thioridazine	CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1	InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
HMDB14814	Benzyl Benzoate	O=C(OCC1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
HMDB59005	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,27,29-31,38-39,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,40-35-,44-41-,45-42-,55-51-,56-52-/t77?,78-,79-/m1/s1
HMDB14812	Galantamine	[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3	InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
HMDB14813	Tamoxifen	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
HMDB42118	TG(14:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-
HMDB42119	TG(14:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,38,41,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-,41-38-
HMDB14810	Chlorpropamide	CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1	InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
HMDB42110	TG(14:0/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,33,36,49H,4-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b19-16-,25-24-,28-27-,36-33-
HMDB42111	TG(14:0/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h16,19,24-25,51H,4-15,17-18,20-23,26-50H2,1-3H3/b19-16-,25-24-
HMDB42112	TG(14:0/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,51H,4-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-
HMDB42113	TG(14:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,38,41,51H,4-15,17-18,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-,41-38-
HMDB42114	TG(14:0/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,47H,4-6,8-9,11-15,17-18,20-23,26-46H2,1-3H3/b10-7-,19-16-,25-24-
HMDB42115	TG(14:0/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,29,31,47H,4-6,8-9,11-15,17-18,20-23,26-28,30,32-46H2,1-3H3/b10-7-,19-16-,25-24-,31-29-
HMDB42116	TG(14:0/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,49H,4-6,8-9,11-15,17-18,20-23,26,29-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-
HMDB42117	TG(14:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,33,36,49H,4-6,8-9,11-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,36-33-
HMDB36214	6-O-(3,4-Dihydroxycinnamoyl)glucose; b-D-Pyranose-form, 3'-Me ether, 2,3,4-trihydroxy-3-methylbutyl glycoside	COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OCC(O)C(C)(O)CO)C(O)C(O)C2O)=C1	InChI=1S/C21H30O12/c1-21(29,10-22)15(24)9-32-20-19(28)18(27)17(26)14(33-20)8-31-16(25)6-4-11-3-5-12(23)13(7-11)30-2/h3-7,14-15,17-20,22-24,26-29H,8-10H2,1-2H3/b6-4+
HMDB36215	2-Nonynoic acid, 9CI, 8CI; Et ester	CCCCCCC#CC(=O)OCC	InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3
HMDB36216	Hexyl octanoate	CCCCCCCC(=O)OCCCCCC	InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
HMDB36217	Pentyl octanoate	CCCCCCCC(=O)OCCCCC	InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3
HMDB36210	Dodecyl 2-methylpropanoate	CCCCCCCCCCCCOC(=O)C(C)C	InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3
HMDB36211	Hexyl crotonate	CCCCCCOC(=O)\C=C/C	InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4-
HMDB36212	2-Methylpropyl (2E)-butenoate	C\C=C/C(=O)OCC(C)C	InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4-
HMDB36213	cis-3-Hexenyl lactate	CC\C=C/CCOC(=O)C(C)O	InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-
HMDB36218	Heptyl octanoate	CCCCCCCOC(=O)CCCCCCC	InChI=1S/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3
HMDB36219	Octyl 2-methylbutyrate	CCCCCCCCOC(=O)C(C)CC	InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3
HMDB59008	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-49-45-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,40,43-45,48-50,54-56,59-60,62,66,81-83,88H,5-20,24,29-31,39,41-42,46-47,51-53,57-58,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,59-55-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB59009	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-49-45-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43-45,48-50,54-56,59-60,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,46-47,51-53,57-58,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,59-55-,60-56-/t81?,82-,83-/m1/s1
HMDB48687	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,41,44,56H,4-15,17-18,20,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB29049	Serinyl-Threonine	CC(O)C(N)C(=O)NC(CO)C(O)=O	InChI=1S/C7H14N2O5/c1-3(11)5(8)6(12)9-4(2-10)7(13)14/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)
HMDB29048	Serinyl-Serine	NC(CO)C(=O)NC(CO)C(O)=O	InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)
HMDB29045	Serinyl-Methionine	CSCCC(N)C(=O)NC(CO)C(O)=O	InChI=1S/C8H16N2O4S/c1-15-3-2-5(9)7(12)10-6(4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)
HMDB29044	Serinyl-Lysine	NCCCCC(N)C(=O)NC(CO)C(O)=O	InChI=1S/C9H19N3O4/c10-4-2-1-3-6(11)8(14)12-7(5-13)9(15)16/h6-7,13H,1-5,10-11H2,(H,12,14)(H,15,16)
HMDB29047	Serinyl-Proline	OCC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)
HMDB29046	Serinyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CO)C(O)=O	InChI=1S/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(16)14-10(7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)
HMDB29041	Serinyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CO)C(O)=O	InChI=1S/C9H14N4O4/c10-6(1-5-2-11-4-12-5)8(15)13-7(3-14)9(16)17/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)
HMDB29040	Serinyl-Hydroxyproline	OCC(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)
HMDB29043	Serinyl-Leucine	CC(C)CC(N)C(=O)NC(CO)C(O)=O	InChI=1S/C9H18N2O4/c1-5(2)3-6(10)8(13)11-7(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
HMDB29042	Serinyl-Isoleucine	CCC(C)C(N)C(=O)NC(CO)C(O)=O	InChI=1S/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
HMDB48689	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,34,37,43,46,58H,4-15,17-18,20,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,37-34-,46-43-
HMDB52475	TG(18:2(9Z,12Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35-36,39,45,48,61H,4-16,18-19,22-23,25,27-28,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b20-17-,24-21-,29-26-,35-30-,39-36-,48-45-
HMDB52473	TG(18:2(9Z,12Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14,17,21,23-24,26,30,35,60H,4-13,15-16,18-20,22,25,27-29,31-34,36-59H2,1-3H3/b17-14-,24-21-,26-23-,35-30-
HMDB45669	TG(20:0/14:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-
HMDB45668	TG(20:0/14:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,56H,4-14,16-17,19-23,25,27-55H2,1-3H3/b18-15-,26-24-
HMDB45663	TG(20:0/14:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,20,23,50H,4-14,16-17,19,21-22,24-49H2,1-3H3/b18-15-,23-20-
HMDB45662	TG(20:0/14:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-15,17-18,48H,4-13,16,19-47H2,1-3H3/b17-14-,18-15-
HMDB45661	TG(20:0/14:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-
HMDB45660	TG(20:0/14:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-
HMDB45667	TG(20:0/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,30,32,37,40,54H,4-14,16-17,19-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b18-15-,26-24-,32-30-,40-37-
HMDB45666	TG(20:0/14:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,54H,4-14,16-17,19-23,25,27-53H2,1-3H3/b18-15-,26-24-
HMDB45665	TG(20:0/14:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,25,28,52H,4-14,16-17,19-24,26-27,29-51H2,1-3H3/b18-15-,28-25-
HMDB45664	TG(20:0/14:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-
HMDB36966	Oleanolic acid glycosyl esters; Monoglycosides, Me ether, b-D-glucopyranosyl ester	COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CCC32C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1(C)C	InChI=1S/C37H60O8/c1-32(2)15-17-37(31(42)45-30-29(41)28(40)27(39)23(20-38)44-30)18-16-35(6)21(22(37)19-32)9-10-25-34(5)13-12-26(43-8)33(3,4)24(34)11-14-36(25,35)7/h9,22-30,38-41H,10-20H2,1-8H3
HMDB36967	3-Hydroxy-12-oleanen-28-oic acid; 3b-form, 3-Hexadecanoyl	CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CCC32C)C(O)=O)C1(C)C	InChI=1S/C46H78O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39(47)50-38-26-27-43(6)36(42(38,4)5)25-28-45(8)37(43)24-23-34-35-33-41(2,3)29-31-46(35,40(48)49)32-30-44(34,45)7/h23,35-38H,9-22,24-33H2,1-8H3,(H,48,49)
HMDB36964	Eleutheroside M	CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O	InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3
HMDB36965	Eleutheroside L	CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(COC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)C3(C)C)C(O)C2O)C(O)C(O)C1O	InChI=1S/C59H96O25/c1-24-34(61)38(65)43(70)50(77-24)80-30-23-76-49(42(69)37(30)64)82-33-13-14-56(7)31(55(33,5)6)12-15-58(9)32(56)11-10-26-27-20-54(3,4)16-18-59(27,19-17-57(26,58)8)53(74)84-52-45(72)40(67)36(63)29(81-52)22-75-48-46(73)41(68)47(28(21-60)79-48)83-51-44(71)39(66)35(62)25(2)78-51/h10,24-25,27-52,60-73H,11-23H2,1-9H3
HMDB36962	3-Epioleanolic acid	[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1
HMDB36963	Oleanolic acid bisdesmosides; Diglycosides, 3-O-a-L-Arabinopyranoside, 28-O-b-D-glucopyranosyl ester	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C41H66O12/c1-36(2)14-16-41(35(49)53-34-32(48)30(46)29(45)24(19-42)51-34)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-33-31(47)28(44)23(43)20-50-33/h8,22-34,42-48H,9-20H2,1-7H3
HMDB36960	13(18)-Ursen-3-ol; 3b-form, Ac	CC1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)=C2C1C	InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h20-21,24-26H,10-19H2,1-9H3
HMDB36961	(3beta,6alpha,19alpha)-3,6,19-Trihydroxy-12-ursen-28-oic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC34C)C2C1(C)O)C(O)=O	InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)
HMDB46312	TG(22:0/16:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,58H,4-25,27,29-57H2,1-3H3/b28-26-
HMDB46313	TG(22:0/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,36,41,44,58H,4-25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b28-26-,36-33-,44-41-
HMDB46310	TG(22:0/16:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB46311	TG(22:0/16:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h26,31,56H,4-25,27-30,32-55H2,1-3H3/b31-26-
HMDB46316	TG(22:0/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h20,23,28,32,57H,4-19,21-22,24-27,29-31,33-56H2,1-3H3/b23-20-,32-28-
HMDB46317	TG(22:0/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,36,39,56H,4-16,18-19,21-25,27-30,32-35,37-38,40-55H2,1-3H3/b20-17-,31-26-,39-36-
HMDB36968	Araliasaponin II	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H76O19/c1-42(2)13-14-47(41(60)66-40-35(58)33(56)31(54)25(18-49)63-40)22(15-42)21-7-8-27-43(3)11-10-29(44(4,20-50)26(43)9-12-45(27,5)46(21,6)16-28(47)52)64-38-36(59)37(23(51)19-61-38)65-39-34(57)32(55)30(53)24(17-48)62-39/h7,22-40,48-59H,8-20H2,1-6H3
HMDB36969	Ammonium bicarbonate	[NH4+].OC([O-])=O	InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
HMDB43791	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,38,41,47,50,59H,4-7,9-10,12-15,18,21-24,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,41-38-,50-47-
HMDB43790	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-
HMDB43793	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,40-41,46-47,49-50,59H,4-7,9-10,12-15,18,21-24,29-30,35-36,39,42-45,48,51-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-,50-47-
HMDB43792	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,40-41,47,50,59H,4-7,9-10,12-15,18,21-24,29-30,35-36,39,42-46,48-49,51-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,50-47-
HMDB39299	3,3'-Di-O-galloylprocyanidin B5	OC1=CC2=C([C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C3=C(O[C@@H]([C@@H](C3)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)C=C2O)C(O)=C1	InChI=1S/C44H34O20/c45-19-11-25(50)34-32(12-19)62-41(16-2-4-22(47)24(49)6-16)42(64-44(60)18-9-29(54)39(58)30(55)10-18)36(34)35-26(51)14-31-20(37(35)56)13-33(40(61-31)15-1-3-21(46)23(48)5-15)63-43(59)17-7-27(52)38(57)28(53)8-17/h1-12,14,33,36,40-42,45-58H,13H2/t33-,36-,40-,41-,42-/m1/s1
HMDB39298	(-)-Epigallocatechin 3,4'-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C2)C(O)=C1	InChI=1S/C29H22O15/c30-13-7-15(31)14-9-23(43-28(40)11-3-16(32)24(38)17(33)4-11)26(42-22(14)8-13)10-1-20(36)27(21(37)2-10)44-29(41)12-5-18(34)25(39)19(35)6-12/h1-8,23,26,30-39H,9H2/t23-,26-/m1/s1
HMDB43797	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-
HMDB43796	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,45,48,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,48-45-
HMDB39295	2,3-Dihydroxy-12-oleanene-23,28-dioic acid; (2b,3b)-form, 28-O-[b-D-Xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-a-L-arabinopyranosyl] ester	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C46H72O18/c1-20-33(62-36-31(53)28(50)24(48)18-59-36)30(52)32(54)37(61-20)63-34-29(51)25(49)19-60-38(34)64-40(58)46-14-12-41(2,3)16-22(46)21-8-9-26-42(4)17-23(47)35(55)45(7,39(56)57)27(42)10-11-44(26,6)43(21,5)13-15-46/h8,20,22-38,47-55H,9-19H2,1-7H3,(H,56,57)
HMDB39294	Medicoside L	CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(CO)OC3OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C(O)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C60H96O30/c1-22-32(66)37(71)41(75)48(81-22)86-44-36(70)29(21-64)85-52(46(44)88-49-42(76)38(72)33(67)26(18-61)82-49)87-45-40(74)35(69)28(20-63)84-51(45)89-47-25(65)17-56(4)30-9-8-23-24-16-55(2,3)12-14-60(24,54(80)90-50-43(77)39(73)34(68)27(19-62)83-50)15-13-57(23,5)58(30,6)11-10-31(56)59(47,7)53(78)79/h8,22,24-52,61-77H,9-21H2,1-7H3,(H,78,79)
HMDB39297	(-)-Epigallocatechin 3,3'-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)C(O)=C1	InChI=1S/C29H22O15/c30-13-7-15(31)14-9-23(44-29(41)12-4-18(34)25(38)19(35)5-12)27(42-21(14)8-13)10-1-20(36)26(39)22(6-10)43-28(40)11-2-16(32)24(37)17(33)3-11/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1
HMDB39296	2,3-Dihydroxy-12-oleanene-23,28-dioic acid; (2b,3b)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside], 28-O-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-a-L-arabinopyranosyl] ester	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C58H92O28/c1-22-42(82-46-39(71)32(64)26(62)20-77-46)38(70)41(73)47(79-22)83-43-33(65)27(63)21-78-49(43)86-52(76)58-14-12-53(2,3)16-24(58)23-8-9-30-54(4)17-25(61)45(57(7,51(74)75)31(54)10-11-56(30,6)55(23,5)13-15-58)85-50-44(37(69)35(67)29(19-60)81-50)84-48-40(72)36(68)34(66)28(18-59)80-48/h8,22,24-50,59-73H,9-21H2,1-7H3,(H,74,75)
HMDB39291	Medicoside H	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1O	InChI=1S/C47H74O19/c1-20-28(51)31(54)33(56)37(62-20)64-35-29(52)24(50)19-61-39(35)66-41(60)47-14-12-42(2,3)16-22(47)21-8-9-26-43(4)17-23(49)36(65-38-34(57)32(55)30(53)25(18-48)63-38)46(7,40(58)59)27(43)10-11-45(26,6)44(21,5)13-15-47/h8,20,22-39,48-57H,9-19H2,1-7H3,(H,58,59)
HMDB39290	Medicagenic acid beta-maltoside	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O	InChI=1S/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(45)32(41(6,35(51)52)25(38)9-10-40(24,39)5)58-34-30(50)28(48)31(23(18-44)56-34)57-33-29(49)27(47)26(46)22(17-43)55-33/h7,20-34,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)
HMDB39293	2,3-Dihydroxy-12-oleanene-23,28-dioic acid; (2b,3b)-form, 3-O-b-D-Glucopyranoside, 28-O-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-a-L-arabinopyranosyl] ester	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C52H82O23/c1-21-38(72-41-35(62)30(57)25(55)19-68-41)34(61)37(64)42(70-21)73-39-31(58)26(56)20-69-44(39)75-46(67)52-14-12-47(2,3)16-23(52)22-8-9-28-48(4)17-24(54)40(74-43-36(63)33(60)32(59)27(18-53)71-43)51(7,45(65)66)29(48)10-11-50(28,6)49(22,5)13-15-52/h8,21,23-44,53-64H,9-20H2,1-7H3,(H,65,66)
HMDB39292	2,3-Dihydroxy-12-oleanene-23,28-dioic acid; (2b,3b)-form, 3-O-b-D-Glucuronopyranoside, 28-O-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-a-L-arabinopyranosyl] ester	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C52H80O24/c1-20-36(72-41-33(61)28(56)24(54)18-69-41)32(60)35(63)42(71-20)74-38-29(57)25(55)19-70-44(38)76-46(68)52-14-12-47(2,3)16-22(52)21-8-9-26-48(4)17-23(53)39(75-43-34(62)30(58)31(59)37(73-43)40(64)65)51(7,45(66)67)27(48)10-11-50(26,6)49(21,5)13-15-52/h8,20,22-39,41-44,53-63H,9-19H2,1-7H3,(H,64,65)(H,66,67)
HMDB52471	TG(18:2(9Z,12Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h20-21,23-24,29-30,34-35,60H,4-19,22,25-28,31-33,36-59H2,1-3H3/b23-20-,24-21-,34-29-,35-30-
HMDB28862	Hydroxyprolyl-Glutamate	NC(CCC([O-])=O)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C10H16N2O6/c11-6(1-2-8(14)15)9(16)12-4-5(13)3-7(12)10(17)18/h5-7,13H,1-4,11H2,(H,14,15)(H,17,18)/p-1
HMDB28837	Glycyl-Aspartate	NC(CC(O)=O)C(=O)NCC(O)=O	InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)
HMDB28836	Glycyl-Asparagine	NC(CC(N)=O)C(=O)NCC(O)=O	InChI=1S/C6H11N3O4/c7-3(1-4(8)10)6(13)9-2-5(11)12/h3H,1-2,7H2,(H2,8,10)(H,9,13)(H,11,12)
HMDB28835	Glycyl-Arginine	NC(CCCNC(N)=N)C(=O)NCC(O)=O	InChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12)
HMDB34185	Stigmast-7-en-3-ol; (3b,5a,24R)-form, 3-O-b-D-Glucopyranoside	CCC(CCC(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C	InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h11,20-24,26-33,36-39H,7-10,12-19H2,1-6H3
HMDB28833	Glutamyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/p-1
HMDB28832	Glutamyl-Valine	CC(C)C(N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/p-1
HMDB28831	Glutamyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C14H18N2O6/c15-10(7-8-1-3-9(17)4-2-8)13(20)16-11(14(21)22)5-6-12(18)19/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/p-1
HMDB28830	Glutamyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/p-1
HMDB28839	Glycyl-Glutamine	NC(CCC(N)=O)C(=O)NCC(O)=O	InChI=1S/C7H13N3O4/c8-4(1-2-5(9)11)7(14)10-3-6(12)13/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)
HMDB28838	Glycyl-Cysteine	NC(CS)C(=O)NCC(O)=O	InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)
HMDB46955	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,41,44,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-62H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,44-41-
HMDB39439	6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid	COC1=C(CC=C(C)C)C(\C=C\C2=CC=CC=C2)=C(C(O)=O)C(O)=C1	InChI=1S/C21H22O4/c1-14(2)9-11-16-17(12-10-15-7-5-4-6-8-15)20(21(23)24)18(22)13-19(16)25-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,24)/b12-10+
HMDB39438	2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid	COC1=CC(\C=C\C2=CC=CC=C2)=C(C(O)=O)C(O)=C1CC=C(C)C	InChI=1S/C21H22O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3,(H,23,24)/b11-10+
HMDB39431	1,2,4,5,7-Pentathiocane	C1SCSSCSS1	InChI=1S/C3H6S5/c1-4-2-6-8-3-7-5-1/h1-3H2
HMDB39430	9,10-Dihydro-2,3,5,7-Phenanthrenetetrol	OC1=CC2=C(C(O)=C1)C1=C(CC2)C=C(O)C(O)=C1	InChI=1S/C14H12O4/c15-9-3-8-2-1-7-4-11(16)12(17)6-10(7)14(8)13(18)5-9/h3-6,15-18H,1-2H2
HMDB39433	1,2,4-Trithiolane	C1SCSS1	InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2
HMDB39432	1,2,4,5,7,8-Hexathionane	C1SSCSSCSS1	InChI=1S/C3H6S6/c1-4-6-2-8-9-3-7-5-1/h1-3H2
HMDB39435	Guavin C	CC(=O)OC1COC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OC1C1OC(=O)C2=C3C4C5=C(C(C1OC5=O)C1=C(O)C=C(O)C5=C1OC(C(O)C5)C1=CC(O)=C(O)C(O)=C1)C(=O)C(O)(O)C4(O)OC3=C(O)C(O)=C2	InChI=1S/C51H38O30/c1-10(52)76-24-9-75-46(68)13-5-20(57)34(62)37(65)25(13)26-14(6-21(58)35(63)38(26)66)47(69)78-41(24)44-43-29(28-17(54)8-16(53)12-4-23(60)39(77-40(12)28)11-2-18(55)33(61)19(56)3-11)30-31(49(71)79-43)32-27-15(48(70)80-44)7-22(59)36(64)42(27)81-51(32,74)50(72,73)45(30)67/h2-3,5-8,23-24,29,32,39,41,43-44,53-66,72-74H,4,9H2,1H3
HMDB39434	Spirolide A	CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)CCC22CCC(C4OC(=O)C(C)=C4)=C(C)C2\C=C(C)\C(O)CC1O3	InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(15-11-26(2)24-43-37)16-13-32(36-21-28(4)38(45)47-36)30(6)33(40)20-27(3)34(44)22-35-29(5)23-41(49-35)17-18-42(50-41)39(7,46)14-12-31(19-25)48-42/h20-21,26,29,31,33-36,44,46H,1,8-19,22-24H2,2-7H3/b27-20+
HMDB39437	2,3-Dihydroxy-2,4-cyclopentadien-1-one	OC1C(=O)C=CC1=O.OC1=C(O)C(=O)C=C1	InChI=1S/2C5H4O3/c2*6-3-1-2-4(7)5(3)8/h1-2H,(H2,6,7,8);1-2,5,8H
HMDB39436	Ginsenoside Rh6	CC(C)(OO)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C	InChI=1S/C36H62O11/c1-31(2,47-44)12-9-13-36(8,46-30-28(43)27(42)26(41)22(18-37)45-30)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(40)32(3,4)29(33)21(39)17-35(23,34)7/h9,12,19-30,37-44H,10-11,13-18H2,1-8H3/b12-9+
HMDB31608	Peracetic acid	CC(=O)OO	InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
HMDB31609	Phenoxyacetic acid	OC(=O)COC1=CC=CC=C1	InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
HMDB34238	1-Propanethiol	CCCS	InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
HMDB34239	2-Methylpropyl propanoate	CCC(=O)OCC(C)C	InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
HMDB31602	4-Pentenoic acid	OC(=O)CCC=C	InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
HMDB31603	4-Pentenoic acid, 9CI; Et ester	CCOC(=O)CCC=C	InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3
HMDB31600	()-2-Pentanol acetate	CCCC(C)OC(C)=O	InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3
HMDB31601	2-Pentenal	CC\C=C/C=O	InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3-
HMDB31606	4-Penten-2-one	CC(=O)CC=C	InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3
HMDB31607	1-Penten-3-one	CCC(=O)C=C	InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
HMDB31604	(E)-2-Penten-1-ol	CC\C=C/CO	InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-
HMDB31605	1-Penten-3-ol	CCC(O)C=C	InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
HMDB44220	TG(16:0/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB44221	TG(16:0/24:1(15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h25-26,56H,4-24,27-55H2,1-3H3/b26-25-
HMDB44222	TG(16:0/24:1(15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB44223	TG(16:0/24:1(15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-
HMDB38528	Gancaonin N	COC1=CC=C(C(O)=C1)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O	InChI=1S/C21H20O6/c1-11(2)4-6-14-17(23)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(26-3)8-16(13)22/h4-5,7-10,22-24H,6H2,1-3H3
HMDB38529	5,9:6,9-Diepoxy-4-megastigmene	CC12CCC3(O1)C(CO2)=CCCC3(C)C	InChI=1S/C13H20O2/c1-11(2)6-4-5-10-9-14-12(3)7-8-13(10,11)15-12/h5H,4,6-9H2,1-3H3
HMDB44226	TG(16:0/24:1(15Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,24-25,54H,4-14,16-17,19-23,26-53H2,1-3H3/b18-15-,25-24-
HMDB44227	TG(16:0/24:1(15Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h20,23,25-26,56H,4-19,21-22,24,27-55H2,1-3H3/b23-20-,26-25-
HMDB38524	5-Tricosyl-1,3-benzenediol	CCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3
HMDB38525	3-(10-Heptadecenyl)phenol	CCCCCC\C=C/CCCCCCCCCC1=CC=CC(O)=C1	InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-
HMDB38526	(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol	CC#CC#C\C=C/C=C\C=C\CCO	InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-11,14H,12-13H2,1H3/b7-6-,9-8-,11-10+
HMDB38527	5-(12-Heptadecenyl)-1,3-benzenediol	CCCCC\C=C\CCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,18-20,24-25H,2-5,8-17H2,1H3/b7-6+
HMDB38520	2-Hydroxy-6-tridecylbenzoic acid	CCCCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
HMDB38521	2-Hydroxy-6-(8-tridecenyl)benzoic acid	CCCCC\C=C/CCCCCCC1=CC=CC(O)=C1C(O)=O	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h6-7,13,15-16,21H,2-5,8-12,14H2,1H3,(H,22,23)/b7-6-
HMDB38522	2-(10-Heptadecenyl)-6-hydroxybenzoic acid	CCCCCC\C=C/CCCCCCCCCC1=C(C(O)=O)C(O)=CC=C1	InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
HMDB38523	2-Heptadecyl-6-hydroxybenzoic acid, 9CI; 10',11'-Didehydro, Me ester	CCCCCC\C=C/CCCCCCCCCC1=C(C(=O)OC)C(O)=CC=C1	InChI=1S/C25H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h8-9,18,20-21,26H,3-7,10-17,19H2,1-2H3/b9-8-
HMDB28983	Methionyl-Threonine	CSCCC(NC(=O)C(N)C(C)O)C(O)=O	InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
HMDB42949	TG(14:0/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,53H,4-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b19-16-,26-24-,31-29-
HMDB42948	TG(14:0/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(56)59-51-52(50-58-53(55)47-44-41-38-35-32-21-18-15-12-9-6-3)57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,16,22,24,52H,4-12,14-15,17-21,23,25-51H2,1-3H3/b16-13-,24-22-
HMDB42943	TG(14:0/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,29,31,37,40,53H,4-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b26-24-,31-29-,40-37-
HMDB42942	TG(14:0/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,53H,4-23,25,27-52H2,1-3H3/b26-24-
HMDB42941	TG(14:0/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-
HMDB42940	TG(14:0/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB42947	TG(14:0/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,51H,4-16,18-19,21-24,26,28-31,33-34,36-50H2,1-3H3/b20-17-,27-25-,35-32-
HMDB42946	TG(14:0/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(56)59-51-52(50-58-53(55)47-44-41-38-35-32-21-18-15-12-9-6-3)57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h19,22,26,28,52H,4-18,20-21,23-25,27,29-51H2,1-3H3/b22-19-,28-26-
HMDB42945	TG(14:0/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h24,26,57H,4-23,25,27-56H2,1-3H3/b26-24-
HMDB42944	TG(14:0/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,55H,4-23,25,27-54H2,1-3H3/b26-24-
HMDB28982	Methionyl-Serine	CSCCC(NC(=O)C(N)CO)C(O)=O	InChI=1S/C8H16N2O4S/c1-15-3-2-6(8(13)14)10-7(12)5(9)4-11/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)
HMDB33004	6''-Caffeoylisoorientin	OC1C(COC(=O)\C=C\C2=CC=C(O)C(O)=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+
HMDB33005	Isoorientin; 4''-Me ether, 6''-O-(3,4-dihydroxycinnamoyl)(E-)	COC1C(COC(=O)\C=C\C2=CC=C(O)C(O)=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C31H28O14/c1-42-30-23(12-43-24(38)7-3-13-2-5-15(32)17(34)8-13)45-31(29(41)28(30)40)26-20(37)11-22-25(27(26)39)19(36)10-21(44-22)14-4-6-16(33)18(35)9-14/h2-11,23,28-35,37,39-41H,12H2,1H3/b7-3+
HMDB28981	Methionyl-Proline	CSCCC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C10H18N2O3S/c1-16-6-4-8(10(14)15)12-9(13)7-3-2-5-11-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
HMDB29878	D-Tartaric acid	O[C@@H]([C@H](O)C(O)=O)C(O)=O	InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
HMDB29874	Squamolone	NC(=O)N1CCCC1=O	InChI=1S/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9)
HMDB29875	Tigloidine	C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C	InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+
HMDB29876	Paucine	NCCCCNC(=O)\C=C/C1=CC(O)=C(O)C=C1	InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4-
HMDB29877	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(3,4-Di-O-acetyl-a-L-rhamnopyranoside)	CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C25H24O14/c1-8-21(36-9(2)26)24(37-10(3)27)20(34)25(35-8)39-23-19(33)17-13(29)6-12(28)7-16(17)38-22(23)11-4-14(30)18(32)15(31)5-11/h4-8,20-21,24-25,28-32,34H,1-3H3
HMDB29870	3',7-Dihydroxy-4'-methoxyisoflavanone	COC1=C(O)C=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O	InChI=1S/C16H14O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3
HMDB37762	Methyl 2-thiofuroate	CSC(=O)C1=CC=CO1	InChI=1S/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3
HMDB29872	gamma-Asarone	COC1=CC(OC)=C(OC)C=C1CC=C	InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3
HMDB29873	(S)-Spinacine	OC(=O)C1CC2=C(CN1)N=CN2	InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)
HMDB41432	4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin	COC1=C(O)C=CC(\C=C\C(=O)NCCC2=CNC3=C2C(=C(O)C=C3)C2=C(O)C=CC3=C2C(CCNC(=O)\C=C\C2=CC=C(O)C=C2)=CN3)=C1	InChI=1S/C39H36N4O7/c1-50-33-20-24(4-11-30(33)45)6-15-35(49)41-19-17-26-22-43-29-10-13-32(47)39(37(26)29)38-31(46)12-9-28-36(38)25(21-42-28)16-18-40-34(48)14-5-23-2-7-27(44)8-3-23/h2-15,20-22,42-47H,16-19H2,1H3,(H,40,48)(H,41,49)/b14-5+,15-6+
HMDB28980	Methionyl-Phenylalanine	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O	InChI=1S/C14H20N2O3S/c1-20-8-7-12(14(18)19)16-13(17)11(15)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)
HMDB41433	4,4''-bis(N-feruloyl)serotonin	COC1=C(O)C=CC(\C=C\C(=O)NCCC2=CNC3=C2C(=C(O)C=C3)C2=C(O)C=CC3=C2C(CCNC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CN3)=C1	InChI=1S/C40H38N4O8/c1-51-33-19-23(3-9-29(33)45)5-13-35(49)41-17-15-25-21-43-27-7-11-31(47)39(37(25)27)40-32(48)12-8-28-38(40)26(22-44-28)16-18-42-36(50)14-6-24-4-10-30(46)34(20-24)52-2/h3-14,19-22,43-48H,15-18H2,1-2H3,(H,41,49)(H,42,50)/b13-5+,14-6+
HMDB41430	Gymnodimine	CC1CC2CCC(O)C(C)=CC3C(C)=C(CCC33CCCN=C3CC\C=C(C)\C1O2)C1OC(=O)C(C)=C1	InChI=1S/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+
HMDB41431	(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)	OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C(=C(O)C=C3)C2=C(O)C=CC3=C2C(CCNC(=O)\C=C\C2=CC=C(O)C=C2)=CN3)C=C1	InChI=1S/C38H34N4O6/c43-27-7-1-23(2-8-27)5-15-33(47)39-19-17-25-21-41-29-11-13-31(45)37(35(25)29)38-32(46)14-12-30-36(38)26(22-42-30)18-20-40-34(48)16-6-24-3-9-28(44)10-4-24/h1-16,21-22,41-46H,17-20H2,(H,39,47)(H,40,48)/b15-5+,16-6+
HMDB41436	Citbismine E	COC1=CC2=C(C(O)=C1C1C(OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(OC)=C(O)C=C3)C(C)(C)O)C(=O)C1=C(N2C)C(OC)=C(O)C=C1	InChI=1S/C36H34N2O11/c1-36(2,45)35-26(24-21(49-35)13-19(41)23-29(24)38(4)28-15(31(23)43)9-11-18(40)34(28)48-7)25-20(46-5)12-16-22(32(25)44)30(42)14-8-10-17(39)33(47-6)27(14)37(16)3/h8-13,26,35,39-41,44-45H,1-7H3
HMDB41437	Citbismine D	COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC3=C1C(C(O3)C(C)(C)O)C1=C(O)C3=C(N(C)C4=C(C=CC(O)=C4OC)C3=O)C3=C1OC(C)(C)C=C3)C2=O	InChI=1S/C40H38N2O11/c1-39(2)14-13-18-28-27(33(47)17-10-12-19(43)36(50-7)29(17)41(28)5)34(48)26(35(18)53-39)25-24-22(52-38(25)40(3,4)49)15-21(45)23-31(24)42(6)30-16(32(23)46)9-11-20(44)37(30)51-8/h9-15,25,38,43-45,48-49H,1-8H3
HMDB28987	Methionyl-Gamma-glutamate	CSCCC(NC(=O)C(N)CCC(O)=N)C(O)=O	InChI=1S/C10H19N3O4S/c1-18-5-4-7(10(16)17)13-9(15)6(11)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB31895	Castacrenin G	OC1=C2C3C(=O)OC(C4C5=C6C(=O)OC7=C8C(=CC(O)=C7O)C(=O)OC(C(O)=C5OC34C1=O)=C68)C1OC(=O)C3=C2C(O)=C(O)C(O)=C3C2=C(O)C(O)=C(O)C=C2C(=O)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC12	InChI=1S/C54H28O32/c55-10-1-6-15(32(63)28(10)59)16-7(2-11(56)29(60)33(16)64)49(74)81-40-14(5-79-47(6)72)80-48(73)8-3-12(57)30(61)34(65)17(8)19-22-20(36(67)38(69)35(19)66)24-27-53(78)84-44(45(40)85-51(22)76)26-25-23-21-18-9(4-13(58)31(62)41(18)83-52(23)77)50(75)82-42(21)39(70)43(25)86-54(26,27)46(71)37(24)68/h1-4,14,26-27,40,44-45,55-70H,5H2
HMDB33009	1,8-Epoxy-p-menthane-2,6-diol; (1RS,2RS,4SR,6SR)-form, 6-O-b-D-Glucopyranoside	CC1(C)OC2(C)C(O)CC1CC2OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O8/c1-15(2)7-4-9(18)16(3,24-15)10(5-7)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3
HMDB28986	Methionyl-Valine	CSCCC(NC(=O)C(N)C(C)C)C(O)=O	InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
HMDB08208	PC(18:3(9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,44H,6-8,10,12-14,16,18-20,22-23,25-43H2,1-5H3/b11-9-,17-15-,24-21-/t44-/m1/s1
HMDB08209	PC(18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24,44H,6-8,10,12-14,16,18-19,23,25-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-/t44-/m1/s1
HMDB08202	PC(18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,42H,6-7,9,11-13,15,18,21,23-41H2,1-5H3/b10-8-,16-14-,19-17-,22-20-/t42-/m1/s1
HMDB08203	PC(18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,42H,6-7,9,11-13,15,17-19,24-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-/t42-/m1/s1
HMDB08200	PC(18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,40H,6-7,9,11-13,15,18,22-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-/t40-/m1/s1
HMDB08201	PC(18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,42H,6-7,9,11-13,15,17-19,21,23-41H2,1-5H3/b10-8-,16-14-,22-20-/t42-/m1/s1
HMDB08206	PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,42H,6-7,12-13,18-19,24-41H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
HMDB08207	PC(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,27,29,42H,6-7,12-13,18-19,24-26,28,30-41H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
HMDB08204	PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
HMDB08205	PC(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,27,29,42H,6-7,9,11-13,18-19,24-26,28,30-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
HMDB28985	Methionyl-Tyrosine	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C14H20N2O4S/c1-21-7-6-12(14(19)20)16-13(18)11(15)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)
HMDB28984	Methionyl-Tryptophan	CSCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C16H21N3O3S/c1-23-7-6-14(16(21)22)19-15(20)12(17)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)
HMDB38155	beta-Bourbonene	CC(C)C1CCC2(C)C3CCC(=C)C3C12	InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3
HMDB35302	Ganolucidic acid A	CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3	InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)
HMDB38157	beta-Guaiene	CC1CCC2=C1CC(CCC2C)=C(C)C	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3
HMDB38156	Umbellifolide	CC(=O)CCCC1(C)CC2OC(=O)C(=C)C2CC1=O	InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3
HMDB38151	Mintsulfide	CC(C)C1CCC2(C)C3CCC(=C)C(S3)C12	InChI=1S/C15H24S/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3
HMDB38150	p-Mentha-2,4-diene	CC(C)C1=CCC(C)C=C1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6-9H,5H2,1-3H3
HMDB35305	Kanokoside C	CC(C)CC(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C3OC3C(O)(CO)C12	InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3
HMDB38152	Lucidone C	CC(=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C24H36O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16-18,26,28-29H,7-11H2,1-6H3
HMDB34959	Edulan I	CC1CC=C2C(C)(C)CC=CC2(C)O1	InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,7,9-10H,6,8H2,1-4H3
HMDB34958	(13R,14R)-7-Labdene-13,14,15-triol	CC1=CCC2C(C)(C)CCCC2(C)C1CCC(C)(O)C(O)CO	InChI=1S/C20H36O3/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,23)17(22)13-21/h7,15-17,21-23H,6,8-13H2,1-5H3
HMDB34951	Valerianol	CC1CCC=C2CCC(CC12C)C(C)(C)O	InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3
HMDB34950	Rebaudioside A	CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-33(58)30(55)26(51)20(14-47)62-38)23(43)6-10-44(17,16-43)67-39-35(65-37-32(57)29(54)25(50)19(13-46)61-37)34(27(52)21(15-48)63-39)64-36-31(56)28(53)24(49)18(12-45)60-36/h18-39,45-58H,1,4-16H2,2-3H3
HMDB34953	Apo-12'-violaxanthal	C\C(C=O)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-
HMDB34952	Persicaxanthin	C\C(CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-
HMDB34955	Zizybeoside II	OCC1OC(OC2C(O)C(CO)OC(OCC3=CC=CC=C3)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C25H38O16/c26-6-11-14(29)17(32)19(34)23(37-11)40-21-16(31)13(8-28)39-25(36-9-10-4-2-1-3-5-10)22(21)41-24-20(35)18(33)15(30)12(7-27)38-24/h1-5,11-35H,6-9H2
HMDB34954	Zizybeoside I	OCC1OC(OC2C(O)C(O)C(CO)OC2OCC2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2
HMDB34957	(13R,14R)-8-Labdene-13,14,15-triol	CC1=C(CCC(C)(O)C(O)CO)C2(C)CCCC(C)(C)C2CC1	InChI=1S/C20H36O3/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,23)17(22)13-21/h16-17,21-23H,6-13H2,1-5H3
HMDB34956	Oxysolavetivone	CC1CC(=O)C=C(CO)C11CCC(C1)C(C)=C	InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3
HMDB02024	Imidazoleacetic acid	OC(=O)CC1=CN=CN1	InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
HMDB02025	2,3-Dimethyl-3-hydroxyglutaric acid	CC(C(O)=O)C(C)(O)CC(O)=O	InChI=1S/C7H12O5/c1-4(6(10)11)7(2,12)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)
HMDB58359	CL(18:1(9Z)/18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-35,37,39-42,48,52,60,64,79-81,86H,5-20,22-24,26-32,36,38,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58358	CL(18:1(9Z)/18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37,39-40,42,46,54,58,77-79,84H,5-20,22-24,26-32,36,38,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,40-35-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB07720	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,33,35,43,46H,3-10,15-16,21,23,25,30-32,34,36-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t43-/m0/s1
HMDB02028	DOPA sulfate	N[C@@H](CC1=CC(OS(O)(=O)=O)=C(O)C=C1)C(O)=O	InChI=1S/C9H11NO7S/c10-6(9(12)13)3-5-1-2-7(11)8(4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H,14,15,16)/t6-/m0/s1
HMDB15628	Udenafil	CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C	InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)
HMDB15629	Sitaxentan	CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl	InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3
HMDB15623	Rimonabant	CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1	InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
HMDB15620	Mianserin	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21	InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
HMDB15621	Sulfadimethoxine	COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1	InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
HMDB15627	Droxidopa	N[C@H]([C@@H](O)C1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m1/s1
HMDB15624	Icatibant	[H][C@]12CC(N(C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)C3C[C@@H](O)CN3C(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1
HMDB15625	Prasugrel	CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1	InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3
HMDB07721	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,32-35,43,46H,3-10,15-16,21,23,25,30-31,36-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1
HMDB53602	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h7,10,14-19,23-28,34,37,43,46,58H,4-6,8-9,11-13,20-22,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,37-34-,46-43-
HMDB50489	TG(20:1(11Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,57H,4-20,22-23,26-27,29-56H2,1-3H3/b24-21-,28-25-
HMDB53600	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,37,39-40,42,48,51,61H,4-6,9,12-14,21-23,30-31,33,35-36,38,41,43-47,49-50,52-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,51-48-
HMDB53601	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,36,58H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34-35,37-57H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,36-33-
HMDB53606	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,37,39-40,42,46,49,61H,4-7,9-10,12-14,21-23,30-31,33,35-36,38,41,43-45,47-48,50-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-
HMDB53607	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,37,39-40,42,46,48-49,51,61H,4-7,9-10,12-14,21-23,30-31,33,35-36,38,41,43-45,47,50,52-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-,51-48-
HMDB53604	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,34-35,37-38,43-44,46-47,59H,4-7,9-10,12-14,21-23,30-33,36,39-42,45,48-58H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB50488	TG(20:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-
HMDB53608	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,36,42,45,57H,4-6,8,11,13,15,20,22,24,29-30,32,34-35,37-41,43-44,46-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,45-42-
HMDB53609	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,36-37,40,42,45,57H,4-6,8,11,13,15,20,22,24,29-30,32,34-35,38-39,41,43-44,46-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-,45-42-
HMDB56238	DG(20:3n9/0:0/18:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,39,42H,3-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-
HMDB56239	DG(20:3n9/0:0/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C42H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16-19,23,25,29,31,40,43H,3-9,11,13-15,20-22,24,26-28,30,32-39H2,1-2H3/b12-10-,18-16-,19-17-,25-23-,31-29-
HMDB58357	CL(18:1(9Z)/18:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34-35,37-39,41,76-78,83H,5-24,26-28,30-33,36,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,38-34-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB58356	CL(18:1(9Z)/18:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-35,37-39,75-77,82H,5-32,36,40-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-,39-35-/t75?,76-,77-/m1/s1
HMDB50481	TG(20:1(11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,38,41,60H,4-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,41-38-
HMDB50480	TG(20:1(11Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,60H,4-15,17-18,20,22-23,27,30-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-
HMDB50486	TG(20:1(11Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,41,44,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,44-41-
HMDB47225	TG(24:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h21,24,26,34,60H,4-20,22-23,25,27-33,35-59H2,1-3H3/b24-21-,34-26-
HMDB47224	TG(24:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20-21,23-24,60H,4-19,22,25-59H2,1-3H3/b23-20-,24-21-
HMDB47227	TG(24:0/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,37,39,45,48,62H,4-20,22-23,25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b24-21-,29-26-,39-37-,48-45-
HMDB07070	DG(15:0/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C34H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,32,35H,3-12,14,16-31H2,1-2H3/b15-13-/t32-/m0/s1
HMDB47226	TG(24:0/18:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,62H,4-20,22-23,25,27-28,30-61H2,1-3H3/b24-21-,29-26-
HMDB00759	Glycyl-L-leucine	CC(C)C[C@H](NC(=O)CN)C(O)=O	InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
HMDB07071	DG(15:0/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1
HMDB00754	3-Hydroxyisovaleric acid	CC(C)(O)CC(O)=O	InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
HMDB00755	Hydroxyphenyllactic acid	OC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
HMDB00756	L-Hexanoylcarnitine	CCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
HMDB00757	Glycogen	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1
HMDB00750	3-Hydroxymandelic acid	OC(C(O)=O)C1=CC(O)=CC=C1	InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
HMDB00751	L-Threo-2-pentulose	OC[C@H](O)[C@@H](O)C(=O)CO	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m0/s1
HMDB00752	Methylglutaric acid	CC(CC(O)=O)CC(O)=O	InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
HMDB00753	3-Hexanone	CCCC(=O)CC	InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
HMDB11635	p-Cresol sulfate	CC1=CC=C(OS(O)(=O)=O)C=C1	InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
HMDB11634	Norspermidine	NCCCNCCCN	InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
HMDB11637	Taurohyocholate	[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)[C@@H]2O)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17?,18?,19?,20+,22?,23-,24+,25-,26-/m1/s1
HMDB11636	Salicyl CoA	CC1=C(C=CC=C1)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C29H42N7O17P3S/c1-16-6-4-5-7-17(16)28(41)57-11-10-31-19(37)8-9-32-26(40)23(39)29(2,3)13-50-56(47,48)53-55(45,46)49-12-18-22(52-54(42,43)44)21(38)27(51-18)36-15-35-20-24(30)33-14-34-25(20)36/h4-7,14-15,18,21-23,27,38-39H,8-13H2,1-3H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,21-,22-,23?,27-/m1/s1
HMDB06345	L-Citramalyl-CoA	[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)C[C@](C)(O)C(O)=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17+,18?,19+,23-,26+/m1/s1
HMDB06344	Alpha-N-Phenylacetyl-L-glutamine	NC(=O)CC[C@H](NC(=O)CC1=CC=CC=C1)C(O)=O	InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1
HMDB06347	Hexacosanoyl carnitine	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C33H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h31H,5-30H2,1-4H3
HMDB11632	L-Iditol	OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1
HMDB06348	Pseudoecgonine	CN1C2CCC1[C@@H]([C@@H](O)C2)C(O)=O	InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8-/m0/s1
HMDB47222	TG(24:0/18:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,20,23,56H,4-14,16-17,19,21-22,24-55H2,1-3H3/b18-15-,23-20-
HMDB11639	Topaquinone	N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(O)=O	InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11H,1,10H2,(H,14,15)/t5-/m0/s1
HMDB11638	Tetradecanol	CCCCCCCCCCCCCCO	InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
HMDB07075	DG(15:0/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,34,37H,3-10,12,14-16,19-20,22,24-33H2,1-2H3/b13-11-,18-17-,23-21-/t34-/m0/s1
HMDB55767	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8,11,13-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB55766	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33,36,38,41-42,45,47,50,64H,4-6,8,11,13-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB55765	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,36-37,39-40,45-46,48-49,62H,4-7,10,13-15,22-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB55764	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB55763	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,9,12-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB07076	DG(15:0/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,34,37H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-/t34-/m0/s1
HMDB55761	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43-48,60H,4-6,9,12-15,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB55760	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42,45,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB07077	DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,34,37H,3-4,6,8-10,12,14-16,19-20,22,24-33H2,1-2H3/b7-5-,13-11-,18-17-,23-21-/t34-/m0/s1
HMDB55769	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,32,35-37,39-41,44-46,48-49,62H,4-7,10,13-15,22-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB55768	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,44,47,61H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB54496	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,35-36,38,61H,4-7,9-10,12-15,18,22-23,27,31-34,37,39-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,38-36-
HMDB54497	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,35-36,38,44,47,61H,4-7,9-10,12-15,18,22-23,27,31-34,37,39-43,45-46,48-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,38-36-,47-44-
HMDB54494	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,33-34,59H,4-8,10-11,13-15,17,22,24,26,30-32,35-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-,34-29-
HMDB54495	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,33-34,39,42,59H,4-8,10-11,13-15,17,22,24,26,30-32,35-38,40-41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-,34-29-,42-39-
HMDB54492	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33,35,37,40,43,63H,4-15,18,22-23,27,31-32,34,36,38-39,41-42,44-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,37-30-,43-40-
HMDB54493	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33,35,37,40,43,49,52,63H,4-15,18,22-23,27,31-32,34,36,38-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,37-30-,43-40-,52-49-
HMDB54490	TG(22:2(13Z,16Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,65H,4-16,18-19,21-24,27,30-64H2,1-3H3/b20-17-,28-25-,29-26-
HMDB04270	D-Glucosaminide	N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OC2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O	InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15?,16-,17+,18?/m1/s1
HMDB57615	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-35,37-38,73-75,80H,5-24,26-27,30-31,33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB47229	TG(24:0/18:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,66H,4-20,22-23,26-27,29-65H2,1-3H3/b24-21-,28-25-
HMDB57617	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35-36,39-40,44,52,56,75-77,82H,5-20,22-24,27,29,31,34,37-38,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,32-28-,36-33-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB57616	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,35-36,38-39,74-76,81H,5-24,27,31,33-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,32-28-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB57611	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36,71-73,78H,5-24,26,28,30,32-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,36-34-/t71?,72-,73-/m1/s1
HMDB57610	CL(16:1(9Z)/18:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB54498	TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33,35,37,40,43,63H,4-6,8-9,11-15,18,22-23,27,31-32,34,36,38-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,37-30-,43-40-
HMDB47228	TG(24:0/18:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,64H,4-20,22-23,25,27-28,30-63H2,1-3H3/b24-21-,29-26-
HMDB06696	Lex-lactose	C[C@H]1O[C@H](O[C@@H]2C(NC(C)=O)[C@H](O[C@H]3C(O)C(CO)O[C@@H](OC(C(O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)O[C@H](CO)C2O[C@@H]2OC(CO)C(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O	InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)57-27-15(33-9(2)39)29(54-14(7-38)26(27)56-31-23(49)21(47)18(44)12(5-36)52-31)58-28-19(45)13(6-37)53-32(24(28)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10+,11?,12?,13?,14-,15?,16+,17-,18?,19?,20+,21?,22?,23-,24-,25?,26?,27-,28+,29+,30-,31+,32+/m1/s1
HMDB06695	Prolylhydroxyproline	O[C@@H]1C[C@H](N(C1)C(=O)[C@@H]1CCCN1)C(O)=O	InChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)/t6-,7+,8+/m1/s1
HMDB06694	Difucosyllacto-N-hexaose	C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C52H88N2O39/c1-11-23(62)28(67)34(73)48(80-11)89-41-19(9-59)86-47(22(54-14(4)61)43(41)92-51-37(76)31(70)26(65)16(6-56)84-51)93-44-27(66)20(87-52(38(44)77)88-39-17(7-57)82-45(78)33(72)32(39)71)10-79-46-21(53-13(3)60)42(91-49-35(74)29(68)24(63)12(2)81-49)40(18(8-58)85-46)90-50-36(75)30(69)25(64)15(5-55)83-50/h11-12,15-52,55-59,62-78H,5-10H2,1-4H3,(H,53,60)(H,54,61)/t11-,12-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45?,46-,47+,48-,49-,50+,51+,52+/m1/s1
HMDB06692	Disialyllactose	[H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@@H](O)C(O)O[C@@H]1CO	InChI=1S/C34H56N2O27/c1-9(41)35-17-11(43)3-33(31(53)54,61-26(17)19(46)13(45)5-37)60-15(7-39)21(48)27-18(36-10(2)42)12(44)4-34(62-27,32(55)56)63-28-20(47)14(6-38)58-30(24(28)51)59-25-16(8-40)57-29(52)23(50)22(25)49/h11-30,37-40,43-52H,3-8H2,1-2H3,(H,35,41)(H,36,42)(H,53,54)(H,55,56)/t11-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28-,29?,30-,33+,34-/m0/s1
HMDB06691	p-Lacto-N-octaose	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@]([H])(OC3O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]4O[C@H](CO)C(O[C@]5([H])O[C@H](CO)[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]7([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C54H91N3O41/c1-13(67)55-25-34(78)42(23(11-65)90-48(25)96-45-31(75)20(8-62)87-52(38(45)82)92-41(17(71)5-59)28(72)16(70)4-58)93-53-39(83)46(32(76)21(9-63)88-53)97-49-26(56-14(2)68)35(79)43(24(12-66)91-49)94-54-40(84)47(33(77)22(10-64)89-54)98-50-27(57-15(3)69)44(30(74)19(7-61)85-50)95-51-37(81)36(80)29(73)18(6-60)86-51/h4,16-54,59-66,70-84H,5-12H2,1-3H3,(H,55,67)(H,56,68)(H,57,69)/t16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43?,44+,45-,46-,47-,48-,49-,50-,51-,52-,53?,54-/m0/s1
HMDB52263	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,37-38,43-44,46-47,64H,4-8,10-11,13-16,19,22-24,30-33,35-36,39-42,45,48-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-
HMDB52262	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,37-38,43,46,64H,4-8,10-11,13-16,19,22-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-
HMDB52261	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,57,68H,4-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-
HMDB52260	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36-37,39,41,45,47-48,50,68H,4-16,19,22-24,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-
HMDB52267	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,57,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-
HMDB52266	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-
HMDB06699	Alpha-D-Manp-(1 -&gt; 2)-a-D-Manp-(1 -&gt; 2)-a-D-Manp-(1 -&gt; 3)-b-D-Manp-(1 -&gt; 4)-D-GlcNAcp	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)[C@H](O)CO	InChI=1S/C26H45NO21/c1-7(33)27-8(2-28)13(35)21(9(34)3-29)46-25-20(42)22(16(38)12(6-32)44-25)47-26-23(18(40)15(37)11(5-31)45-26)48-24-19(41)17(39)14(36)10(4-30)43-24/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22-,23?,24+,25-,26+/m0/s1
HMDB06698	Tri-N-acetylchitotriose	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	InChI=1S/C24H41N3O16/c1-8(32)25-11(4-28)17(36)21(12(35)5-29)42-24-16(27-10(3)34)20(39)22(14(7-31)41-24)43-23-15(26-9(2)33)19(38)18(37)13(6-30)40-23/h4,11-24,29-31,35-39H,5-7H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-/m0/s1
HMDB54417	TG(22:2(13Z,16Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,34,39,42,56H,4-7,9-10,12-14,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,42-39-
HMDB45436	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,31-32,34,38,41,47,50,59H,4-6,8-9,11-15,17-18,21-22,24,26-27,30,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,34-29-,41-38-,50-47-
HMDB45437	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28,30-32,37-38,40-41,46,49,58H,4-6,8-9,11-15,18,21-24,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-
HMDB51514	TG(22:1(13Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,65H,4-14,16-17,19-23,25,28,30-64H2,1-3H3/b18-15-,27-24-,29-26-
HMDB51515	TG(22:1(13Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,66H,4-17,19-20,22-25,28,31-39,41-42,44-65H2,1-3H3/b21-18-,29-26-,30-27-,43-40-
HMDB51516	TG(22:1(13Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,49,52,66H,4-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,29-26-,30-27-,43-40-,52-49-
HMDB51517	TG(22:1(13Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,68H,4-16,18-19,21-25,28,31-67H2,1-3H3/b20-17-,29-26-,30-27-
HMDB51510	TG(22:1(13Z)/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,68H,4-25,28,31-67H2,1-3H3/b29-26-,30-27-
HMDB51511	TG(22:1(13Z)/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,70H,4-24,26,29,31-69H2,1-3H3/b28-25-,30-27-
HMDB51512	TG(22:1(13Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,39,65H,4-20,22-23,25,27-28,31-38,40-64H2,1-3H3/b24-21-,29-26-,39-30-
HMDB51513	TG(22:1(13Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,44,47,64H,4-17,19-20,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b21-18-,29-26-,38-27-,47-44-
HMDB54411	TG(22:2(13Z,16Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,58H,4-14,21-23,28-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-
HMDB51518	TG(22:1(13Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36,39,45,48,68H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-
HMDB51519	TG(22:1(13Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36,39,45,48,54,57,68H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB48611	TG(16:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h19-24,50H,4-18,25-49H2,1-3H3/b22-19-,23-20-,24-21-
HMDB48610	TG(16:1(9Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20-21,23-24,51H,4-19,22,25-50H2,1-3H3/b23-20-,24-21-
HMDB48613	TG(16:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,52H,4-19,22,26,28-51H2,1-3H3/b23-20-,24-21-,27-25-
HMDB35853	Fasciculol C	CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3	InChI=1S/C30H52O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h17-18,21-25,31-36H,8-16H2,1-7H3
HMDB35852	3beta-Methoxy-7-multiflorene	COC1CCC2(C)C3CCC4(C)C5CC(C)(C)CCC5(C)CCC4(C)C3=CCC2C1(C)C	InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)22-10-11-23-27(3,4)25(32-9)13-14-29(23,6)21(22)12-15-31(30,8)24(28)20-26/h10,21,23-25H,11-20H2,1-9H3
HMDB35851	(R)-alpha-Phellandrene	[H][C@@]1(CC=C(C)C=C1)C(C)C	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
HMDB35850	alpha-Phellandrene	CC(C)C1CC=C(C)C=C1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
HMDB35857	Ginsenoside A2	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3
HMDB35856	11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide	COC1=C(OC)C2=C(C=C1C(C)C)C1CC3C(C)(C)CCCC23C(=O)O1	InChI=1S/C22H30O4/c1-12(2)13-10-14-15-11-16-21(3,4)8-7-9-22(16,20(23)26-15)17(14)19(25-6)18(13)24-5/h10,12,15-16H,7-9,11H2,1-6H3
HMDB53610	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,34-35,37-38,44,47,59H,4-6,9,12-14,21-23,30-33,36,39-43,45-46,48-58H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB48615	TG(16:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,30,32,38,41,54H,4-19,22,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b23-20-,24-21-,27-25-,32-30-,41-38-
HMDB35859	5'-O-Methylmelledonal	COC1=CC(C)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=C1	InChI=1S/C24H30O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,10,16,18-19,26-27,29-30H,9,11H2,1-5H3
HMDB35858	Obacunone	CC12CCC3C4(C)C=CC(=O)OC(C)(C)C4CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1	InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3
HMDB56221	DG(20:1n9/0:0/18:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,25,27,39,42H,3-11,13,15-16,20,22-24,26,28-38H2,1-2H3/b14-12-,19-17-,21-18-,27-25-
HMDB48614	TG(16:1(9Z)/18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,54H,4-19,22,26,28-53H2,1-3H3/b23-20-,24-21-,27-25-
HMDB59079	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,45-52,57-64,83-85,90H,5-20,29-32,41-44,53-56,65-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-/t84-,85-/m1/s1
HMDB53612	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,37,39-40,42,46,49,61H,4-6,9,12-14,21-23,30-31,33,35-36,38,41,43-45,47-48,50-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-
HMDB45438	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,31-32,38,41,47,50,59H,4-6,8-9,11-13,15,18,20-22,24,27,29-30,33-37,39-40,42-46,48-49,51-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,41-38-,50-47-
HMDB56227	DG(20:1n9/0:0/22:5n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,34,36,43,46H,3-10,12,14-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,30-28-,36-34-
HMDB45439	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,38-39,42,48,51,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-
HMDB56226	DG(20:1n9/0:0/22:4n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,43,46H,3-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,30-28-
HMDB56225	DG(20:1n9/0:0/22:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43,46H,3-10,12,14-16,21-42H2,1-2H3/b13-11-,19-17-,20-18-
HMDB53616	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,36,39-40,43,61H,4-6,8-9,11-14,21-23,30-31,33,35,37-38,41-42,44-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-
HMDB07566	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,27,29,39,42H,3-4,6,8-10,12,14-16,20,24-26,28,30-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB07567	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,27,29,39,42H,3-4,6,8-10,15-16,20,24-26,28,30-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB07564	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,39,42H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3/b7-5-,13-11-,19-17-,23-22-,29-27-/t39-/m0/s1
HMDB07565	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,27,29,39,42H,3-4,6,8-10,12,15,18,20-21,24-26,28,30-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,23-22-,29-27-/t39-/m0/s1
HMDB07562	DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,25,27,37,40H,3-4,6,8-10,12,14-16,19,21,23-24,26,28-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-,27-25-/t37-/m0/s1
HMDB07563	DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,25,27,37,40H,3-4,6,8-10,12,15,19,21,23-24,26,28-36H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,22-20-,27-25-/t37-/m0/s1
HMDB07560	DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,23,25,35,38H,3-4,6,8-9,14-15,18,21-22,24,26-34H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,25-23-/t35-/m0/s1
HMDB07561	DG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,36,39H,3-4,6,8-10,12,14-16,19,22-23,25,27-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-/t36-/m0/s1
HMDB04185	5-Hydroxyindoleacetylglycine	OC(=O)CNC(=O)CC1=CNC2=C1C=C(O)C=C2	InChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)
HMDB54145	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,36,38-39,41,45,47-48,50,62H,4-15,18,21-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB54146	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-15,18,21-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB04186	3-Methyldioxyindole	CC1(O)C(=O)NC2=CC=CC=C12	InChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)
HMDB04181	Methylimidazole acetaldehyde	CN1C=NC(CC=O)=C1	InChI=1S/C6H8N2O/c1-8-4-6(2-3-9)7-5-8/h3-5H,2H2,1H3
HMDB54141	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-
HMDB07568	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,39,42H,3-4,6,8-10,15-16,20,24-25,30-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1
HMDB07569	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,27,29,39,42H,3-4,9-10,15-16,20,24-26,28,30-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB58764	CL(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-38,40-42,77-79,84H,5-24,28,32-35,39,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB56925	CL(18:0/16:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27,31,73-75,80H,5-26,28-30,32-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-/t73?,74-,75-/m1/s1
HMDB58766	CL(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,42-44,48,56,60,79-81,86H,5-20,22-24,29,34-36,40-41,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB59077	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-47,49-51,53,55,58,61-63,65,67,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,48,52,54,56-57,59-60,64,66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,53-49-,55-51-,62-58-,65-61-,67-63-/t84?,85-,86-/m1/s1
HMDB58022	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB56927	CL(18:0/16:0/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1
HMDB41148	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan; (7'S,8R,8'R)-form, 3,3',5,5'-Tetra-Me ether, 9-O-b-D-glucopyranoside	COC1=CC2=C(C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)C2)C2=CC(OC)=C(O)C(OC)=C2)C(OC)=C1O	InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(9-29)14(5-12-6-18(38-3)24(33)27(39-4)21(12)20)11-40-28-26(35)25(34)23(32)19(10-30)41-28/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3
HMDB41149	Glucoliquiritin apioside	OCC1OC(OC2=CC3=C(C=C2)C(=O)CC(O3)C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O)C(O)C1O	InChI=1S/C32H40O18/c33-9-20-22(37)24(39)26(41)29(48-20)46-15-5-6-16-17(36)8-18(47-19(16)7-15)13-1-3-14(4-2-13)45-30-27(25(40)23(38)21(10-34)49-30)50-31-28(42)32(43,11-35)12-44-31/h1-7,18,20-31,33-35,37-43H,8-12H2
HMDB41146	Feruloyl-beta-sitosterol	[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)O[C@]2([H])C([H])([H])C3=C([H])C([H])([H])[C@@]4([H])[C@]5([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4([H])[C@@]3(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1OC([H])([H])[H]	InChI=1S/C39H58O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,13,17-18,23,25-26,28,30-34,40H,8-9,12,14-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,30+,31+,32-,33+,34+,38+,39-/m1/s1
HMDB41147	Isochinomin	COC1=C(C2OC(CO)C(O)C(O)C2O)C2=C(C(O)=C1)C(=O)C1=C(O2)C=C(O)C(O)=C1	InChI=1S/C20H20O11/c1-29-11-4-9(24)13-15(25)6-2-7(22)8(23)3-10(6)30-19(13)14(11)20-18(28)17(27)16(26)12(5-21)31-20/h2-4,12,16-18,20-24,26-28H,5H2,1H3
HMDB41144	8-Deoxy-11,13-dihydroxygrosheimin	CC1C2C(CC1=O)C(=C)CCC1C2OC(=O)C1(O)CO	InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3
HMDB41145	3alpha-12-Ursene-3,24-diol	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1C	InChI=1S/C30H50O2/c1-19-10-13-26(3)16-17-29(6)21(25(26)20(19)2)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3
HMDB41142	N-[2-(4-Prenyloxyphenyl)ethyl]tiglamide	C\C=C(/C)C(=O)NCCC1=CC=C(OCC=C(C)C)C=C1	InChI=1S/C18H25NO2/c1-5-15(4)18(20)19-12-10-16-6-8-17(9-7-16)21-13-11-14(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,19,20)/b15-5+
HMDB41143	8-Methyldihydrochelerythrine	COC1=C(OC)C2=C(C=C1)C1=C(N(C)C2C)C2=C(C=C1)C=C1OCOC1=C2	InChI=1S/C22H21NO4/c1-12-20-14(7-8-17(24-3)22(20)25-4)15-6-5-13-9-18-19(27-11-26-18)10-16(13)21(15)23(12)2/h5-10,12H,11H2,1-4H3
HMDB41140	3-Methyl-2-butenyl caffeate	CC(C)=CCOC(=O)\C=C\C1=CC=C(O)C(O)=C1	InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+
HMDB41141	Marshdine	COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OCO2)C=C1	InChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3
HMDB49793	TG(18:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,41-38-,50-47-
HMDB49792	TG(18:1(9Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,38,41,60H,4-15,17-18,20-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,41-38-
HMDB49791	TG(18:1(9Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,34,60H,4-15,17-18,20-24,26,29-33,35-59H2,1-3H3/b19-16-,28-25-,34-27-
HMDB50644	TG(20:1(11Z)/20:3n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,41,62H,4-17,19-20,22-24,31-37,39-40,42-61H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-
HMDB49797	TG(18:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32-33,36,42,45,58H,4-6,8-9,11-15,17-18,20-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,32-27-,36-33-,45-42-
HMDB49796	TG(18:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32-33,36,58H,4-6,8-9,11-15,17-18,20-24,26,29-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,28-25-,32-27-,36-33-
HMDB49795	TG(18:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-25,28-29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,30-26-,31-27-,39-36-
HMDB49794	TG(18:1(9Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,30-31,56H,4-7,9-10,12-16,18-19,21-25,28-29,32-55H2,1-3H3/b11-8-,20-17-,30-26-,31-27-
HMDB49799	TG(18:1(9Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,41-38-,50-47-
HMDB49798	TG(18:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,41-38-
HMDB50649	TG(20:1(11Z)/20:3n6/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,60H,4-15,17,20,22-24,31-33,35,38,40-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB50648	TG(20:1(11Z)/20:3n6/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,35,38,59H,4-14,16,19,21-23,30-34,36-37,39-58H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,38-35-
HMDB58021	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,37-38,40-41,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB03334	Symmetric dimethylarginine	CN\C(NCCC[C@H](N)C(O)=O)=N/C	InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
HMDB50834	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB50835	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,39,45,48,54,57,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-35-,48-45-,57-54-
HMDB50836	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-35,40,43,49,52,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,36-39,41-42,44-48,50-51,53-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,43-40-,52-49-
HMDB56929	CL(18:0/16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB50837	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,39-40,42-43,48,51,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-,51-48-
HMDB50830	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-6,9,12-15,18,21-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-
HMDB50831	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-
HMDB50832	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35,41,44,50,53,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,44-41-,53-50-
HMDB59074	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64,67,71,86-88,93H,5-8,10-12,14-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,65-66,68-70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-,71-67-/t86?,87-,88-/m1/s1
HMDB50833	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB00039	Butyric acid	CCCC(O)=O	InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
HMDB00038	Dihydrobiopterin	CC(O)C(O)C1=NC2=C(NC1)N=C(N)NC2=O	InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)
HMDB00031	Androsterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(O)CC[C@]12C	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13?,14-,15-,16-,18-,19-/m0/s1
HMDB00030	Biotin	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
HMDB00033	Carnosine	NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O	InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
HMDB00032	7-Dehydrocholesterol	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
HMDB00034	Adenine	NC1=NC=NC2=C1NC=N2	InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
HMDB00037	Aldosterone	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O	InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14?,15?,16-,17+,19?,20+,21-/m1/s1
HMDB00036	Taurocholic acid	[H][C@@]12C[C@H](O)CCC1(C)C1C[C@H](O)C3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15?,16-,17+,18?,19?,20?,21+,22-,24?,25?,26?/m0/s1
HMDB59073	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-47,49-51,53,55,58,61-62,65,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,48,52,54,56-57,59-60,63-64,66-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,53-49-,55-51-,62-58-,65-61-/t84?,85-,86-/m1/s1
HMDB58026	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB32009	Quercitrin; 4''-O-Glucopyranosyl, 7-O-[a-L-rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)=C(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C39H50O25/c1-10-21(44)25(48)29(52)36(57-10)56-9-19-23(46)27(50)30(53)38(62-19)59-13-6-16(43)20-17(7-13)60-34(12-3-4-14(41)15(42)5-12)35(24(20)47)64-37-32(55)28(51)33(11(2)58-37)63-39-31(54)26(49)22(45)18(8-40)61-39/h3-7,10-11,18-19,21-23,25-33,36-46,48-55H,8-9H2,1-2H3
HMDB32008	Astragalin; 2''-O-[b-D-Glucopyranosyl-(1-&gt;2)-b-D-galactopyranosyl]	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2
HMDB32005	2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone	CC(C)=CCC\C(C)=C\CC1=C(CCC(=O)C2=CC=C(O)C=C2O)C=CC(O)=C1O	InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3/b17-7+
HMDB32004	Ergostane-3,6-dione	CC(C)C(C)CCC(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C	InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-19,21-25H,7-16H2,1-6H3
HMDB32007	Epifisetinidol-(4beta-&gt;8)-catechin	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC=C34)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C30H26O11/c31-14-3-4-15-24(9-14)40-29(13-2-6-18(33)21(36)8-13)27(39)25(15)26-22(37)11-19(34)16-10-23(38)28(41-30(16)26)12-1-5-17(32)20(35)7-12/h1-9,11,23,25,27-29,31-39H,10H2
HMDB32006	Epifisetinidol-(4beta-&gt;8)-epicatechin-(6-&gt;4beta)-epifisetinidol	OC1CC2=C(O)C(C3C(O)C(OC4=CC(O)=CC=C34)C3=CC(O)=C(O)C=C3)=C(O)C(C3C(O)C(OC4=CC(O)=CC=C34)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C45H38O16/c46-20-4-6-22-32(14-20)59-43(18-2-9-26(49)29(52)12-18)40(57)34(22)36-38(55)24-16-31(54)42(17-1-8-25(48)28(51)11-17)61-45(24)37(39(36)56)35-23-7-5-21(47)15-33(23)60-44(41(35)58)19-3-10-27(50)30(53)13-19/h1-15,31,34-35,40-44,46-58H,16H2
HMDB32001	N-(2,4-Eicosadienoyl)piperidine	CCCCCCCCCCCCCCC\C=C\C=C/C(=O)N1CCCCC1	InChI=1S/C25H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h16-17,19,22H,2-15,18,20-21,23-24H2,1H3/b17-16+,22-19-
HMDB32000	Raphanatin	C\C(CO)=C/CNC1=NC=NC2=C1N(C=N2)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16?/m1/s1
HMDB32003	Eremopetasin sulfoxide	CC1C(CCC2=CC(=O)C(CC12C)C(C)=C)OC(=O)\C=C\S(C)=O	InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8+
HMDB32002	Dehydrotomatine	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1	InChI=1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5,20-21,23-47,51-63H,6-19H2,1-4H3
HMDB47423	TG(24:0/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,35,41,44,61H,4-13,15-16,19-20,22,24-25,28-34,36-40,42-43,45-60H2,1-3H3/b17-14-,21-18-,26-23-,35-27-,44-41-
HMDB47422	TG(24:0/20:2n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-24,27,29,36,62H,4-14,16-17,19,21-22,25-26,28,30-35,37-61H2,1-3H3/b18-15-,23-20-,27-24-,36-29-
HMDB47421	TG(24:0/20:2n6/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C70H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-44-47-50-53-56-59-62-68(71)74-65-67(76-70(73)64-61-58-55-52-49-46-41-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,67H,4-14,16-17,19-23,26,29-66H2,1-3H3/b18-15-,27-24-,28-25-
HMDB47420	TG(24:0/20:2n6/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,65H,4-14,16-17,19-23,25,28,30-64H2,1-3H3/b18-15-,27-24-,29-26-
HMDB47427	TG(24:0/20:2n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,65H,4-14,16,19,21-23,25,28,30-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-
HMDB47426	TG(24:0/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,38,40,46,49,63H,4-14,16,19,21-23,25,28,30-37,39,41-45,47-48,50-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,40-38-,49-46-
HMDB47425	TG(24:0/20:2n6/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,38,40,63H,4-14,16,19,21-23,25,28,30-37,39,41-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,40-38-
HMDB47424	TG(24:0/20:2n6/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,23-24,26-27,62H,4-13,16,19-22,25,28-61H2,1-3H3/b17-14-,18-15-,26-23-,27-24-
HMDB47429	TG(24:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,35,37,42,45,51,54,65H,4-14,16,19,21-23,25,28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,37-35-,45-42-,54-51-
HMDB47428	TG(24:0/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,35,37,42,45,65H,4-14,16,19,21-23,25,28,30-34,36,38-41,43-44,46-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,37-35-,45-42-
HMDB59071	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64-65,69,86-88,93H,5-9,11-13,15-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,66-68,70-85H2,1-4H3,(H,98,99)(H,100,101)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-,69-65-/t86?,87-,88-/m1/s1
HMDB03333	8-Hydroxy-deoxyguanosine	NC1=NC2=C(N=C(O)N2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1	InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1
HMDB38728	beta-Glucogallin	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2
HMDB38729	3-Methylbutyl octanoate	CCCCCCCC(=O)OCCC(C)C	InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
HMDB38724	xi-Anomuricine	COC1=CC=C(CC2NCCC3=C2C=C(OC)C(OC)=C3O)C=C1	InChI=1S/C19H23NO4/c1-22-13-6-4-12(5-7-13)10-16-15-11-17(23-2)19(24-3)18(21)14(15)8-9-20-16/h4-7,11,16,20-21H,8-10H2,1-3H3
HMDB38725	(R)-Juziphine	COC1=C(O)C2=C(CCN(C)C2CC2=CC=C(O)C=C2)C=C1	InChI=1S/C18H21NO3/c1-19-10-9-13-5-8-16(22-2)18(21)17(13)15(19)11-12-3-6-14(20)7-4-12/h3-8,15,20-21H,9-11H2,1-2H3
HMDB38722	5,6-Dihydro-11-methoxyyangonin	COC1=CC(=O)OC(C1)\C=C/C1=CC(OC)=C(OC)C=C1	InChI=1S/C16H18O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-8,10,12H,9H2,1-3H3/b6-4-
HMDB38723	(S)-Annocherine A	COC1=C(O)C=C2C(C=CN=C2C(O)C2=CC=C(O)C=C2)=C1	InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3
HMDB38720	Dodecyl gallate	CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3
HMDB38721	Soyasaponin bg	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6CC(=O)C(O)=C(C)O6)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)
HMDB30533	Alline	CN1CCC2(O)C1NC1=CC=CC=C21	InChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3
HMDB30532	Agrocin 84	CC(C)C(O)C(O)C(=O)NP(O)(=O)OCC1CC(O)C(O1)N1C=NC2=C1N=CN=C2NP(O)(=O)OC1OC(C(O)CO)C(O)C1O	InChI=1S/C22H36N6O16P2/c1-8(2)13(32)15(34)20(36)27-45(37,38)41-5-9-3-10(30)21(42-9)28-7-25-12-18(23-6-24-19(12)28)26-46(39,40)44-22-16(35)14(33)17(43-22)11(31)4-29/h6-11,13-17,21-22,29-35H,3-5H2,1-2H3,(H2,27,36,37,38)(H2,23,24,26,39,40)
HMDB30531	Janthitrem G	CC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5CC6C(=CC(C)(C)OC6(C)C)C5=C4)CCC23O)OC1C(C)(C)O	InChI=1S/C39H51NO6/c1-20(41)44-31-18-28-30(45-33(31)35(4,5)42)11-12-37(8)38(9)22(10-13-39(28,37)43)16-25-24-14-21-15-27-26(19-34(2,3)46-36(27,6)7)23(21)17-29(24)40-32(25)38/h14,17-19,22,27,30-31,33,40,42-43H,10-13,15-16H2,1-9H3
HMDB30530	Janthitrem F	CC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC23O)OC1C(C)(C)O	InChI=1S/C39H51NO7/c1-19(41)45-29-17-26-28(46-33(29)35(4,5)43)11-12-37(8)38(9)20(10-13-39(26,37)44)14-24-22-15-23-21(16-27(22)40-32(24)38)25-18-34(2,3)47-36(6,7)30(25)31(23)42/h15-18,20,28-31,33,40,42-44H,10-14H2,1-9H3
HMDB30537	Cryptoxanthin 5,6:5',8'-diepoxide	C\C(\C=C\C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1	InChI=1S/C40H56O3/c1-29(18-13-19-31(3)22-25-40-37(7,8)27-33(41)28-39(40,10)43-40)16-11-12-17-30(2)20-14-21-32(4)34-26-35-36(5,6)23-15-24-38(35,9)42-34/h11-14,16-22,25-26,33-34,41H,15,23-24,27-28H2,1-10H3/b12-11+,18-13+,20-14+,25-22+,29-16+,30-17+,31-19+,32-21+
HMDB30536	Majoroside F4	CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C42H72O14/c1-37(2,52)13-9-14-42(8,56-36-34(51)32(49)30(47)24(20-44)54-36)21-10-16-41(7)28(21)22(45)18-26-39(5)15-12-27(38(3,4)25(39)11-17-40(26,41)6)55-35-33(50)31(48)29(46)23(19-43)53-35/h9,13,21-36,43-52H,10-12,14-20H2,1-8H3/b13-9+
HMDB30535	Notoginsenoside E	CC(C)(OO)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H82O20/c1-43(2,68-61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+
HMDB30534	Notoginsenoside A	CC(C)(O)\C=C\CC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C54H92O24/c1-49(2,70)13-9-14-54(8,78-47-43(69)39(65)36(62)28(75-47)22-71-45-41(67)37(63)33(59)25(19-55)72-45)23-10-16-53(7)32(23)24(58)18-30-51(5)15-12-31(50(3,4)29(51)11-17-52(30,53)6)76-48-44(40(66)35(61)27(21-57)74-48)77-46-42(68)38(64)34(60)26(20-56)73-46/h9,13,23-48,55-70H,10-12,14-22H2,1-8H3/b13-9+
HMDB30539	Tangeritin	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC	InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
HMDB30538	Cryptoxanthin epoxide	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+
HMDB33842	3,4-Dimethoxy-1,2-benzenedicarboxylic acid	COC1=C(OC)C(C(O)=O)=C(C=C1)C(O)=O	InChI=1S/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
HMDB33843	Polyvidone	PCC(P)N1CCCC1=O	InChI=1S/C6H13NOP2/c8-5-2-1-3-7(5)6(10)4-9/h6H,1-4,9-10H2
HMDB33840	Dihydro-5-methyl-2(3H)-furanone	CC1CCC(=O)O1	InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
HMDB33841	Menadiol disuccinate	CC1=C(OC(=O)CCC(O)=O)C2=C(C=CC=C2)C(OC(=O)CCC(O)=O)=C1	InChI=1S/C19H18O8/c1-11-10-14(26-17(24)8-6-15(20)21)12-4-2-3-5-13(12)19(11)27-18(25)9-7-16(22)23/h2-5,10H,6-9H2,1H3,(H,20,21)(H,22,23)
HMDB33846	Corchoroside A	CC1OC(CC(O)C1O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3
HMDB33847	Parillin	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3
HMDB33844	beta-Cryptoxanthin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
HMDB33845	(Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone	CC1=CC=C(S1)\C=C1\OC(=O)C=C1	InChI=1S/C10H8O2S/c1-7-2-4-9(13-7)6-8-3-5-10(11)12-8/h2-6H,1H3/b8-6+
HMDB33848	Methyl decanoate	CCCCCCCCCC(=O)OC	InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
HMDB33849	Yuccoside C	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,5-18H2,1-4H3
HMDB38094	Petunidin 3-arabinoside	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=CC(O)=C2)C=C1OC1OCC(O)C(O)C1O	InChI=1S/C21H20O10/c1-28-15-6-10(4-12(23)17(15)25)20-16(5-9-2-3-11(22)7-14(9)30-20)31-21-19(27)18(26)13(24)8-29-21/h2-7,13,18-19,21,24,26-27H,8H2,1H3,(H2-,22,23,25)/p+1
HMDB38095	Petanin	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC3OC(C)C(OC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C3O)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1
HMDB38096	Petunidin 3-gentiobioside	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C(O)=CC(O)=C2	InChI=1S/C28H32O17/c1-40-15-3-9(2-13(32)19(15)33)26-16(6-11-12(31)4-10(30)5-14(11)42-26)43-28-25(39)23(37)21(35)18(45-28)8-41-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-29,34-39H,7-8H2,1H3,(H3-,30,31,32,33)/p+1
HMDB38097	Petunidin 3-glucoside	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2	InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1
HMDB38090	Peonidin 3-rhamnoside 5-glucoside	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(C)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(39-10)42-18-8-13-15(40-26(18)11-3-4-14(31)17(5-11)38-2)6-12(30)7-16(13)41-28-25(37)23(35)21(33)19(9-29)43-28/h3-8,10,19-25,27-29,32-37H,9H2,1-2H3,(H-,30,31)/p+1
HMDB38091	Peonidin 3-rhamnoside	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(C)C(O)C(O)C1O)C(O)=CC(O)=C2	InChI=1S/C22H22O10/c1-9-18(26)19(27)20(28)22(30-9)32-17-8-12-14(25)6-11(23)7-15(12)31-21(17)10-3-4-13(24)16(5-10)29-2/h3-9,18-20,22,26-28H,1-2H3,(H2-,23,24,25)/p+1
HMDB38092	Peonidin 3-(6''-p-coumaroyl-glucoside) 5-glucoside	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]1O)C(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1C)=CC(O)=C2	InChI=1S/C38H40O17/c1-17-31(44)32(45)28(15-39)54-37(17)52-25-13-21(41)12-24-22(25)14-27(36(51-24)19-6-9-23(42)26(11-19)49-2)53-38-35(48)34(47)33(46)29(55-38)16-50-30(43)10-5-18-3-7-20(40)8-4-18/h3-14,17,28-29,31-35,37-39,44-48H,15-16H2,1-2H3,(H2-,40,41,42,43)/p+1/t17?,28?,29-,31-,32-,33-,34+,35-,37-,38-/m1/s1
HMDB38093	Petunidin 3-galactoside	[H]OC1=C([H])C2=C(C([H])=C(OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]2)C2=C([H])C(OC([H])([H])[H])=C(O[H])C(O[H])=C2[H])C(O[H])=C1[H]	InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1
HMDB38098	Petunidin 3-rutinoside	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2	InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-18-21(34)23(36)25(38)28(44-18)43-17-7-12-13(30)5-11(29)6-15(12)42-26(17)10-3-14(31)20(33)16(4-10)39-2/h3-7,9,18-19,21-25,27-28,32,34-38H,8H2,1-2H3,(H3-,29,30,31,33)/p+1/t9-,18+,19-,21+,22+,23-,24+,25+,27+,28+/m0/s1
HMDB38099	Petunidin 3-rhamnoside 5-glucoside	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(C)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)43-17-7-12-14(41-26(17)10-3-13(31)20(33)16(4-10)39-2)5-11(30)6-15(12)42-28-25(38)23(36)21(34)18(8-29)44-28/h3-7,9,18-19,21-25,27-29,32,34-38H,8H2,1-2H3,(H2-,30,31,33)/p+1
HMDB50904	TG(20:3(5Z,8Z,11Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,32,37,40,54H,4-24,26,28-29,31,33-36,38-39,41-53H2,1-3H3/b27-25-,32-30-,40-37-
HMDB56179	DG(18:1n7/0:0/20:1n9)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42H,3-13,15,18,20-38H2,1-2H3/b16-14-,19-17-
HMDB56178	DG(18:1n7/0:0/18:1n9)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37,40H,3-12,14,16-17,19,21-36H2,1-2H3/b15-13-,20-18-
HMDB56177	DG(18:1n7/0:0/18:1n7)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40H,3-12,17-36H2,1-2H3/b15-13-,16-14-
HMDB56176	DG(16:1n7/0:0/22:6n3)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-26,30,32,39,42H,3-4,6,8-10,12,14-16,19,22,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23+,26-24-,32-30-
HMDB56175	DG(16:1n7/0:0/22:5n3)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-26,39,42H,3-4,6,8-10,12,14-16,19,22,27-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23+,26-24-
HMDB56174	DG(16:1n7/0:0/20:5n3)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-23,26,28,37,40H,3-4,6,8-10,12,14-16,19,24-25,27,29-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-,23-21+,28-26-
HMDB56173	DG(16:1n7/0:0/20:4n3)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-23,37,40H,3-4,6,8-10,12,14-16,19,24-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-,23-21+
HMDB56172	DG(16:1n7/0:0/18:4n3)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,35,38H,3-4,6,8-10,12,14-16,20,23,25-34H2,1-2H3/b7-5-,13-11-,18-17-,21-19+,24-22-
HMDB56171	DG(16:1n7/0:0/18:3n3)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21,35,38H,3-4,6,8-10,12,14-16,20,22-34H2,1-2H3/b7-5-,13-11-,18-17-,21-19+
HMDB56170	DG(16:1n7/0:0/22:5n6)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-26,30,32,39,42H,3-10,12,14-16,19,22,27-29,31,33-38H2,1-2H3/b13-11-,18-17-,21-20-,25-23+,26-24-,32-30-
HMDB41969	oxazepam glucuronide	[H][C@@]1(OC2([H])N=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N=C2O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	InChI=1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21-/m0/s1
HMDB41964	o-tolidine	CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1	InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
HMDB41965	o-toluidine	CC1=CC=CC=C1N	InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
HMDB41967	oltipraz	CC1=C(SSC1=S)C1=CN=CC=N1	InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3
HMDB41960	noroxycodone	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1(O)CCC2=O	InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
HMDB41962	norpropoxyphene	CCC(=O)OC(CC1=CC=CC=C1)(C(C)CNC)C1=CC=CC=C1	InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3
HMDB50905	TG(20:3(5Z,8Z,11Z)/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-32,34-35,39-40,42-43,56H,4-24,29-30,33,36-38,41,44-55H2,1-3H3/b27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB09933	PIP(16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,39,42-47,50-53H,3-10,12,14-16,19-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09932	PIP(16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,11,13,17-18,20,22,37,40-45,48-51H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09931	PIP(16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,26,28,37,40-45,48-51H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-,28-26-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09930	PIP(16:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,37,40-45,48-51H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09937	PIP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,20-21,24,26,30,32,39,42-47,50-53H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-,21-20-,26-24-,32-30-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09936	PIP(16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,20-21,24,26,39,42-47,50-53H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-,21-20-,26-24-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB44305	TG(16:0/20:2n6/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h13,16,22,25,51H,4-12,14-15,17-21,23-24,26-50H2,1-3H3/b16-13-,25-22-
HMDB44304	TG(16:0/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,53H,4-16,18-19,21-25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,28-26-,37-34-
HMDB09939	PIP(16:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H76O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h13-16,33,36-41,44-47H,3-12,17-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b15-13-,16-14-/t33-,36?,37?,38?,39?,40-,41+/m1/s1
HMDB09938	PIP(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-18,20-21,24,26,39,42-47,50-53H,3-4,6,8-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,18-17-,21-20-,26-24-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB30399	4-Chlorotryptophan; (S)-form, N-(Carbethoxyacetyl)	CCOC(=O)CC(=O)NC(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O	InChI=1S/C16H17ClN2O5/c1-2-24-14(21)7-13(20)19-12(16(22)23)6-9-8-18-11-5-3-4-10(17)15(9)11/h3-5,8,12,18H,2,6-7H2,1H3,(H,19,20)(H,22,23)
HMDB30398	N-(Carbomethoxyacetyl)-4-S-chlorotryptophan	COC(=O)CC(=O)NC(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O	InChI=1S/C15H15ClN2O5/c1-23-13(20)6-12(19)18-11(15(21)22)5-8-7-17-10-4-2-3-9(16)14(8)10/h2-4,7,11,17H,5-6H2,1H3,(H,18,19)(H,21,22)
HMDB30397	L-2-Amino-3-(4-aminophenyl)propanoic acid	NC(CC1=CC=C(N)C=C1)C(O)=O	InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
HMDB30396	()-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
HMDB30395	Manglupenone	CC12CCC(C1C1=CCC3C4(C)C=CC(=O)C(C)(C)C4CCC3(C)C1(C)CC2)C(=C)CO	InChI=1S/C30H44O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h8,12,14,20,22-23,25,31H,1,9-11,13,15-18H2,2-7H3
HMDB30394	Simmondsin	COC1CC(OC2OC(CO)C(O)C(O)C2O)\C(=C\C#N)C(O)C1OC	InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3-
HMDB30393	L-N-Carboxymethylserine	OCC(NCC(O)=O)C(O)=O	InChI=1S/C5H9NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,6-7H,1-2H2,(H,8,9)(H,10,11)
HMDB30392	Kukoamine A	OC1=CC=C(CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(O)=C(O)C=C2)C=C1O	InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
HMDB30391	Cepharadione B	COC1=CC2=C3C(=CC4=C(C=CC=C4)C3=C1OC)N(C)C(=O)C2=O	InChI=1S/C19H15NO4/c1-20-13-8-10-6-4-5-7-11(10)16-15(13)12(17(21)19(20)22)9-14(23-2)18(16)24-3/h4-9H,1-3H3
HMDB30390	(+)-Quebrachidine	COC(=O)C12[C@@H]3CC4(C(NC5=C4C=CC=C5)[C@@H]4CC1\C(CN34)=C/C)[C@@H]2O	InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17?,18-,20?,21?/m0/s1
HMDB32649	4,5-Epoxy-11(13)-guaien-12,8-olide	CC1CC2OC(=O)C(=C)C2CC23OC2(C)CCC13	InChI=1S/C15H20O3/c1-8-6-12-10(9(2)13(16)17-12)7-15-11(8)4-5-14(15,3)18-15/h8,10-12H,2,4-7H2,1,3H3
HMDB32648	Muridienin 1	CCCCCCCCCCCCCC\C=C\CC\C=C/CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h16-17,20-21,32-33H,3-15,18-19,22-31H2,1-2H3/b17-16+,21-20-
HMDB32647	Chatenaytrienin 2	CCCCCCCCCCCC\C=C/CC\C=C/CC\C=C/CCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h14-15,18-19,22-23,32-33H,3-13,16-17,20-21,24-31H2,1-2H3/b15-14-,19-18-,23-22-
HMDB32646	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 6''-(4-Hydroxybenzoyl)	OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C1O)C1=C(O)C=C(O)C(C(=O)C2=CC=C(O)C(O)=C2)=C1O	InChI=1S/C26H24O13/c27-12-4-1-10(2-5-12)26(37)38-9-17-21(33)23(35)24(36)25(39-17)19-16(31)8-15(30)18(22(19)34)20(32)11-3-6-13(28)14(29)7-11/h1-8,17,21,23-25,27-31,33-36H,9H2
HMDB59137	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,44-46,48-51,55-58,60-63,67-70,72-74,89-91,96H,5-8,10-12,14-20,29-32,41-43,47,52-54,59,64-66,71,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB58748	CL(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-47-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB03099	1-Methyluric acid	CN1C(=O)NC2=C(NC(=O)N2)C1=O	InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
HMDB59134	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,44-46,48-51,55-58,60-63,67,69,73,89-91,96H,5-8,10,12,14,16-20,29-32,41-43,47,52-54,59,64-66,68,70-72,74-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,73-69-/t89?,90-,91-/m1/s1
HMDB58749	CL(18:2(9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-42-38-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35-36,38-39,43,49,53,74-76,81H,5-20,22-24,29,34,37,40-42,44-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-36-,43-39-,53-49-/t74?,75-,76-/m1/s1
HMDB32829	Quinquenoside IV	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3=CC(O)C21C	InChI=1S/C54H90O24/c1-22(2)10-9-13-53(7,78-48-44(70)40(66)37(63)28(75-48)21-71-46-42(68)38(64)34(60)25(18-55)72-46)23-11-15-52(6)33(23)24(58)16-30-51(5)14-12-32(50(3,4)29(51)17-31(59)54(30,52)8)76-49-45(41(67)36(62)27(20-57)74-49)77-47-43(69)39(65)35(61)26(19-56)73-47/h10,17,23-28,30-49,55-70H,9,11-16,18-21H2,1-8H3
HMDB32828	Corchorusoside E	CC1OC(CC(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C41H64O19/c1-18-34(59-37-33(51)31(49)35(26(15-43)58-37)60-36-32(50)30(48)29(47)25(14-42)57-36)24(45)12-28(55-18)56-20-3-8-39(17-44)22-4-7-38(2)21(19-11-27(46)54-16-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,18,20-26,28-37,42-45,47-53H,3-10,12-17H2,1-2H3
HMDB32823	Corchorusoside A	CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C3C(O)CC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C35H54O14/c1-16-30(49-31-29(42)28(41)27(40)23(14-36)48-31)21(37)11-25(46-16)47-18-4-7-32(2)26-20(5-8-34(32,43)12-18)35(44)9-6-19(17-10-24(39)45-15-17)33(35,3)13-22(26)38/h10,16,18-23,25-31,36-38,40-44H,4-9,11-15H2,1-3H3
HMDB32822	5-Sulfo-1,3-benzenedicarboxylic acid	OC(=O)C1=CC(=CC(=C1)C(O)=O)S(O)(=O)=O	InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
HMDB32821	Corchorusoside B	CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2C(O)CC2(C)C(CCC32O)C2=CC(=O)OC2)C1	InChI=1S/C35H54O13/c1-16-31(48-32-30(42)29(41)28(40)24(14-36)47-32)22(37)12-26(45-16)46-19-6-8-33(2)18(11-19)4-5-21-27(33)23(38)13-34(3)20(7-9-35(21,34)43)17-10-25(39)44-15-17/h10,16,18-24,26-32,36-38,40-43H,4-9,11-15H2,1-3H3
HMDB32820	Gibberellin Ga115	CC1(CCCC2(C=O)C3CC(O)C4CC3(CC4=C)C(C12)C(O)=O)C(O)=O	InChI=1S/C20H26O6/c1-10-7-20-8-11(10)12(22)6-13(20)19(9-21)5-3-4-18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)
HMDB32827	Peroxyoctanoic acid	CCCCCCCC(=O)OO	InChI=1S/C8H16O3/c1-2-3-4-5-6-7-8(9)11-10/h10H,2-7H2,1H3
HMDB32825	Dipropyl trisulfide	CCCSSSCCC	InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
HMDB32824	C.I. Acid Yellow 17	CC1=NN(C(O)=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)C1=C(Cl)C=C(C(Cl)=C1)S(O)(=O)=O	InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+
HMDB37802	2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol	CCCCCCCCOC1=CC(O)=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(C)C=C1C)C1=CC=C(C)C=C1C	InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3
HMDB37803	C.I. Pigment Yellow	CC1=NN(C(=O)C1\N=N\C1=CC(Cl)=C(Cl)C=C1S(O)(=O)=O)C1=CC=CC(=C1)S(O)(=O)=O	InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+
HMDB37800	Annuolide B	CC1C2CCC(=C)C3CC=C(CO)C3C2OC1=O	InChI=1S/C15H20O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,9,11-14,16H,1,3,5-7H2,2H3
HMDB30853	(R)-Meranzin	COC1=C(CC2OC2(C)C)C2=C(C=CC(=O)O2)C=C1	InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3
HMDB30854	(S)-Auraptenol	COC1=CC=C2C=CC(=O)OC2=C1CC(O)C(C)=C	InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3
HMDB09065	PE(18:1(9Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,41H,3-16,20,22-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-/t41-/m1/s1
HMDB09064	PE(18:1(9Z)/20:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h18,21,41H,3-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b21-18-/t41-/m1/s1
HMDB09067	PE(18:1(9Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,41H,3-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB09066	PE(18:1(9Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,41H,3-10,12,14-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-/t41-/m1/s1
HMDB09061	PE(18:1(9Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,39H,3-11,13,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b14-12-,19-17-,20-18-,26-24-/t39-/m1/s1
HMDB09060	PE(18:1(9Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,39H,3-11,13,15-16,21-38,42H2,1-2H3,(H,45,46)/b14-12-,19-17-,20-18-/t39-/m1/s1
HMDB09063	PE(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,39H,3-5,7,9-11,13,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1
HMDB09062	PE(18:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,39H,3-5,7,9-11,13,15-16,21-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,19-17-,20-18-/t39-/m1/s1
HMDB30857	Aurasperone B	COC1=CC(OC)=C2C(O)=C3C(=O)CC(C)(O)OC3=C(C2=C1)C1=C(OC)C2=C(C=C1OC)C=C1OC(C)(O)CC(=O)C1=C2O	InChI=1S/C32H30O12/c1-31(37)11-16(33)24-20(43-31)8-13-7-18(40-4)26(29(42-6)21(13)27(24)35)23-15-9-14(39-3)10-19(41-5)22(15)28(36)25-17(34)12-32(2,38)44-30(23)25/h7-10,35-38H,11-12H2,1-6H3
HMDB09069	PE(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,41H,3-10,12,14-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB09068	PE(18:1(9Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,41H,3-10,12,14-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,24-22-/t41-/m1/s1
HMDB37374	Dactylin	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3
HMDB37375	Isorhamnetin 3-glucoside 4'-rhamnoside	COC1=C(OC2OC(C)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)42-13-4-3-10(5-14(13)39-2)25-26(20(34)17-12(31)6-11(30)7-15(17)41-25)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3
HMDB37376	1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one	COC1=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=C(C)C(O)=C1C	InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
HMDB37377	Carthamone	OCC1OC(OC2=C(C(=O)\C=C\C3=CC=C(O)C=C3)C(=O)C=C(O)C2=O)C(O)C(O)C1O	InChI=1S/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,26,28-30H,8H2/b6-3+
HMDB37370	Salvianolic acid L	OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)C1C(C2=CC=C(O)C(O)=C2)C(=CC2=CC=C(O)C(O)=C12)C(=O)OC(CC1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C36H30O16/c37-20-5-1-15(9-24(20)41)11-27(33(45)46)51-35(49)19-13-17-4-8-23(40)32(44)30(17)31(29(19)18-3-7-22(39)26(43)14-18)36(50)52-28(34(47)48)12-16-2-6-21(38)25(42)10-16/h1-10,13-14,27-29,31,37-44H,11-12H2,(H,45,46)(H,47,48)
HMDB37371	Suillusin	COC(=O)C12OC3=CC=C(O)C=C3C1C(=O)C(O)=C2C1=CC=C(O)C(O)=C1	InChI=1S/C19H14O8/c1-26-18(25)19-14(8-2-4-11(21)12(22)6-8)16(23)17(24)15(19)10-7-9(20)3-5-13(10)27-19/h2-7,15,20-23H,1H3
HMDB37372	3-Methylbutyl dodecanoate	CCCCCCCCCCCC(=O)OCCC(C)C	InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
HMDB37373	Quercetin 3-(3'',6''-di-p-coumarylglucoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C39H32O16/c40-22-8-1-19(2-9-22)5-13-30(46)51-18-29-33(48)37(54-31(47)14-6-20-3-10-23(41)11-4-20)35(50)39(53-29)55-38-34(49)32-27(45)16-24(42)17-28(32)52-36(38)21-7-12-25(43)26(44)15-21/h1-17,29,33,35,37,39-45,48,50H,18H2/b13-5+,14-6+
HMDB14118	trifluoroacetic acid	OC(=O)C(F)(F)F	InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
HMDB37378	4-Deoxyadhumulone	CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O	InChI=1S/C21H30O4/c1-7-14(6)18(22)17-20(24)15(10-8-12(2)3)19(23)16(21(17)25)11-9-13(4)5/h8-9,14,23-25H,7,10-11H2,1-6H3
HMDB37379	Vamonolide	CC(C1CCC2(O)C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C)C1CC(C)C(C)C(=O)O1	InChI=1S/C28H40O6/c1-14-13-19(33-24(30)15(14)2)16(3)17-9-12-27(31)21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,14-19,21-23,31-32H,8-13H2,1-5H3
HMDB37507	Folerogenin	COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC=C(O)C=C1	InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3
HMDB30734	Isomorellic acid	CC(C)=CCC1=C2OC34C5CC(C=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C(=O)C4(C\C=C(\C)C(O)=O)OC5(C)C	InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10-
HMDB37505	Trilobatin	OCC1OC(OC2=CC(O)=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2
HMDB30736	Capsianoside IV	C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C32H52O13/c1-6-32(5,15-9-13-19(3)11-7-10-18(2)12-8-14-20(4)29(40)41)45-31-28(26(38)24(36)22(17-34)43-31)44-30-27(39)25(37)23(35)21(16-33)42-30/h6,10,13-14,21-28,30-31,33-39H,1,7-9,11-12,15-17H2,2-5H3,(H,40,41)/b18-10+,19-13+,20-14+
HMDB37503	3,4',5-Trihydroxy-3',7-dimethoxyflavanone	COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC=C(O)C(OC)=C1	InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,16-19,21H,1-2H3
HMDB30730	3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyletin	CC(C)=CCC1=C2OC(=O)C(=CC2=CC2=C1OC(C)(C)C=C2)C(C)(C)C=C	InChI=1S/C24H28O3/c1-8-23(4,5)19-14-17-13-16-11-12-24(6,7)27-21(16)18(10-9-15(2)3)20(17)26-22(19)25/h8-9,11-14H,1,10H2,2-7H3
HMDB37501	Dihydroisorhamnetin	COC1=CC(=CC=C1O)C1OC2=CC(O)=CC(O)=C2C(=O)C1O	InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3
HMDB37500	Subulin	COC1=C2C(=O)\C(OC2=CC(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)=C1)=C/C1=CC(O)=C(O)C(O)=C1	InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)44-26-17(8-29)43-28(25(38)23(26)36)41-11-6-14(39-2)18-15(7-11)42-16(21(18)34)5-10-3-12(30)20(33)13(31)4-10/h3-7,9,17,19,22-33,35-38H,8H2,1-2H3/b16-5+
HMDB42095	TG(14:0/15:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB42094	TG(14:0/15:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3
HMDB42097	TG(14:0/15:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB42096	TG(14:0/15:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB42091	TG(14:0/15:0/14:0)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C46H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43(41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2)42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3/h43H,4-42H2,1-3H3
HMDB42090	TG(14:0/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H96O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-45-47(54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3
HMDB42093	TG(14:0/15:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3
HMDB42092	TG(14:0/15:0/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3
HMDB40945	Helianthoside A	CC1OC(OC2C(C)OC(OC3C(O)C(COC4OCC(O)C(O)C4O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(O)CC65C)C(O)=O)C4(C)C)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C53H86O21/c1-22-32(56)35(59)38(62)44(69-22)73-41-23(2)70-45(39(63)36(41)60)74-42-34(58)27(21-68-43-37(61)33(57)26(54)20-67-43)71-46(40(42)64)72-31-13-14-50(7)28(49(31,5)6)12-15-51(8)29(50)11-10-24-25-18-48(3,4)16-17-53(25,47(65)66)30(55)19-52(24,51)9/h10,22-23,25-46,54-64H,11-21H2,1-9H3,(H,65,66)
HMDB42099	TG(14:0/15:0/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h19,22,45H,4-18,20-21,23-44H2,1-3H3/b22-19-
HMDB42098	TG(14:0/15:0/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43(41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2)42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3/h14,17,43H,4-13,15-16,18-42H2,1-3H3/b17-14-
HMDB40944	3-Epigibberellin A1	CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)OC2=O	InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)
HMDB40947	Melongoside M	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C57H92O27/c1-21-8-13-57(73-20-21)22(2)34-29(84-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)75-54-49(83-53-45(72)41(68)47(33(19-61)79-53)81-52-43(70)39(66)36(63)31(17-59)77-52)48(37(64)32(18-60)78-54)82-50-44(71)40(67)46(23(3)74-50)80-51-42(69)38(65)35(62)30(16-58)76-51/h6,21-23,25-54,58-72H,7-20H2,1-5H3
HMDB40946	Jujubasaponin VI	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(C)OC(CC6OC55CC43CO5)C(C)(C)O)C2(C)C)C(O)C(O)C1O	InChI=1S/C42H68O14/c1-19-27(44)29(46)31(48)34(51-19)54-32-30(47)28(45)21(16-43)52-35(32)53-24-12-13-38(6)22(36(24,2)3)11-14-39(7)23(38)10-9-20-33-40(8)26(15-25(55-40)37(4,5)49)56-42(33)17-41(20,39)18-50-42/h19-35,43-49H,9-18H2,1-8H3
HMDB37950	Catechin 3',4'-diglucoside	OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C=C(C=C2)C2OC3=C(CC2O)C(O)=CC(O)=C3)C(O)C(O)C1O	InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(25-13(32)6-11-12(31)4-10(30)5-15(11)39-25)3-16(14)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2
HMDB37951	Catechin 3',5-diglucoside	OCC1OC(OC2=CC(O)=CC3=C2CC(O)C(O3)C2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-13(32)25(39-14)9-1-2-12(31)16(3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2
HMDB37952	Catechin 3',7-diglucoside	OCC1OC(OC2=CC3=C(CC(O)C(O3)C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-14(32)25(40-15(11)5-10)9-1-2-12(30)16(3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,14,17-38H,6-8H2
HMDB37953	(-)-Catechin	O[C@@H]1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2O	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1
HMDB37954	(+)-Epicatechin	O[C@H]1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2O	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1
HMDB37955	3,3',4',5,7-Pentahydroxyflavan; (2RS,3RS)-form, 3',4'-Methylene, 5,7-di-Me ether	COC1=CC2=C(CC(O)C(O2)C2=CC3=C(OCO3)C=C2)C(OC)=C1	InChI=1S/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3
HMDB37956	5,8-Epidioxyergosta-6,22-dien-3-ol; (3b,5b,8b,22E,24R)-form, 3-O-b-D-Glucopyranoside	CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(CC33OOC21C=C3)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+
HMDB37957	Quercetin 3-rutinoside 7-galactoside	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3
HMDB37958	Rutin, JAN; 3',7-Di-O-b-D-glucopyranoside	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)C3=O)C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C39H50O26/c1-10-21(44)26(49)30(53)36(58-10)57-9-19-24(47)29(52)33(56)39(64-19)65-35-25(48)20-14(43)5-12(59-37-31(54)27(50)22(45)17(7-40)62-37)6-16(20)60-34(35)11-2-3-13(42)15(4-11)61-38-32(55)28(51)23(46)18(8-41)63-38/h2-6,10,17-19,21-24,26-33,36-47,49-56H,7-9H2,1H3
HMDB37959	Manghaslin	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3
HMDB58740	CL(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB42329	TG(14:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,33,39,42,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,33-31-,42-39-
HMDB42328	TG(14:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,33,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32,34-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,33-31-
HMDB42323	TG(14:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,33,39,42,52H,4-15,17-18,21-22,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,33-31-,42-39-
HMDB42322	TG(14:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,33,52H,4-15,17-18,21-22,26,29-30,32,34-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,33-31-
HMDB42321	TG(14:0/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,52H,4-15,17-18,21-22,26-51H2,1-3H3/b19-16-,23-20-,25-24-
HMDB42320	TG(14:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,34,37,50H,4-15,17-18,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-,37-34-
HMDB42327	TG(14:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,34,37,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-,37-34-
HMDB42326	TG(14:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-
HMDB42325	TG(14:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,29,32,48H,4-6,8-9,11-15,17-18,21-22,26-28,30-31,33-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,32-29-
HMDB42324	TG(14:0/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,48H,4-6,8-9,11-15,17-18,21-22,26-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-
HMDB13462	SM(d18:0/14:1(9Z)(OH))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCC\C=C/CCCC	InChI=1S/C37H73N2O7P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(41)35(33-46-47(43,44)45-31-30-39(3,4)5)38-37(42)32-34(40)28-26-24-22-20-15-13-11-9-7-2/h13,15,27,29,34-36,40-41H,6-12,14,16-26,28,30-33H2,1-5H3,(H-,38,42,43,44)/b15-13-,29-27+/t34?,35-,36+/m0/s1
HMDB13463	SM(d18:0/16:1(9Z)(OH))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCC\C=C/CCCCCC	InChI=1S/C39H77N2O7P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(43)37(35-48-49(45,46)47-33-32-41(3,4)5)40-39(44)34-36(42)30-28-26-24-22-20-17-15-13-11-9-7-2/h17,20,29,31,36-38,42-43H,6-16,18-19,21-28,30,32-35H2,1-5H3,(H-,40,44,45,46)/b20-17-,31-29+/t36?,37-,38+/m0/s1
HMDB13460	PC(o-24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,31,33,37,39,51H,6-14,16,18-20,22,24-30,32,34-36,38,40-50H2,1-5H3/b17-15-,23-21-,33-31-,39-37-/t51-/m1/s1
HMDB13461	SM(d18:0/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h20-21,40,42,47-48,52H,6-19,22-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b21-20-,42-40+/t47-,48+/m0/s1
HMDB13466	SM(d18:0/22:1(13Z)(OH))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H89N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h20-21,35,37,42-44,48-49H,6-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b21-20-,37-35+/t42?,43-,44+/m0/s1
HMDB36022	Isospirene	CC1OC2(C=C1)C(C)C(C)CC=C2C	InChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3
HMDB13464	SM(d18:0/16:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,37-38,42H,6-16,18,20-36H2,1-5H3,(H-,40,43,44,45)/b19-17-/t37-,38+/m0/s1
HMDB36020	Titanium(IV) oxide (TiO2)	[O--].[O--].[Ti+4]	InChI=1S/2O.Ti/q2*-2;+4
HMDB46433	TG(22:0/14:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14-15,17-18,50H,4-13,16,19-49H2,1-3H3/b17-14-,18-15-
HMDB46432	TG(22:0/14:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,60H,4-14,16-17,19-59H2,1-3H3/b18-15-
HMDB13468	SM(d18:0/22:3(10Z,13Z,16Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,36,38,43-44,48H,6-13,15,17-19,22,25-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b16-14-,21-20-,24-23-,38-36+/t43-,44+/m0/s1
HMDB13469	SM(d18:0/24:1(15Z)(OH))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H93N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-44(50)42-47(52)48-45(43-56-57(53,54)55-41-40-49(3,4)5)46(51)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,37,39,44-46,50-51H,6-19,22-36,38,40-43H2,1-5H3,(H-,48,52,53,54)/b21-20-,39-37+/t44?,45-,46+/m0/s1
HMDB46437	TG(22:0/14:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,56H,4-14,16-17,19-24,26,28-55H2,1-3H3/b18-15-,27-25-
HMDB46436	TG(22:0/14:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,25,30,54H,4-14,16-17,19-24,26-29,31-53H2,1-3H3/b18-15-,30-25-
HMDB36029	Clarycet	CCCC1CC(C)(CCO1)OC(C)=O	InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3
HMDB36028	alpha-(Methoxyimino)-N-methyl-2-[[[1-[3-(trifluoromethyl)phenyl]ethoxy]imino]methyl]benzeneacetamide	CNC(=O)C(=N\OC)\C1=CC=CC=C1\C=N\OC(C)C1=CC=CC(=C1)C(F)(F)F	InChI=1S/C20H20F3N3O3/c1-13(14-8-6-9-16(11-14)20(21,22)23)29-25-12-15-7-4-5-10-17(15)18(26-28-3)19(27)24-2/h4-13H,1-3H3,(H,24,27)/b25-12+,26-18+
HMDB48731	TG(16:1(9Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,35,38,60H,4-16,18-19,22-23,29-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,38-35-
HMDB49061	TG(16:1(9Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-
HMDB49063	TG(16:1(9Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,57H,4-15,17-18,20,22-23,26,28-56H2,1-3H3/b19-16-,24-21-,27-25-
HMDB49062	TG(16:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,39,42,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,42-39-
HMDB49065	TG(16:1(9Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,44,47,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-,47-44-
HMDB49067	TG(16:1(9Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-
HMDB55755	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,36,38-39,42,44,47-48,51,61H,4-6,9,12-14,21-23,30-31,33,35,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-,51-48-
HMDB50825	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,39,42,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-
HMDB43058	TG(15:0/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27,30-31,37,40,53H,4-24,26,28-29,32-36,38-39,41-52H2,1-3H3/b27-25-,31-30-,40-37-
HMDB43059	TG(15:0/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-
HMDB43052	TG(15:0/18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB43053	TG(15:0/18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,47H,4-14,16-17,19-46H2,1-3H3/b18-15-
HMDB43050	TG(15:0/18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB43051	TG(15:0/18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB43056	TG(15:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-
HMDB43057	TG(15:0/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27,53H,4-24,26,28-52H2,1-3H3/b27-25-
HMDB43054	TG(15:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-
HMDB43055	TG(15:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,51H,4-18,20-21,23-50H2,1-3H3/b22-19-
HMDB47748	TG(14:1(9Z)/15:0/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C48H88O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18-19,22,45H,4-14,16-17,20-21,23-44H2,1-3H3/b18-15-,22-19-
HMDB47749	TG(14:1(9Z)/15:0/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18-19,22,47H,4-14,16-17,20-21,23-46H2,1-3H3/b18-15-,22-19-
HMDB47742	TG(14:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,48H,4-6,8-9,11-13,15,18,20-22,25,28-47H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-
HMDB47743	TG(14:1(9Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,32,35,48H,4-6,8-9,11-13,15,18,20-22,25,28-31,33-34,36-47H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,35-32-
HMDB47740	TG(14:1(9Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,46H,4-6,8-9,11-13,15,18,20-22,25-45H2,1-3H3/b10-7-,17-14-,19-16-,24-23-
HMDB47741	TG(14:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,28,30,46H,4-6,8-9,11-13,15,18,20-22,25-27,29,31-45H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,30-28-
HMDB47746	TG(14:1(9Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H94O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-45-47(54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2/h14,17,47H,4-13,15-16,18-46H2,1-3H3/b17-14-
HMDB47747	TG(14:1(9Z)/15:0/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C46H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43(41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2)42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,43H,4-13,16,19-42H2,1-3H3/b17-14-,18-15-
HMDB47744	TG(14:1(9Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,29,32,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-
HMDB47745	TG(14:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-,40-37-
HMDB54485	TG(22:2(13Z,16Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,44,47,64H,4-8,10-11,13-16,19,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-,47-44-
HMDB54484	TG(22:2(13Z,16Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,38,64H,4-8,10-11,13-16,19,22-24,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,38-27-
HMDB54487	TG(22:2(13Z,16Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,49,52,66H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB54486	TG(22:2(13Z,16Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,40,43,66H,4-8,10-11,13-16,19,22-24,31-39,41-42,44-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB54481	TG(22:2(13Z,16Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,68H,4-16,19,22-24,31-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-
HMDB54483	TG(22:2(13Z,16Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36,39,45,48,54,57,68H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB57663	CL(16:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,36-37,39,74-76,81H,5-24,26,30,33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,32-28-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB57664	CL(16:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-39,74-76,81H,5-24,26-27,30-31,33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB57665	CL(16:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-40,75-77,82H,5-24,27,31,33-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB59426	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59427	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-50,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-/t80-,81-/m1/s1
HMDB34379	Silenoside A	CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C64H100O31/c1-24-34(69)38(73)49(93-54-44(79)41(76)46(25(2)87-54)90-53-45(80)47(29(68)22-85-53)91-52-42(77)35(70)28(67)21-84-52)56(86-24)95-58(83)64-17-15-59(3,4)19-27(64)26-9-10-32-60(5)13-12-33(61(6,23-66)31(60)11-14-63(32,8)62(26,7)16-18-64)89-57-50(40(75)39(74)48(92-57)51(81)82)94-55-43(78)37(72)36(71)30(20-65)88-55/h9,23-25,27-50,52-57,65,67-80H,10-22H2,1-8H3,(H,81,82)
HMDB34378	()-1-(4-Methylphenyl)ethanol	CC(O)C1=CC=C(C)C=C1	InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3
HMDB34371	Piperettine	O=C(\C=C\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1	InChI=1S/C19H21NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+
HMDB34370	Ibervirin	CSCCCN=C=S	InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
HMDB34373	N-(14-Methylhexadecanoyl)pyrrolidine	CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1	InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3
HMDB34372	xi-3-Methyl-3-cyclohexen-1-ol	CC1=CCCC(O)C1	InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h3,7-8H,2,4-5H2,1H3
HMDB34375	Furostane-3,22,26-triol; (3b,5b,22a,25R)-form, 22-Me ether, 3-O-[b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside], 26-O-b-D-glucopyranoside	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C46H78O19/c1-20(19-59-41-38(56)35(53)32(50)28(16-47)61-41)8-13-46(58-5)21(2)31-27(65-46)15-26-24-7-6-22-14-23(9-11-44(22,3)25(24)10-12-45(26,31)4)60-43-40(37(55)34(52)30(18-49)63-43)64-42-39(57)36(54)33(51)29(17-48)62-42/h20-43,47-57H,6-19H2,1-5H3
HMDB34374	3,19-Dihydroxy-12-ursen-28-oic acid; (3b,19a)-form, 3-O-b-D-Arabinopyranoside, Me ester	COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2	InChI=1S/C36H58O8/c1-20-11-16-36(30(40)42-8)18-17-33(5)21(28(36)35(20,7)41)9-10-24-32(4)14-13-25(31(2,3)23(32)12-15-34(24,33)6)44-29-27(39)26(38)22(37)19-43-29/h9,20,22-29,37-39,41H,10-19H2,1-8H3
HMDB34377	3-(Methylthio)propanoic acid, 9CI; Me ester	COC(=O)CCSC	InChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3
HMDB34376	Imperatorin	CC(C)=CCOC1=C2OC(=O)C=CC2=CC2=C1OC=C2	InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
HMDB56292	DG(18:2n6/0:0/20:4n3)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-23,25,40,43H,3-4,6,8-10,12,15,18,21,24,26-39H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-20-,25-23-
HMDB56293	DG(18:2n6/0:0/20:5n3)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-23,25,29,31,40,43H,3-4,6,8-10,12,15,18,21,24,26-28,30,32-39H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-20-,25-23-,31-29-
HMDB15048	Repaglinide	CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O	InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
HMDB15049	Anileridine	CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1	InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
HMDB15042	Tiagabine	CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1	InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
HMDB15043	Cocaine	[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C	InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
HMDB15041	Bimatoprost	CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1	InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1
HMDB15046	Paricalcitol	[H]C1CC[C@]2(C)[C@]([H])(CC[C@@]2([H])\C1=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(O)(C)C	InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
HMDB15047	Tinidazole	CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O	InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
HMDB15044	Quinidine	[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
HMDB15045	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12	InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
HMDB05038	Citalopram	CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1	InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
HMDB05039	Sildenafil	CCCC1=NN(C)C2=C1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(C)CC1	InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
HMDB05036	Fluticasone	[H][C@@]12C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]1(F)[C@@H](O)C[C@@]1(C)C2C[C@@H](C)[C@]1(OC(=O)CC)C(=O)SCF	InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15?,16+,18+,19+,22+,23+,24+,25+/m1/s1
HMDB05037	Sumatriptan	CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)C)C=C1	InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
HMDB05034	Topiramate	CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1	InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
HMDB05035	Ondansetron	CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2	InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
HMDB05032	Cetirizine	OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)
HMDB05033	Valdecoxib	CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O	InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
HMDB05030	Fexofenadine	CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
HMDB05031	Rosiglitazone	CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1	InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
HMDB56298	DG(18:3n6/0:0/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,39,42H,3-10,15-16,20,23,26,28-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-
HMDB41410	2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one	COC1=CC2=C(OC(C)(C)CC2=O)C=C1	InChI=1S/C12H14O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6H,7H2,1-3H3
HMDB33935	Anigorufone	OC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1	InChI=1S/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,20H
HMDB29939	6-Amino-9H-purine-9-propanoic acid	NC1=NC=NC2=C1N=CN2CCC(O)=O	InChI=1S/C8H9N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)2-1-5(14)15/h3-4H,1-2H2,(H,14,15)(H2,9,10,11)
HMDB29938	Acaciabiuronic acid	OC(COC1OC(C(O)C(O)C1O)C(O)=O)C(O)C(O)C(O)C=O.OC(COC1OC(C(O)C(O)C1O)C(O)=O)C1OC(O)C(O)C1O.OC1OC(COC2OC(C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/3C12H20O12/c13-2(8-5(16)6(17)11(21)23-8)1-22-12-7(18)3(14)4(15)9(24-12)10(19)20;13-3-2(23-11(21)7(17)4(3)14)1-22-12-8(18)5(15)6(16)9(24-12)10(19)20;13-1-3(14)5(16)6(17)4(15)2-23-12-9(20)7(18)8(19)10(24-12)11(21)22/h2*2-9,11-18,21H,1H2,(H,19,20);1,3-10,12,14-20H,2H2,(H,21,22)
HMDB29931	Mannan	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@H](O[C@@H]4[C@H](O)[C@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19-,20-,21-,22+,23+,24+/m1/s1
HMDB29930	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1-&gt;4)-D-glucopyranoside	OCC1OC(CO)(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C18H32O16/c19-1-5-8(23)10(25)12(27)16(30-5)32-14-7(3-21)31-17(13(28)11(14)26)34-18(4-22)15(29)9(24)6(2-20)33-18/h5-17,19-29H,1-4H2
HMDB29933	Mannobiose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1
HMDB29932	D-Arabino-hexos-2-ulose	OCC(O)C(O)C(O)C(=O)C=O.OCC(O)C1OC(O)C(=O)C1O.OCC1OC(O)C(=O)C(O)C1O.OC1COC(O)(C=O)C(O)C1O	InChI=1S/4C6H10O6/c7-2-6(11)5(10)4(9)3(8)1-12-6;7-1-2(8)5-3(9)4(10)6(11)12-5;7-1-2-3(8)4(9)5(10)6(11)12-2;7-1-3(9)5(11)6(12)4(10)2-8/h2-5,8-11H,1H2;2-3,5-9,11H,1H2;2-4,6-9,11H,1H2;1,4-6,8,10-12H,2H2
HMDB29935	D-Manno-2-heptulose	OCC(O)C(O)C(O)C(O)C(=O)CO.OCC1OC(O)(CO)C(O)C(O)C1O	InChI=1S/2C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3;8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-6,8-13H,1-2H2;3,5-10,12-14H,1-2H2
HMDB29934	D-1-Deoxy-erythro-hexo-2,3-diulose	CC(=O)C(=O)C(O)C(O)CO.CC(=O)C1(O)OCC(O)C1O	InChI=1S/2C6H10O5/c1-3(7)6(10)5(9)4(8)2-11-6;1-3(8)5(10)6(11)4(9)2-7/h4-5,8-10H,2H2,1H3;4,6-7,9,11H,2H2,1H3
HMDB29937	Panose	OCC1OC(OCC2OC(OC3C(O)C(O)C(O)OC3CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2
HMDB29936	(2S,4R,5S)-Muscarine	CC1OC(C[N+](C)(C)C)CC1O	InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1
HMDB53398	TG(20:2n6/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31-33,37,40,59H,4-13,15,18,20-22,24,29-30,34-36,38-39,41-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,40-37-
HMDB53399	TG(20:2n6/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31-33,37,40,46,49,59H,4-13,15,18,20-22,24,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB53390	TG(20:2n6/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,33,35,41,44,57H,4-6,8-9,11-13,15,18,20,22,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,35-33-,44-41-
HMDB53391	TG(20:2n6/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,31-32,37,40,59H,4-6,8-9,11-13,15,18,20,22,27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,40-37-
HMDB53392	TG(20:2n6/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,31-32,37,40,46,49,59H,4-6,8-9,11-13,15,18,20,22,27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,40-37-,49-46-
HMDB53393	TG(20:2n6/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h13,16,21-22,24-25,56H,4-12,14-15,17-20,23,26-55H2,1-3H3/b16-13-,24-21-,25-22-
HMDB53394	TG(20:2n6/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-27,30,56H,4-12,15,18-21,24,28-29,31-55H2,1-3H3/b16-13-,17-14-,25-22-,26-23-,30-27-
HMDB53395	TG(20:2n6/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31,33,35,57H,4-13,15,18,20-22,24,29-30,32,34,36-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,31-27-,35-33-
HMDB53396	TG(20:2n6/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31,33,35,41,44,57H,4-13,15,18,20-22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB53397	TG(20:2n6/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,33,59H,4-13,15,18,20-22,24,29-32,34-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-27-
HMDB10170	11,12,15-TriHETRE	CCCCCC(O)\C=C\C(\O)=C(\O)C\C=C\CCCCCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h7,10,15-17,21-23H,2-6,8-9,11-14H2,1H3,(H,24,25)/b10-7+,16-15+,19-18-
HMDB57218	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37-39,41-43,78-80,85H,5-24,28,32-36,40,44-77H2,1-4H3,(H,90,91)(H,92,93)/b29-25-,30-26-,31-27-,41-37-,42-38-,43-39-/t78?,79-,80-/m1/s1
HMDB52255	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,37-38,43-44,46-47,64H,4-16,19,22-24,30-33,35-36,39-42,45,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-
HMDB41414	Chloromarmin	C\C(CCC(O)C(C)(C)Cl)=C/COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C19H23ClO4/c1-13(4-8-17(21)19(2,3)20)10-11-23-15-7-5-14-6-9-18(22)24-16(14)12-15/h5-7,9-10,12,17,21H,4,8,11H2,1-3H3/b13-10+
HMDB41415	Aeglin	C\C(=C/COC1=CC=C2C=CC(=O)OC2=C1)C(O)CC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O	InChI=1S/C25H34O11/c1-13(8-9-33-15-6-4-14-5-7-20(28)34-17(14)10-15)16(27)11-19(25(2,3)32)36-24-23(31)22(30)21(29)18(12-26)35-24/h4-8,10,16,18-19,21-24,26-27,29-32H,9,11-12H2,1-3H3/b13-8+
HMDB51353	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB52259	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,37,41,47,50,68H,4-16,19,22-24,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-
HMDB04848	Ganglioside GM3 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC\C=C/CCCCCCCCC	InChI=1S/C65H118N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h19-20,36,38,46-51,53-63,68-70,72-74,76-80H,4-18,21-35,37,39-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/b20-19-,38-36-/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60-,61-,62+,63-,65-/m0/s1
HMDB04849	Ganglioside GM3 (d18:1/26:1(17Z)))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h18-19,38,40,48-53,55-65,70-72,74-76,78-82H,4-17,20-37,39,41-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/b19-18-,40-38+/t48-,49+,50-,51+,52+,53+,55+,56+,57-,58+,59?,60+,61+,62?,63-,64+,65-,67-/m0/s1
HMDB52448	TG(18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,31-32,34,37,40,46,49,59H,4-15,17-18,21-22,24,26-27,30,33,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,34-29-,40-37-,49-46-
HMDB04840	Galabiosylceramide (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C54H103NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h35,37,42-45,47-54,56-58,60-64H,3-34,36,38-41H2,1-2H3,(H,55,59)/b37-35-/t42?,43?,44-,45-,47+,48+,49-,50-,51-,52+,53-,54-/m1/s1
HMDB04841	Galabiosylceramide (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C55H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-47(60)56-43(44(59)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)42-66-54-52(65)50(63)53(46(41-58)68-54)69-55-51(64)49(62)48(61)45(40-57)67-55/h36,38,43-46,48-55,57-59,61-65H,3-35,37,39-42H2,1-2H3,(H,56,60)/b38-36-/t43?,44?,45-,46-,48+,49+,50-,51-,52-,53+,54-,55-/m1/s1
HMDB04842	Ganglioside GM3 (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC	InChI=1S/C53H96N2O21/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(60)34(55-40(63)27-25-23-21-18-13-11-9-7-5-2)32-71-50-45(67)44(66)47(39(31-58)73-50)74-51-46(68)49(43(65)38(30-57)72-51)76-53(52(69)70)28-36(61)41(54-33(3)59)48(75-53)42(64)37(62)29-56/h24,26,34-39,41-51,56-58,60-62,64-68H,4-23,25,27-32H2,1-3H3,(H,54,59)(H,55,63)(H,69,70)/b26-24+/t34-,35+,36-,37+,38+,39+,41+,42+,43-,44+,45?,46+,47+,48?,49-,50+,51-,53-/m0/s1
HMDB04843	Ganglioside GM3 (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCC	InChI=1S/C58H104N2O21/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-45(68)60-39(40(65)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)37-76-55-50(72)49(71)52(44(36-63)78-55)79-56-51(73)54(48(70)43(35-62)77-56)81-58(57(74)75)33-41(66)46(59-38(3)64)53(80-58)47(69)42(67)34-61/h16,18,29,31,39-44,46-56,61-63,65-67,69-73H,4-15,17,19-28,30,32-37H2,1-3H3,(H,59,64)(H,60,68)(H,74,75)/b18-16-,31-29-/t39-,40+,41-,42+,43+,44+,46+,47+,48-,49+,50+,51+,52+,53-,54-,55+,56-,58-/m0/s1
HMDB04844	Ganglioside GM3 (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C57H104N2O21/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(64)38(59-44(67)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-75-54-49(71)48(70)51(43(35-62)77-54)78-55-50(72)53(47(69)42(34-61)76-55)80-57(56(73)74)32-40(65)45(58-37(3)63)52(79-57)46(68)41(66)33-60/h28,30,38-43,45-55,60-62,64-66,68-72H,4-27,29,31-36H2,1-3H3,(H,58,63)(H,59,67)(H,73,74)/b30-28+/t38-,39+,40-,41+,42+,43+,45+,46+,47-,48+,49?,50+,51+,52?,53-,54+,55-,57-/m0/s1
HMDB04845	Ganglioside GM3 (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h30,32,40-45,47-57,62-64,66-68,70-74H,4-29,31,33-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b32-30+/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51?,52+,53+,54?,55-,56+,57-,59-/m0/s1
HMDB04846	Ganglioside GM3 (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C61H112N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(71)63-42(43(68)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-79-58-53(75)52(74)55(47(39-66)81-58)82-59-54(76)57(51(73)46(38-65)80-59)84-61(60(77)78)36-44(69)49(62-41(3)67)56(83-61)50(72)45(70)37-64/h32,34,42-47,49-59,64-66,68-70,72-76H,4-31,33,35-40H2,1-3H3,(H,62,67)(H,63,71)(H,77,78)/b34-32+/t42-,43+,44-,45+,46+,47+,49+,50+,51-,52+,53?,54+,55+,56?,57-,58+,59-,61-/m0/s1
HMDB04847	Ganglioside GM3 (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C63H116N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h34,36,44-49,51-61,66-68,70-72,74-78H,4-33,35,37-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/b36-34+/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55?,56+,57+,58?,59-,60+,61-,63-/m0/s1
HMDB58585	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,65,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-64,66-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-/t85?,86-,87-/m1/s1
HMDB57595	CL(16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,29-30,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB48846	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,33,39,42,54H,4-7,9-10,12-15,18,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,42-39-
HMDB07306	DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,37,40H,3-4,6,8-10,15-16,21-36H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t37-/m0/s1
HMDB07307	DG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,37,40H,3-4,6,8-10,15-16,21-23,25,27-36H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t37-/m0/s1
HMDB07304	DG(18:3(9Z,12Z,15Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,37,40H,3-4,6,8-10,12,15,18,20-36H2,1-2H3/b7-5-,13-11-,16-14-,19-17-/t37-/m0/s1
HMDB07305	DG(18:3(9Z,12Z,15Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,37,40H,3-4,6,8-10,12,14-16,21-36H2,1-2H3/b7-5-,13-11-,19-17-,20-18-/t37-/m0/s1
HMDB07302	DG(18:3(9Z,12Z,15Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,35,38H,3-4,6,8-10,12,15,19-34H2,1-2H3/b7-5-,13-11-,16-14-,18-17-/t35-/m0/s1
HMDB07303	DG(18:3(9Z,12Z,15Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,37,40H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3/b7-5-,13-11-,19-17-/t37-/m0/s1
HMDB07300	DG(18:3(9Z,12Z,15Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,34,37H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-/t34-/m0/s1
HMDB07301	DG(18:3(9Z,12Z,15Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38H,3-4,6,8-10,12,14-16,19-34H2,1-2H3/b7-5-,13-11-,18-17-/t35-/m0/s1
HMDB12087	SM(d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C41H85N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h39-40,44H,6-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1
HMDB12085	SM(d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC	InChI=1S/C37H77N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h35-36,40H,6-34H2,1-5H3,(H-,38,41,42,43)/t35-,36+/m0/s1
HMDB12084	SM(d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(O)CCCCCCCCCCC	InChI=1S/C35H75N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h33-36,38-39H,6-32H2,1-5H3/t33-,34+,35?/m0/s1
HMDB12082	LysoSM(d18:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C23H51N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h22-23,26H,5-21,24H2,1-4H3/t22-,23+/m0/s1
HMDB07308	DG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t37-/m0/s1
HMDB07309	DG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,24,26,37,40H,3-4,9-10,15-16,21-23,25,27-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t37-/m0/s1
HMDB56371	DG(18:3n3/0:0/22:6n3)	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,41,44H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-
HMDB56370	DG(18:3n3/0:0/22:5n3)	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,41,44H,3-4,9-10,15-16,20,24-25,27,29-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-
HMDB56373	DG(18:4n3/0:0/20:4n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27,39,42H,3-4,9-10,15-16,20,23,26,28-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-
HMDB56372	DG(18:4n3/0:0/18:4n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,37,40H,3-4,9-10,15-16,21-22,27-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-
HMDB56375	DG(18:4n3/0:0/22:5n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,41,44H,3-4,9-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-
HMDB56374	DG(18:4n3/0:0/20:5n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H62O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-28,30,39,42H,3-4,9-10,15-16,20,23,26,29,31-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-
HMDB56377	DG(20:4n3/0:0/20:4n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,41,44H,3-4,9-10,15-16,21-22,27-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-
HMDB56376	DG(18:4n3/0:0/22:6n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,32,34,41,44H,3-4,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-
HMDB56379	DG(20:4n3/0:0/22:5n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30,43,46H,3-4,9-10,15-16,21,23,26,29,31-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-
HMDB56378	DG(20:4n3/0:0/20:5n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,41,44H,3-4,9-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-
HMDB12555	13'-carboxy-alpha-tocopherol	C[C@H](CCC[C@H](C)CCC[C@@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C)CCCC(C)C(O)=O	InChI=1S/C29H48O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h19-21,30H,8-18H2,1-7H3,(H,31,32)/t19-,20+,21?,29+/m1/s1
HMDB12557	13'-Carboxy-gamma-tocopherol	C[C@H](CCC[C@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2)CCCC(C)C(O)=O	InChI=1S/C28H46O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h18-21,29H,7-17H2,1-6H3,(H,30,31)/t19-,20+,21?,28-/m1/s1
HMDB12556	13'-carboxy-alpha-tocotrienol	C\C(CC\C=C(/C)C(O)=O)=C\CC\C(C)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C29H42O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h11,14-15,30H,8-10,12-13,16-18H2,1-7H3,(H,31,32)/b19-11-,20-14-,21-15+/t29-/m1/s1
HMDB12551	12-oxo-20-dihydroxy-leukotriene B4	OC(O)CCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O	InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18-19,22-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
HMDB12550	12-Oxo-20-carboxy-leukotriene B4	O[C@H](CCCC(O)=O)\C=C/C=C/C=C/C(=O)C\C=C/CCCCC(O)=O	InChI=1S/C20H28O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18,22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
HMDB12553	12-Oxo-20-trihydroxy-leukotriene B4	O[C@H](CCCC(O)=O)\C=C/C=C/C=C/C(=O)C\C=C/CCCCC(O)(O)O	InChI=1S/C20H30O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,18,22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t18-/m0/s1
HMDB12552	12-Oxo-20-hydroxy-leukotriene B4	OCCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O	InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,19,21,23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t19-/m0/s1
HMDB02878	Nitrate	[O-][N+]([O-])=O	InChI=1S/NO3/c2-1(3)4/q-1
HMDB12559	13'-hydroxy-alpha-tocopherol	CC(CO)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C29H50O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h20-22,30-31H,8-19H2,1-7H3/t20-,21+,22?,29+/m0/s1
HMDB12558	13'-carboxy-gamma-tocotrienol	C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C28H40O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h10,13-14,18,29H,7-9,11-12,15-17H2,1-6H3,(H,30,31)/b19-10+,20-13+,21-14+/t28-/m1/s1
HMDB53475	TG(20:2n6/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,33,41,44,59H,4-13,15,20,22,24,29-32,34-40,42-43,45-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,33-27-,44-41-
HMDB53474	TG(20:2n6/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31,33,35,39,41-42,44,57H,4-13,15,20,22,24,29-30,32,34,36-38,40,43,45-56H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-,44-41-
HMDB53477	TG(20:2n6/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31-33,37,40-41,44,46,49,59H,4-13,15,20,22,24,29-30,34-36,38-39,42-43,45,47-48,50-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,44-41-,49-46-
HMDB53476	TG(20:2n6/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31-33,37,40-41,44,59H,4-13,15,20,22,24,29-30,34-36,38-39,42-43,45-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,44-41-
HMDB53471	TG(20:2n6/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,29,32,57H,4-12,14-15,17-19,21,24,26-28,30-31,33-56H2,1-3H3/b16-13-,23-20-,25-22-,32-29-
HMDB53470	TG(20:2n6/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,30,32-33,35,38,41,47,50,60H,4-6,8-9,11-13,15,18,20,22,27,29,31,34,36-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,33-32-,35-30-,41-38-,50-47-
HMDB53473	TG(20:2n6/18:3(6Z,9Z,12Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31,33,35,39,42,57H,4-13,15,20,22,24,29-30,32,34,36-38,40-41,43-56H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-
HMDB53472	TG(20:2n6/18:3(6Z,9Z,12Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-18,21-23,25-27,30,38,41,56H,4-12,15,19-20,24,28-29,31-37,39-40,42-55H2,1-3H3/b16-13-,17-14-,21-18-,25-22-,26-23-,30-27-,41-38-
HMDB53479	TG(20:2n6/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-18,20-22,25-27,29-30,35,37-38,40,55H,4-7,9-10,12,14-15,19,23-24,28,31-34,36,39,41-54H2,1-3H3/b11-8-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-,40-37-
HMDB53478	TG(20:2n6/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-18,20-22,25-27,29-30,37,40,55H,4-7,9-10,12,14-15,19,23-24,28,31-36,38-39,41-54H2,1-3H3/b11-8-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,40-37-
HMDB55136	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-7,10,13-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-
HMDB55137	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-7,10,13-15,22-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB55134	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-7,10,13-15,22-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-
HMDB55135	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-36,40-45,49-50,52-53,62H,4-7,10,13-15,22-24,30-31,37-39,46-48,51,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB55132	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-7,9-10,12-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB55133	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-48,52-57,66H,4-8,10-11,13-15,22-24,31-33,40-42,49-51,58-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-,57-54-
HMDB55130	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,53,56,66H,4-6,8,11,13-15,22-24,31-33,40-42,49-52,54-55,57-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,56-53-
HMDB55131	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,52-53,55-56,66H,4-6,8,11,13-15,22-24,31-33,40-42,49-51,54,57-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-
HMDB55138	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,53-54,56-57,66H,4-6,8,11,13-15,22-24,31-33,40-42,49-52,55,58-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,56-53-,57-54-
HMDB55139	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,52-57,66H,4-6,8,11,13-15,22-24,31-33,40-42,49-51,58-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-,57-54-
HMDB54849	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,39,58H,4-7,10,13-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-
HMDB54848	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,39-40,42-43,48,51,62H,4-8,10-11,13-15,22-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-
HMDB54845	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,52,54-55,57,66H,4-6,8-9,11-15,22-24,31-33,40-42,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,57-54-
HMDB54844	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,54,57,66H,4-6,8-9,11-15,22-24,31-33,40-42,49-53,55-56,58-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,57-54-
HMDB54847	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,39-40,42-43,62H,4-8,10-11,13-15,22-24,30-31,37-38,41,44-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-
HMDB54846	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,50,53,63H,4-15,18,21-24,27,30-32,37-39,42,45-49,51-52,54-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,53-50-
HMDB54841	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-45,50,53,62H,4-8,10-11,13-15,22-24,30-31,37-39,46-49,51-52,54-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,53-50-
HMDB54840	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-41,43-44,50,53,62H,4-8,10-11,13-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-
HMDB54843	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-8,10-11,13-15,22-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB54842	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-8,10-11,13-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-
HMDB00659	Deoxycholic acid disulfate	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O	InChI=1S/C24H40O10S2/c1-14(4-9-22(25)26)18-7-8-19-17-6-5-15-12-16(33-35(27,28)29)10-11-23(15,2)20(17)13-21(24(18,19)3)34-36(30,31)32/h14-21H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
HMDB00658	CE(16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC1CC[C@@]2(C)C(=CCC3C4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1	InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36?,37?,38-,39?,40?,42+,43-/m1/s1
HMDB38369	Procyanidin B8	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@H]1C1=C(O)C2=C(C=C1O)[C@@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28-,29+,30+/m0/s1
HMDB00651	Decanoylcarnitine	CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
HMDB00650	D-Alpha-aminobutyric acid	CC[C@@H](N)C(O)=O	InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
HMDB00653	Cholesterol sulfate	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O	InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB00652	Chondroitin 4-sulfate	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@H](OS([O-])(=O)=O)[C@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H](CO)[C@H](OS([O-])(=O)=O)[C@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@H](CO)[C@H](OS([O-])(=O)=O)[C@H](O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@H](CO)[C@H](OS([O-])(=O)=O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)C([O-])=O)[C@H]8NC(C)=O)[C@H](O)[C@H]7O)C([O-])=O)[C@H]6NC(C)=O)[C@H](O)[C@H]5O)C([O-])=O)[C@H]4NC(C)=O)[C@H](O)[C@H]3O)C([O-])=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C([O-])=O	InChI=1S/C70H107N5O71S5/c1-11(81)71-21-42(37(142-147(108,109)110)16(6-76)123-61(21)107)128-67-33(93)28(88)47(52(138-67)57(99)100)133-63-23(73-13(3)83)44(39(18(8-78)125-63)144-149(114,115)116)130-69-35(95)30(90)49(54(140-69)59(103)104)135-65-25(75-15(5)85)46(41(20(10-80)127-65)146-151(120,121)122)132-70-36(96)31(91)50(55(141-70)60(105)106)136-64-24(74-14(4)84)45(40(19(9-79)126-64)145-150(117,118)119)131-68-34(94)29(89)48(53(139-68)58(101)102)134-62-22(72-12(2)82)43(38(17(7-77)124-62)143-148(111,112)113)129-66-32(92)26(86)27(87)51(137-66)56(97)98/h16-55,61-70,76-80,86-96,107H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)/p-10/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-/m1/s1
HMDB00655	Cholestane-3,7,12,25-tetrol	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])C(O)CC2CC(O)CC[C@]12C	InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1
HMDB00657	Copper	[Cu++]	InChI=1S/Cu/q+2
HMDB00656	Cysteineglutathione disulfide	N[C@@H](CCC(=O)N[C@@H](CSSCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O	InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7?,8-/m0/s1
HMDB06552	Aflatoxin B1	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C3C=COC3OC2=C1	InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3
HMDB45553	TG(20:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-37-,48-45-
HMDB06555	dIMP	O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2=C1NC=NC2=O	InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
HMDB06556	L-4-Hydroxyglutamate semialdehyde	N[C@@H](C[C@@H](O)C=O)C(O)=O	InChI=1S/C5H9NO4/c6-4(5(9)10)1-3(8)2-7/h2-4,8H,1,6H2,(H,9,10)/t3-,4+/m1/s1
HMDB06557	ADP-glucose	NC1=C2N=CN([C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1	InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1
HMDB06558	2,3-Epoxyaflatoxin B1	[H][C@]12O[C@@H]3O[C@@H]3[C@@]1([H])C1=C3OC(=O)C4=C(CCC4=O)C3=C(OC)C=C1O2	InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1
HMDB06559	Heptaglutamyl folic acid	N[C@@H](CCC(O)=O)C(=O)OC(=O)C(N(C(=O)[C@@H](N)CCC(O)=O)C(=O)C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)NC3=O)C=C1)(C(=O)[C@@H](N)CCC(O)=O)C(C(=O)[C@@H](N)CCC(O)=O)(C(=O)[C@@H](N)CCC(O)=O)C(C(O)=O)(C(=O)[C@@H](N)CCC(O)=O)C(=O)[C@@H](N)CCC(O)=O	InChI=1S/C54H68N14O27/c55-24(5-12-31(69)70)39(83)52(49(92)93,40(84)25(56)6-13-32(71)72)53(41(85)26(57)7-14-33(73)74,42(86)27(58)8-15-34(75)76)54(43(87)28(59)9-16-35(77)78,50(94)95-48(91)30(61)11-18-37(81)82)68(47(90)29(60)10-17-36(79)80)46(89)21-1-3-22(4-2-21)63-19-23-20-64-44-38(65-23)45(88)67-51(62)66-44/h1-4,20,24-30,63H,5-19,55-61H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,92,93)(H3,62,64,66,67,88)/t24-,25-,26-,27-,28-,29-,30-,54?/m0/s1
HMDB09267	PE(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,43H,3-11,13,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1
HMDB09266	PE(20:1(11Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,43H,3-11,13,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,26-24-/t43-/m1/s1
HMDB09265	PE(20:1(11Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,24,26,30,32,43H,3-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-,26-24-,32-30-/t43-/m1/s1
HMDB09264	PE(20:1(11Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,43H,3-11,13,15-16,21-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-/t43-/m1/s1
HMDB09263	PE(20:1(11Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43H,3-16,21-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-/t43-/m1/s1
HMDB09262	PE(20:1(11Z)/20:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1
HMDB09261	PE(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,26,28,41H,3-5,7,9-11,13,15-16,20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,28-26-/t41-/m1/s1
HMDB09260	PE(20:1(11Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,41H,3-5,7,9-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-/t41-/m1/s1
HMDB01010	Nicotine imine	C[N+]1=CCCC1C1=CC=CN=C1	InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1
HMDB01011	Methacrylyl-CoA	CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1
HMDB54263	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB01013	Cotinineglucuronide	CN1C(CCC1=O)C1=C[N+](=CC=C1)C1OC(C(O)C(O)C1O)C([O-])=O	InChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3
HMDB01014	4-Imidazolone-5-propionic acid	OC(=O)CCC1N=CNC1=O	InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)
HMDB01015	N-Formyl-L-methionine	CSCC[C@@H](NC=O)C(O)=O	InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1
HMDB09269	PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,43H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1
HMDB09268	PE(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,43H,3-5,7,9-11,13,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,20-18-,26-24-/t43-/m1/s1
HMDB40178	2,6-Di-tert-butyl-1,4-benzenediol	CC(C)(C)C1=CC(O)=CC(=C1O)C(C)(C)C	InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3
HMDB40179	2,6-Di-tert-butyl-4-ethylphenol	CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C	InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3
HMDB04025	Pregnanediol	[H][C@@]12CC[C@H](CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)(O)CC[C@]12C	InChI=1S/C21H36O2/c1-4-14-6-8-17-16-7-5-15-13-21(22,23)12-11-20(15,3)18(16)9-10-19(14,17)2/h14-18,22-23H,4-13H2,1-3H3/t14-,15?,16-,17-,18-,19+,20-/m0/s1
HMDB57408	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57409	CL(16:1(9Z)/16:0/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C73H138O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,67-69,74H,5-24,27-28,31-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,30-26-/t68-,69-/m1/s1
HMDB40170	(Methylthio)acetone	CSCC(C)=O	InChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3
HMDB40171	Heptyl 2-methylpropanoate	CCCCCCCOC(=O)C(C)C	InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3
HMDB40172	Didodecyl thiobispropanoate	CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC	InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
HMDB40173	Pentanenitrile	CCCCC#N	InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
HMDB40174	4-Ethyl-1,2-benzenediol	CCC1=CC=C(O)C(O)=C1	InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
HMDB40175	4-Ethyl-2-methoxyphenol	CCC1=CC=C(O)C(OC)=C1	InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
HMDB40176	4-Ethyl-1,2-dimethoxybenzene	CCC1=CC=C(OC)C(OC)=C1	InChI=1S/C10H14O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h5-7H,4H2,1-3H3
HMDB04029	11-Dehydrocorticosterone	[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16?,19+,20-,21-/m0/s1
HMDB48369	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,34,40,43,52H,4-6,8-9,11-14,17,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-
HMDB48368	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,14-19,23-24,26-27,29,32,38,41,50H,4-6,8-9,11-13,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,32-29-,41-38-
HMDB48365	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB48364	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38,40,43,56H,4-6,9,12-14,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB48367	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-
HMDB48366	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB48361	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,36,54H,4-6,9,12-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-
HMDB48360	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,36-37,39-40,45,48,58H,4-7,9-10,12-14,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB48363	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38,56H,4-6,9,12-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB48362	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,35-36,38,54H,4-6,9,12-14,21-23,27,31-32,34,37,39-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-
HMDB51727	TG(22:1(13Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,45,48,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB51726	TG(22:1(13Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-
HMDB51725	TG(22:1(13Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,39-40,43,60H,4-8,10-11,13-16,19,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-
HMDB51724	TG(22:1(13Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,39,60H,4-8,10-11,13-16,19,22-24,30-33,35,37-38,40-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-
HMDB51723	TG(22:1(13Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,40-41,43-44,50,53,64H,4-15,17,20,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB51722	TG(22:1(13Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,40-41,43-44,64H,4-15,17,20,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-
HMDB51721	TG(22:1(13Z)/20:3n6/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,40,43,64H,4-15,17,20,22-24,31-39,41-42,44-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB51720	TG(22:1(13Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,38-39,41,45,48,62H,4-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB51729	TG(22:1(13Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,40-41,43-44,50,53,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB51728	TG(22:1(13Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,40-41,43-44,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-
HMDB05779	PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,35,38,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB48588	TG(16:1(9Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H96O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-29-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h15,18,20,23,49H,4-14,16-17,19,21-22,24-48H2,1-3H3/b18-15-,23-20-
HMDB05771	Rigin	NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	InChI=1S/C18H32N8O6/c19-9-14(28)24-10(5-6-13(20)27)16(30)26-8-2-4-12(26)15(29)25-11(17(31)32)3-1-7-23-18(21)22/h10-12H,1-9,19H2,(H2,20,27)(H,24,28)(H,25,29)(H,31,32)(H4,21,22,23)/t10-,11-,12-/m0/s1
HMDB05770	Tuftsin	C[C@@H](O)[C@H](N)C(=O)NC(CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13?,14+,15+,16+/m1/s1
HMDB05773	Endomorphin-1	N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
HMDB05772	Postin	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	InChI=1S/C22H40N8O5/c23-10-2-1-6-14(18(31)29-16(21(34)35)8-4-12-27-22(24)25)28-19(32)17-9-5-13-30(17)20(33)15-7-3-11-26-15/h14-17,26H,1-13,23H2,(H,28,32)(H,29,31)(H,34,35)(H4,24,25,27)/t14-,15-,16-,17-/m0/s1
HMDB05775	Tetragastrin	CSCC[C@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1
HMDB05774	Endomorphin-2	N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
HMDB05777	Morphiceptin	N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O	InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
HMDB05776	Kentsin	C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O	InChI=1S/C21H40N8O6/c1-12(30)16(23)19(33)29-11-5-8-15(29)18(32)27-13(7-4-10-26-21(24)25)17(31)28-14(20(34)35)6-2-3-9-22/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13+,14+,15+,16+/m1/s1
HMDB33257	Myricolal	CC1(C)CCC2(CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1)C=O	InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,19-21,23-24,32H,8-9,11-18H2,1-7H3
HMDB33256	(20S,24E)-20,26-Dihydroxy-24-dammaren-3-one	C\C(CO)=C\CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC21C	InChI=1S/C30H50O3/c1-20(19-31)9-8-15-30(7,33)22-12-17-28(5)21(22)10-11-24-27(4)16-14-25(32)26(2,3)23(27)13-18-29(24,28)6/h9,21-24,31,33H,8,10-19H2,1-7H3/b20-9-
HMDB33255	Muscomosin	COC1=CC2=C(C=C1O)C1(C2)COC2=CC(O)=CC(O)=C2C1=O	InChI=1S/C17H14O6/c1-22-13-2-8-6-17(10(8)5-11(13)19)7-23-14-4-9(18)3-12(20)15(14)16(17)21/h2-5,18-20H,6-7H2,1H3
HMDB33254	Comosin	COC1=C(O)C=C(C=C1)C1(COC(C)=O)COC2=CC(O)=CC(O)=C2C1=O	InChI=1S/C19H18O8/c1-10(20)26-8-19(11-3-4-15(25-2)13(22)5-11)9-27-16-7-12(21)6-14(23)17(16)18(19)24/h3-7,21-23H,8-9H2,1-2H3
HMDB33253	Curcumenone	CC(=O)CCC1C2CC(=C(C)C)C(=O)CC12C	InChI=1S/C15H22O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h12-13H,5-8H2,1-4H3
HMDB33252	Curcumanolide A	CC1CCC(C(C)=C)C11CC(=C(C)C)C(=O)O1	InChI=1S/C15H22O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h11,13H,3,6-8H2,1-2,4-5H3
HMDB33251	Phenylmethyl benzeneacetate	O=C(CC1=CC=CC=C1)OCC1=CC=CC=C1	InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2
HMDB33250	Grevilline C	OC1=CC=C(C=C1O)C1=C(O)C(=O)O\C(=C\C2=CC(O)=C(O)C=C2)C1=O	InChI=1S/C18H12O8/c19-10-3-1-8(5-12(10)21)6-14-16(23)15(17(24)18(25)26-14)9-2-4-11(20)13(22)7-9/h1-7,19-22,24H/b14-6+
HMDB46635	TG(22:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,34,59H,4-19,22,25-28,30-33,35-58H2,1-3H3/b23-20-,24-21-,34-29-
HMDB46634	TG(22:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,32,57H,4-19,22,25-27,29-31,33-56H2,1-3H3/b23-20-,24-21-,32-28-
HMDB46637	TG(22:0/18:2(9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,35,61H,4-20,22-23,25,27-28,31-34,36-60H2,1-3H3/b24-21-,29-26-,35-30-
HMDB46636	TG(22:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,33-34,59H,4-19,21-22,24-26,28,30-32,35-58H2,1-3H3/b23-20-,33-27-,34-29-
HMDB46631	TG(22:0/18:2(9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,37,63H,4-20,22-23,25-29,31-36,38-62H2,1-3H3/b24-21-,37-30-
HMDB46630	TG(22:0/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,65H,4-24,26-27,29-64H2,1-3H3/b28-25-
HMDB33259	Cubebinone	COC1=CC(CC2C(CC3=CC(OC)=C(OC)C(OC)=C3)COC2=O)=CC2=C1OCO2	InChI=1S/C23H26O8/c1-25-17-7-13(8-18(26-2)21(17)28-4)5-15-11-29-23(24)16(15)6-14-9-19(27-3)22-20(10-14)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3
HMDB33258	Isoyatein	COC1=CC(CC2COC(=O)C2CC2=CC=C3OCOC3=C2)=CC(OC)=C1OC	InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)6-15-11-27-22(23)16(15)7-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3
HMDB02091	Isovalerylglucuronide	CC(C)CC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C11H18O8/c1-4(2)3-5(12)18-11-8(15)6(13)7(14)9(19-11)10(16)17/h4,6-9,11,13-15H,3H2,1-2H3,(H,16,17)/t6-,7-,8+,9-,11+/m0/s1
HMDB02092	Itaconic acid	OC(=O)CC(=C)C(O)=O	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
HMDB02095	Malonylcarnitine	C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CC(O)=O	InChI=1S/C10H17NO6/c1-11(2,3)6-7(4-8(12)13)17-10(16)5-9(14)15/h7H,4-6H2,1-3H3,(H-,12,13,14,15)/t7-/m0/s1
HMDB02094	3-Fucosyllactose	C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C18H32O15/c1-4-7(21)9(23)12(26)17(29-4)33-15-8(22)5(2-19)31-18(13(15)27)32-14-6(3-20)30-16(28)11(25)10(14)24/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14+,15-,16?,17-,18-/m0/s1
HMDB02097	4-Ethylbenzoic acid	CCC1=CC=C(C=C1)C(O)=O	InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
HMDB02096	3-Indolebutyric acid	OC(=O)CCCC1=CNC2=CC=CC=C12	InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
HMDB02099	6-Methyladenine	CNC1=NC=NC2=C1NC=N2	InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
HMDB02098	2-Fucosyllactose	C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1
HMDB56015	DG(16:0/0:0/16:1n7)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,33,36H,3-16,18,20-32H2,1-2H3/b19-17+
HMDB46183	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,40,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,40-37-
HMDB46182	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,38-35-
HMDB46181	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,39,45,48,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,29-26-,39-35-,48-45-
HMDB46180	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-
HMDB46187	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-
HMDB46186	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,32,35,41,44,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,44-41-
HMDB46185	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,39,42,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,42-39-
HMDB46184	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,39,42,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,42-39-
HMDB46189	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,39,45,48,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-35-,48-45-
HMDB46188	TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-
HMDB49182	TG(18:1(11Z)/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,64H,4-20,22-23,26-27,29-63H2,1-3H3/b24-21-,28-25-
HMDB49183	TG(18:1(11Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,34,59H,4-19,22,25-28,30-33,35-58H2,1-3H3/b23-20-,24-21-,34-29-
HMDB49180	TG(18:1(11Z)/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,35,38,44,47,60H,4-20,22-23,25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b24-21-,29-26-,38-35-,47-44-
HMDB49181	TG(18:1(11Z)/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-
HMDB49186	TG(18:1(11Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,38,60H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,29-26-,38-35-
HMDB49187	TG(18:1(11Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,38,44,47,60H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,29-26-,38-35-,47-44-
HMDB49184	TG(18:1(11Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,32,38,41,58H,4-16,18-19,22-23,25,27-31,33-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,32-26-,41-38-
HMDB49185	TG(18:1(11Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,59H,4-13,15-16,18-20,22,25,27-58H2,1-3H3/b17-14-,24-21-,26-23-
HMDB49188	TG(18:1(11Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,62H,4-15,17-18,20,22-23,26-27,29-61H2,1-3H3/b19-16-,24-21-,28-25-
HMDB49189	TG(18:1(11Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,40,43,62H,4-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,43-40-
HMDB34596	Hebevinoside VI	CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C41H68O12/c1-20(2)10-9-11-21(3)29-26(51-37-34(49)32(47)31(46)27(18-42)52-37)17-41(8)35-24(43)16-23-22(39(35,6)14-15-40(29,41)7)12-13-28(38(23,4)5)53-36-33(48)30(45)25(44)19-50-36/h10,16,21-22,24-37,42-49H,9,11-15,17-19H2,1-8H3
HMDB54159	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,38,44,47,60H,4-8,10-11,13-16,19,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB54158	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB47588	TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,46,49,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-,49-46-
HMDB47589	TG(24:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,40,48,51,66H,4-8,10-11,13-17,19-20,22-24,26,29-39,41-47,49-50,52-65H2,1-3H3/b12-9-,21-18-,28-25-,40-27-,51-48-
HMDB47584	TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,35,42,45,60H,4-8,10-11,13-17,19,22,24-26,28-34,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,23-20-,35-27-,45-42-
HMDB47585	TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,34-35,42,45,60H,4-8,10-11,13-17,19-20,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,34-26-,35-27-,45-42-
HMDB47586	TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,44,47,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,47-44-
HMDB47587	TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36-37,39,44-45,47-48,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB47580	TG(24:0/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-60H2,1-3H3/b12-9-,21-18-,35-27-
HMDB47581	TG(24:0/18:4(6Z,9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,40,48,51,66H,4-8,10-11,13-17,19-20,22-26,28-39,41-47,49-50,52-65H2,1-3H3/b12-9-,21-18-,40-27-,51-48-
HMDB47582	TG(24:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,38,41,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-37,39-40,42-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-,41-38-
HMDB47583	TG(24:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,40,43,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-,43-40-
HMDB03320	Indole-3-carboxylic acid	OC(=O)C1=CNC2=CC=CC=C12	InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
HMDB07816	DG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,47,50H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-46H2,1-2H3/b8-6-,14-12-,20-18-,28-25-,34-32-/t47-/m0/s1
HMDB39168	2-O-p-Coumaroyl-1,6-digalloyl-beta-D-glucopyranoside	OC(COC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O.OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O	InChI=1S/2C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(36)43-26-24(39)25(20(35)11-42-27(40)13-7-16(31)22(37)17(32)8-13)44-29(26)45-28(41)14-9-18(33)23(38)19(34)10-14;30-15-4-1-12(2-5-15)3-6-21(35)44-26-25(39)24(38)20(11-42-27(40)13-7-16(31)22(36)17(32)8-13)43-29(26)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-35,37-39H,11H2;1-10,20,24-26,29-34,36-39H,11H2/b2*6-3+
HMDB03324	Biotripyrrin-b	CC1=C(CCC(O)=O)\C(NC1=O)=C/C1=C(CCC(O)=O)C(C)=C(N1)\C=C1\NC(=O)C(C=C)=C1C	InChI=1S/C25H27N3O6/c1-5-15-12(2)19(27-25(15)34)10-18-13(3)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)24(33)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,34)(H,28,33)(H,29,30)(H,31,32)/b19-10+,21-11+
HMDB03325	Bilirubin diglucuronide	CC1=C(C=C)\C(NC1=O)=C/C1=C(C)C(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(CC2=C(CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N1	InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13+,27-14+/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1
HMDB39648	1,2,3,5,6,8-Hexathionane	C1SCSSSCSS1	InChI=1S/C3H6S6/c1-4-2-7-9-8-3-6-5-1/h1-3H2
HMDB03327	Mesohydroxy uroporphyrin III	OC(C(O)=O)C1=C2NC(\C=C3/N=C(/C=C4\N=C(\C=C5/N\C(=C/2)C(CCC(O)=O)=C5CC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O	InChI=1S/C40H38N4O17/c45-31(46)5-1-16-20(9-35(53)54)27-13-26-19(4-8-34(51)52)38(39(59)40(60)61)30(44-26)15-25-18(3-7-33(49)50)22(11-37(57)58)29(43-25)14-28-21(10-36(55)56)17(2-6-32(47)48)24(42-28)12-23(16)41-27/h12-15,39,43-44,59H,1-11H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,60,61)/b23-12-,24-12-,25-15-,26-13-,27-13-,28-14-,29-14-,30-15-
HMDB32614	Piperonyl acetate	CC(=O)OCC1=CC2=C(OCO2)C=C1	InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3
HMDB39647	Ginsenoside La	CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)O1	InChI=1S/C42H70O13/c1-20(2)15-21-17-42(8,55-37-35(50)33(48)31(46)25(19-44)53-37)22-9-13-41(7)29(22)23(51-21)16-27-39(5)12-11-28(38(3,4)26(39)10-14-40(27,41)6)54-36-34(49)32(47)30(45)24(18-43)52-36/h15,21-37,43-50H,9-14,16-19H2,1-8H3
HMDB39644	Heliannuol A	CC1CCC(O)C(C)(C)OC2=C1C=C(O)C(C)=C2	InChI=1S/C15H22O3/c1-9-5-6-14(17)15(3,4)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3
HMDB32617	Methyl phenylacetate	COC(=O)CC1=CC=CC=C1	InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
HMDB32610	4-Methylbiphenyl	CC1=CC=C(C=C1)C1=CC=CC=C1	InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
HMDB39643	11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid	CC(CCC(O)=O)C1=CC=C(C)C=C1	InChI=1S/C12H16O2/c1-9-3-6-11(7-4-9)10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14)
HMDB39640	Ustiloxin A	CCC1(C)OC2=CC(C(O)C(NC)C(=O)NC(C(C)C)C(=O)NC1C(=O)NCC(O)=O)=C(C=C2O)S(=O)CC(O)CC(N)C(O)=O	InChI=1S/C28H43N5O12S/c1-6-28(4)23(26(41)31-10-19(36)37)33-24(39)20(12(2)3)32-25(40)21(30-5)22(38)14-8-17(45-28)16(35)9-18(14)46(44)11-13(34)7-15(29)27(42)43/h8-9,12-13,15,20-23,30,34-35,38H,6-7,10-11,29H2,1-5H3,(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,42,43)
HMDB32613	3,4-Methylenedioxybenzoic acid	OC(=O)C1=CC2=C(OCO2)C=C1	InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
HMDB31093	9,12,15-Octadecatrienoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H65O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37H,3-4,9-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-
HMDB31092	Glycerol 1,2-dialkanoates; Glycerol 1,2-di-(9Z,12Z-octadecadienoate), 3-Phosphate	CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b13-11+,14-12+,19-17+,20-18+
HMDB31091	3-Methyl-5-pentyl-2-furannonanoic acid	CCCCCC1=CC(C)=C(CCCCCCCCC(O)=O)O1	InChI=1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
HMDB31090	Glycerol triheneicosanoate	CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC	InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
HMDB31097	5-Octadecynoic acid	CCCCCCCCCCCCC#CCCCC(O)=O	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-12,15-17H2,1H3,(H,19,20)
HMDB31096	Neotussilagolactone	CC\C(C)=C\C(=O)OC1C=C(C(C)C)C2C(COC(=O)\C2=C/C)C1=C	InChI=1S/C21H28O4/c1-7-13(5)9-19(22)25-18-10-16(12(3)4)20-15(8-2)21(23)24-11-17(20)14(18)6/h8-10,12,17-18,20H,6-7,11H2,1-5H3/b13-9+,15-8-
HMDB31095	Gibberellin A108	CC12CCCC3(OC1=O)C2C(C(O)=O)C12CC4CC(O)C31C2C4=C	InChI=1S/C19H22O5/c1-8-9-6-10(20)19-12(8)17(19,7-9)11(14(21)22)13-16(2)4-3-5-18(13,19)24-15(16)23/h9-13,20H,1,3-7H2,2H3,(H,21,22)
HMDB31094	Glycerol tributanoate	CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC	InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
HMDB57181	CL(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35-37,40-42,44,52,56,77-79,84H,5-20,22-24,26-32,34,38-39,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,40-35-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB35530	10,12-Dotriacontanedione	CCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C32H62O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-32(34)30-31(33)28-26-24-22-10-8-6-4-2/h3-30H2,1-2H3
HMDB31099	(all-Z)-7,10,13-Docosatrienoic acid	CCCCCCCC\C=C\C\C=C/C\C=C/CCCCCC(O)=O	InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,12-13,15-16H,2-8,11,14,17-21H2,1H3,(H,23,24)/b10-9+,13-12-,16-15-
HMDB31098	(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid	CC\C=C/C=C/C=C\C=C\CCCCC(=O)CCC(O)=O	InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3-,6-5+,8-7-,10-9+
HMDB57185	CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,35-37,39-40,42-43,46,50,58,62,79-81,86H,5-20,22-24,26-32,34,38,41,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57184	CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,35,37,39-40,42,46,50,58,62,79-81,86H,5-20,22-24,26-27,29-31,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57187	CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB35531	8,10-Hentriacontanedione	CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC	InChI=1S/C31H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-31(33)29-30(32)27-25-23-8-6-4-2/h3-29H2,1-2H3
HMDB37554	()-Rollipyrrole	CCC1=C(C)\C(NC1=O)=C\C1(NC(=O)C(C)=C1C=C)OC	InChI=1S/C16H20N2O3/c1-6-11-9(3)13(17-15(11)20)8-16(21-5)12(7-2)10(4)14(19)18-16/h7-8H,2,6H2,1,3-5H3,(H,17,20)(H,18,19)/b13-8-
HMDB37555	Sandoricin	COC(=O)CC1C(C)(C)C(CC2OC34C(O)C(=O)OC(C5=COC=C5)C3(C)C(CC(C4=C)C12C)OC(C)=O)OC(C)=O	InChI=1S/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3
HMDB37556	6-Hydroxysandoricin	COC(=O)C(O)C1C(C)(C)C(CC2OC34C(O)C(=O)OC(C5=COC=C5)C3(C)C(CC(C4=C)C12C)OC(C)=O)OC(C)=O	InChI=1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3
HMDB37557	1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid	CC12CCC(CC1C(=C)C=CC2O)C(=C)C(O)=O	InChI=1S/C15H20O3/c1-9-4-5-13(16)15(3)7-6-11(8-12(9)15)10(2)14(17)18/h4-5,11-13,16H,1-2,6-8H2,3H3,(H,17,18)
HMDB37550	2,7,8-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one; (R)-form, N-Hydroxy, 7,8-di-Me ether, 2-O-b-D-glucopyranoside	COC1=CC=C2N(O)C(=O)C(OC3OC(CO)C(O)C(O)C3O)OC2=C1OC	InChI=1S/C16H21NO11/c1-24-7-4-3-6-12(13(7)25-2)27-16(14(22)17(6)23)28-15-11(21)10(20)9(19)8(5-18)26-15/h3-4,8-11,15-16,18-21,23H,5H2,1-2H3
HMDB37551	1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate	OCC1OC(OCC2OC3C(OC(=O)N3C3=CC=CC=C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C19H25NO12/c21-5-9-11(23)13(25)15(27)18(31-9)29-6-10-12(24)14(26)16-17(30-10)20(19(28)32-16)7-3-1-2-4-8(7)22/h1-4,9-18,21-27H,5-6H2
HMDB37552	4-Hydroxy-3-(2-hydroxyethyl)acetophenone; 4-O-b-D-Glucopyranoside	CC(=O)C1=CC(CCO)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C16H22O8/c1-8(19)9-2-3-11(10(6-9)4-5-17)23-16-15(22)14(21)13(20)12(7-18)24-16/h2-3,6,12-18,20-22H,4-5,7H2,1H3
HMDB37553	S,S'-Ethylidene dithioacetate	CC(SC(C)=O)SC(C)=O	InChI=1S/C6H10O2S2/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
HMDB35533	11,13-Triacontanedione	CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC	InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-30(32)28-29(31)26-24-22-20-12-10-8-6-4-2/h3-28H2,1-2H3
HMDB37558	3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid	CC1=C2CC(CCC2(C)C=CC1=O)C(=C)C(O)=O	InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18)
HMDB37559	Cadabicilone	CC1C2CCC3(C)CCC(=O)C(C)C3C2OC1=O	InChI=1S/C15H22O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8-10,12-13H,4-7H2,1-3H3
HMDB40916	2-(4-Methyl-3-pentenyl)anthraquinone	CC(C)=CCCC1=CC2=C(C=C1)C(=O)C1=C(C=CC=C1)C2=O	InChI=1S/C20H18O2/c1-13(2)6-5-7-14-10-11-17-18(12-14)20(22)16-9-4-3-8-15(16)19(17)21/h3-4,6,8-12H,5,7H2,1-2H3
HMDB40917	Brassica napus non-fluorescent chlorophyll catabolite 3	CC1=C(C=C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)C1C(C(O)=O)C(=O)C2=C1NC(CC1=C(CCO)C(C)=C(N1)C=O)=C2C	InChI=1S/C34H38N4O8/c1-6-18-14(2)22(38-33(18)44)11-21-16(4)20(7-8-26(41)42)30(36-21)28-29(34(45)46)32(43)27-17(5)23(37-31(27)28)12-24-19(9-10-39)15(3)25(13-40)35-24/h6,13,22,28-29,35-37,39H,1,7-12H2,2-5H3,(H,38,44)(H,41,42)(H,45,46)
HMDB40914	Mytilus Small cardioactive peptide	CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O	InChI=1S/C56H85N15O12/c1-30(2)25-38(46(59)74)65-48(76)37(15-10-22-62-56(60)61)64-52(80)44-17-12-24-71(44)55(83)42(28-35-18-20-36(72)21-19-35)69-47(75)33(6)63-49(77)39(26-31(3)4)66-50(78)40(27-34-13-8-7-9-14-34)67-51(79)41(29-45(58)73)68-53(81)43-16-11-23-70(43)54(82)32(5)57/h7-9,13-14,18-21,30-33,37-44,72H,10-12,15-17,22-29,57H2,1-6H3,(H2,58,73)(H2,59,74)(H,63,77)(H,64,80)(H,65,76)(H,66,78)(H,67,79)(H,68,81)(H,69,75)(H4,60,61,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
HMDB40915	2-(4-Methyl-1,3-pentadienyl)anthraquinone	CC(C)=C\C=C/C1=CC2=C(C=C1)C(=O)C1=C(C=CC=C1)C2=O	InChI=1S/C20H16O2/c1-13(2)6-5-7-14-10-11-17-18(12-14)20(22)16-9-4-3-8-15(16)19(17)21/h3-12H,1-2H3/b7-5-
HMDB40912	N-[(5-Hydroxy-2-pyridinyl)methyl]adenosine	OCC1OC(C(O)C1O)N1C=NC2=C1N=CN=C2NCC1=NC=C(O)C=C1	InChI=1S/C16H18N6O5/c23-5-10-12(25)13(26)16(27-10)22-7-21-11-14(19-6-20-15(11)22)18-3-8-1-2-9(24)4-17-8/h1-2,4,6-7,10,12-13,16,23-26H,3,5H2,(H,18,19,20)
HMDB10537	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-6,9,12-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m1/s1
HMDB40910	Heteroflavanone A	COC1=CC2=C(C(=O)CC(O2)C2=C(OC)C=C(OC)C=C2OC)C(O)=C1	InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3
HMDB40911	2-Methoxy-3,5-dimethylpyrimidine	COC1=NC=C(C)N=C1C	InChI=1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3
HMDB40918	Corepoxylone	CCCCCCCCCCCCC1OC1CCC1OC1CCCCC(=O)CCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H60O5/c1-3-4-5-6-7-8-9-10-14-17-23-31-33(39-31)25-26-34-32(40-34)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)38-35(29)37/h27-28,31-34H,3-26H2,1-2H3
HMDB40919	Gigantetrocinone	CCCCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O1	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32(38)22-23-33(39)34-24-21-29(41-34)18-15-14-16-19-30-26-28(25-27(2)36)35(40)42-30/h28-34,37-39H,3-26H2,1-2H3
HMDB01849	Propranolol	CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
HMDB01848	Imipramine	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12	InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
HMDB01843	N-Acryloylglycine	OC(=O)CNC(=O)C=C	InChI=1S/C5H7NO3/c1-2-4(7)6-3-5(8)9/h2H,1,3H2,(H,6,7)(H,8,9)
HMDB01842	Guanidine	NC(N)=N	InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
HMDB01847	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
HMDB01846	Tetrahydrofolic acid	OC(=O)CCC(NC(=O)C1=CC=C(NCC2CNC3=C(N2)C(=O)NC(=N)N3)C=C1)C(O)=O	InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)
HMDB01844	Methylsuccinic acid	CC(CC(O)=O)C(O)=O	InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
HMDB56749	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,41-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,28-30,32,35,38-40,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,45-41-,46-42-,57-53-,58-54-/t77?,78-,79-/m1/s1
HMDB08493	PC(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,26,28,40H,6-7,9,11-12,17-18,21,24-25,27,29-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,28-26-/t40-/m1/s1
HMDB08492	PC(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,26,28,40H,6-7,9,11-13,15,17-18,21,24-25,27,29-39H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,28-26-/t40-/m1/s1
HMDB08491	PC(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,41-38-
HMDB08490	PC(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,38,41,45H,6-7,9,11-13,15,18,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-,41-38-
HMDB08497	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,30,32,44H,6-7,9,11-13,15,17-19,21,23-24,27-29,31,33-43H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,32-30-/t44-/m1/s1
HMDB08496	PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23,25,28,30,42H,6-7,9,11-13,15,18,22,24,26-27,29,31-41H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,25-23-,30-28-/t42-/m1/s1
HMDB08495	PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,28,30,42H,6-7,9,11-13,15,17-19,22,24,26-27,29,31-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,30-28-/t42-/m1/s1
HMDB08494	PC(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C43H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,41H,6-7,9,11-13,15,17-19,22,25-26,28,30-40H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-
HMDB08499	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,30,32,44H,6-7,9,11-13,15,17-19,23,27-29,31,33-43H2,1-5H3/b10-8-,16-14-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB08498	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,30,32,44H,6-7,9,11-13,15,18,21,23-24,27-29,31,33-43H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,32-30-/t44-/m1/s1
HMDB56746	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,38,42,50,54,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB53511	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14-19,23-28,34,37,43,46,58H,4-13,20-22,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,37-34-,46-43-
HMDB50594	TG(20:1(11Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,35,61H,4-15,17-18,20,22-23,27,31-34,36-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-30-
HMDB56740	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25,33,35,38,42,50,54,73-75,80H,5-20,22-24,26-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB56741	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,44,52,56,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB38111	Kievitone hydrate	CC(C)(O)CCC1=C2OCC(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1	InChI=1S/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3
HMDB38110	Sativanone	COC1=CC(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1=O	InChI=1S/C17H16O5/c1-20-11-4-6-12(15(8-11)21-2)14-9-22-16-7-10(18)3-5-13(16)17(14)19/h3-8,14,18H,9H2,1-2H3
HMDB38113	5-Deoxykievitone hydrate	CC(C)(O)CCC1=C2OCC(C(=O)C2=CC=C1O)C1=C(O)C=C(O)C=C1	InChI=1S/C20H22O6/c1-20(2,25)8-7-13-16(22)6-5-14-18(24)15(10-26-19(13)14)12-4-3-11(21)9-17(12)23/h3-6,9,15,21-23,25H,7-8,10H2,1-2H3
HMDB38112	Kievitol	CC(CO)CCC1=C2OCC(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1	InChI=1S/C20H22O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h3,5-7,10,14,21-25H,2,4,8-9H2,1H3
HMDB38115	Setarin	CC(=C)OC1=CC(=O)OC2=CC=CC=C12	InChI=1S/C12H10O3/c1-8(2)14-11-7-12(13)15-10-6-4-3-5-9(10)11/h3-7H,1H2,2H3
HMDB38114	4'-O-Methylkievitone	COC1=CC(O)=C(C=C1)C1COC2=C(CC=C(C)C)C(O)=CC(O)=C2C1=O	InChI=1S/C21H22O6/c1-11(2)4-6-14-17(23)9-18(24)19-20(25)15(10-27-21(14)19)13-7-5-12(26-3)8-16(13)22/h4-5,7-9,15,22-24H,6,10H2,1-3H3
HMDB35349	Dammar-24-ene-3,6,12,17,20-pentol; (3b,6a,12b,17a,20S)-form, 20-O-[b-D-Glucopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside], 6-O-b-D-glucopyranoside	CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(O)C(C)(C)C5C(CC43C)OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C54H92O24/c1-22(2)11-10-13-53(9,78-48-42(77-47-41(69)37(65)33(61)27(20-56)75-47)38(66)34(62)28(76-48)21-71-45-39(67)35(63)31(59)23(3)72-45)54(70)16-15-51(7)43(54)24(57)17-29-50(6)14-12-30(58)49(4,5)44(50)25(18-52(29,51)8)73-46-40(68)36(64)32(60)26(19-55)74-46/h11,23-48,55-70H,10,12-21H2,1-9H3
HMDB38116	Ananasic acid	CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3CCC4C5(CC35C(O)CC12C)CCC(O)C4(C)C	InChI=1S/C30H48O5/c1-17(8-7-9-18(2)25(34)35)19-14-23(32)28(6)21-11-10-20-26(3,4)22(31)12-13-29(20)16-30(21,29)24(33)15-27(19,28)5/h9,17,19-24,31-33H,7-8,10-16H2,1-6H3,(H,34,35)/b18-9+
HMDB38119	Eremofukinone	CC1CCC(=O)C2CCC(CC12C)C(C)=C	InChI=1S/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3
HMDB35346	3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one; (3b,16a,20R)-form, 25-Ac, 3-O-b-D-glucopyranoside	CC(=O)OC(C)(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C	InChI=1S/C38H62O12/c1-19(40)50-33(2,3)15-14-25(42)38(9,47)31-22(41)16-35(6)24-12-10-20-21(37(24,8)26(43)17-36(31,35)7)11-13-27(34(20,4)5)49-32-30(46)29(45)28(44)23(18-39)48-32/h10,21-25,27-32,39,41-42,44-47H,11-18H2,1-9H3
HMDB35345	3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one; (3b,16a,20R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(C)(O)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C	InChI=1S/C42H70O16/c1-37(2,53)14-13-25(45)42(8,54)34-21(44)15-39(5)24-11-9-19-20(41(24,7)26(46)16-40(34,39)6)10-12-27(38(19,3)4)58-36-33(52)31(50)29(48)23(57-36)18-55-35-32(51)30(49)28(47)22(17-43)56-35/h9,20-25,27-36,43-45,47-54H,10-18H2,1-8H3
HMDB35344	3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one; (3b,16a,20R)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;4)-[b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4C(=CCC5C6(C)CC(O)C(C(C)(O)C(O)CCC(C)(C)O)C6(C)CC(=O)C45C)C3(C)C)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H80O20/c1-20-30(53)32(55)36(59)41(64-20)68-38-25(19-63-40-35(58)33(56)31(54)24(18-49)65-40)66-42(37(60)34(38)57)67-29-13-11-22-21(44(29,4)5)10-12-26-45(6)16-23(50)39(46(45,7)17-28(52)47(22,26)8)48(9,62)27(51)14-15-43(2,3)61/h10,20,22-27,29-42,49-51,53-62H,11-19H2,1-9H3
HMDB35343	TR-Saponin C	CCC(C)C(=O)OC1C(OC(=O)C(\C)=C/C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C5CCC4(C)C3(C)C(O)C(OC(C)=O)C12CO)C(=O)OC	InChI=1S/C54H82O21/c1-13-24(3)44(65)74-41-42(75-45(66)25(4)14-2)54(23-55)28(21-49(41,6)7)27-15-16-30-50(8)19-18-32(52(10,48(67)68-12)31(50)17-20-51(30,9)53(27,11)39(62)40(54)70-26(5)56)71-47-36(61)37(35(60)38(73-47)43(63)64)72-46-34(59)33(58)29(57)22-69-46/h13,15,25,28-42,46-47,55,57-62H,14,16-23H2,1-12H3,(H,63,64)/b24-13-
HMDB35342	TR-Saponin B	CCC(C)C(=O)OC1C(OC(=O)C(\C)=C/C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C5CCC4(C)C3(C)C(O)C(O)C12CO)C(=O)OC	InChI=1S/C52H80O20/c1-12-23(3)42(63)71-39-40(72-43(64)24(4)13-2)52(22-53)26(20-47(39,5)6)25-14-15-28-48(7)18-17-30(50(9,46(65)66-11)29(48)16-19-49(28,8)51(25,10)37(59)38(52)60)68-45-34(58)35(33(57)36(70-45)41(61)62)69-44-32(56)31(55)27(54)21-67-44/h12,14,24,26-40,44-45,53-60H,13,15-22H2,1-11H3,(H,61,62)/b23-12-
HMDB35341	TR-Saponin A	COC(=O)C1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)C(OC(=O)C(\C)=C/C)C(OC(=O)C(\C)=C/C)C3(CO)C(O)C(O)C12C)OC1OC(C(O)C(OC2OCC(O)C(O)C2O)C1O)C(O)=O	InChI=1S/C52H78O20/c1-12-23(3)42(63)71-39-40(72-43(64)24(4)13-2)52(22-53)26(20-47(39,5)6)25-14-15-28-48(7)18-17-30(50(9,46(65)66-11)29(48)16-19-49(28,8)51(25,10)37(59)38(52)60)68-45-34(58)35(33(57)36(70-45)41(61)62)69-44-32(56)31(55)27(54)21-67-44/h12-14,26-40,44-45,53-60H,15-22H2,1-11H3,(H,61,62)/b23-12-,24-13-
HMDB35340	Ganoderic acid Mi	COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)C(O)CC(C(C)CC\C=C(\C)C(O)=O)C1(C)CC2)OC(C)=O	InChI=1S/C33H52O6/c1-19(11-10-12-20(2)29(36)37)23-17-26(35)33(8)28-22(13-16-32(23,33)7)31(6)15-14-27(39-21(3)34)30(4,5)25(31)18-24(28)38-9/h12,19,23-27,35H,10-11,13-18H2,1-9H3,(H,36,37)/b20-12-
HMDB36607	(S)-Pterosin P	CC1CC2=C(C1=O)C(C)=C(CCO)C(CO)=C2	InChI=1S/C14H18O3/c1-8-5-10-6-11(7-16)12(3-4-15)9(2)13(10)14(8)17/h6,8,15-16H,3-5,7H2,1-2H3
HMDB36606	Pterosin F	CC1CC2=CC(C)=C(CCCl)C(C)=C2C1=O	InChI=1S/C14H17ClO/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9H,4-5,7H2,1-3H3
HMDB36605	Pterosin E	CC1CC2=CC(C)=C(CC(O)=O)C(C)=C2C1=O	InChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)
HMDB36604	N-Methylcalystegine B2	CN1C2CCC1(O)C(O)C(O)C2O	InChI=1S/C8H15NO4/c1-9-4-2-3-8(9,13)7(12)6(11)5(4)10/h4-7,10-13H,2-3H2,1H3
HMDB36603	Pteroside D	CC1=C(CCOC2OC(CO)C(O)C(O)C2O)C(C)=C2C(=O)C(C)(C)C(O)C2=C1	InChI=1S/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3
HMDB36602	(S)-Pterosin K	CC1=CC2=C(C(=O)C(C)(CO)C2)C(C)=C1CCCl	InChI=1S/C15H19ClO2/c1-9-6-11-7-15(3,8-17)14(18)13(11)10(2)12(9)4-5-16/h6,17H,4-5,7-8H2,1-3H3
HMDB36601	3'-Hydroxy-T2 Toxin	CC(=O)OCC12CC(OC(=O)CC(C)(C)O)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C11CO1	InChI=1S/C24H34O10/c1-12-7-16-23(10-30-13(2)25,8-15(12)33-17(27)9-21(4,5)29)22(6)19(32-14(3)26)18(28)20(34-16)24(22)11-31-24/h7,15-16,18-20,28-29H,8-11H2,1-6H3
HMDB36600	T2 Toxin	CC(C)CC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C	InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3
HMDB36609	Rothindin	OCC1OC(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C3OCOC3=C2)C(O)C(O)C1O	InChI=1S/C22H20O10/c23-7-17-19(25)20(26)21(27)22(32-17)31-11-2-3-12-15(6-11)28-8-13(18(12)24)10-1-4-14-16(5-10)30-9-29-14/h1-6,8,17,19-23,25-27H,7,9H2
HMDB36608	Pteroside P	CC1CC2=C(C1=O)C(C)=C(CCOC1OC(CO)C(O)C(O)C1O)C(CO)=C2	InChI=1S/C20H28O8/c1-9-5-11-6-12(7-21)13(10(2)15(11)16(9)23)3-4-27-20-19(26)18(25)17(24)14(8-22)28-20/h6,9,14,17-22,24-26H,3-5,7-8H2,1-2H3
HMDB13938	Promazine 5-sulfoxide	CN(C)CCCN1C2=CC=CC=C2S(=O)C2=CC=CC=C12	InChI=1S/C17H20N2OS/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)21(20)17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
HMDB13939	N-Desmethylpromazine	CNCCCN1C2=CC=CC=C2SC2=CC=CC=C12	InChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3
HMDB55214	TG(18:3(9Z,12Z,15Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30,32,34,40,43,56H,4-6,9,12-15,18,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-
HMDB15403	Lumiracoxib	CC1=CC(CC(O)=O)=C(NC2=C(F)C=CC=C2Cl)C=C1	InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
HMDB13930	R-95913	OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1	InChI=1S/C18H18FNO2S/c19-14-4-2-1-3-13(14)17(18(22)11-5-6-11)20-8-7-15-12(10-20)9-16(21)23-15/h1-4,9,11,17,21H,5-8,10H2
HMDB58721	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37-39,41-42,77-79,84H,5-24,27-28,31-34,36,40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB58722	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37-39,41-43,78-80,85H,5-24,28,32-36,40,44-77H2,1-4H3,(H,90,91)(H,92,93)/b29-25-,30-26-,31-27-,41-37-,42-38-,43-39-/t78?,79-,80-/m1/s1
HMDB58723	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,42-44,48,56,60,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB58724	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB34885	Imazamethabenz	CC(C)C1(C)N=C(NC1=O)C1=CC=C(C)C=C1C(O)=O.CC(C)C1(C)N=C(NC1=O)C1=CC(C)=CC=C1C(O)=O	InChI=1S/2C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)11-7-9(3)5-6-10(11)13(18)19;1-8(2)15(4)14(20)16-12(17-15)10-6-5-9(3)7-11(10)13(18)19/h2*5-8H,1-4H3,(H,18,19)(H,16,17,20)
HMDB58726	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58727	CL(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB15401	Nelarabine	COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1
HMDB34768	Wasalexin B	CON1C(=O)\C(=C/N=C(SC)SC)C2=C1C=CC=C2	InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8-
HMDB34769	Boric acid (HBO2)	OB=O	InChI=1S/BHO2/c2-1-3/h2H
HMDB34766	1,4-Di-O-caffeoylquinic acid	O[C@@H]1C[C@](C(=O)O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)OC(=O)\C=C\C1=CC=C(O)C(O)=C1	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
HMDB15406	Glisoxepide	CC1=CC(=NO1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1	InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)
HMDB34764	3-Nonen-2-one	CCCCC\C=C/C(C)=O	InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7-
HMDB34765	Wasalexin A	CON1C(=O)\C(=C\N=C(SC)SC)C2=C1C=CC=C2	InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8+
HMDB34760	Hydroxystrobilurin D	CO\C=C(/C(=O)OC)\C(\CO)=C/C=C\C1=CC=C2OCC(OCC=C(C)C)C(C)(C)OC2=C1	InChI=1S/C26H34O7/c1-18(2)12-13-31-24-17-32-22-11-10-19(14-23(22)33-26(24,3)4)8-7-9-20(15-27)21(16-29-5)25(28)30-6/h7-12,14,16,24,27H,13,15,17H2,1-6H3/b8-7-,20-9-,21-16-
HMDB34761	5-Nonen-2-one	CCC\C=C\CCC(C)=O	InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+
HMDB44112	TG(16:0/18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h26,31,56H,4-25,27-30,32-55H2,1-3H3/b31-26-
HMDB44113	TG(16:0/18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h26,33,58H,4-25,27-32,34-57H2,1-3H3/b33-26-
HMDB44110	TG(16:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-
HMDB44116	TG(16:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,22,26,28,52H,4-18,20-21,23-25,27,29-51H2,1-3H3/b22-19-,28-26-
HMDB34881	3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid	OC(=O)CCC1NC(CC2=C1NC1=CC=CC=C21)C(O)=O	InChI=1S/C15H16N2O4/c18-13(19)6-5-11-14-9(7-12(16-11)15(20)21)8-3-1-2-4-10(8)17-14/h1-4,11-12,16-17H,5-7H2,(H,18,19)(H,20,21)
HMDB44114	TG(16:0/18:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,48H,4-14,16-17,19-23,26-47H2,1-3H3/b18-15-,25-24-
HMDB44115	TG(16:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h20,23,25-26,50H,4-19,21-22,24,27-49H2,1-3H3/b23-20-,26-25-
HMDB34880	3-Methyl-2,4-nonanedione	CCCCCC(=O)C(C)C(C)=O	InChI=1S/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h8H,4-7H2,1-3H3
HMDB32705	Isopropyl beta-D-glucoside	CC(C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C9H18O6/c1-4(2)14-9-8(13)7(12)6(11)5(3-10)15-9/h4-13H,3H2,1-2H3
HMDB42698	TG(14:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,16-17,19,23-24,26-27,29,32,50H,4-13,15,18,20-22,25,28,30-31,33-49H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,32-29-
HMDB15473	Trisalicylate-choline	[Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O	InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3
HMDB15472	Neostigmine	CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C	InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
HMDB15471	Salsalate	OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O	InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
HMDB15470	Salicylate-sodium	[Na+].OC1=CC=CC=C1C([O-])=O	InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
HMDB15477	Clenbuterol	CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1	InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
HMDB15474	Methotrimeprazine	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1	InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1
HMDB15479	Tiotropium	C[N+]1(C)[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1	InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16+,17-
HMDB15478	Bambuterol	CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C	InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
HMDB37231	Perillyl acetate	CC(=O)OCC1=CCC(CC1)C(C)=C	InChI=1S/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3
HMDB37230	Citronellyl alpha-toluate	CC(CCOC(=O)CC1=CC=CC=C1)CCC=C(C)C	InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3
HMDB37233	Rosmaridiphenol	CC(C)C1=CC2=C(C(O)=C1O)C(=O)C1CCCC(C)(C)C1CC2	InChI=1S/C20H28O3/c1-11(2)14-10-12-7-8-15-13(6-5-9-20(15,3)4)17(21)16(12)19(23)18(14)22/h10-11,13,15,22-23H,5-9H2,1-4H3
HMDB37232	(2xi,4xi)-4,4',5,7-Tetrahydroxyflavan	OC1CC(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C=C1	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2
HMDB37235	Quassinol	CC1CC(=O)C2(O)OC3C4C2(C)C1CC1OC(=O)C=C(C(C)=C3O)C41C	InChI=1S/C20H24O6/c1-8-5-12(21)20(24)19(4)10(8)6-13-18(3)11(7-14(22)25-13)9(2)15(23)16(26-20)17(18)19/h7-8,10,13,16-17,23-24H,5-6H2,1-4H3
HMDB37234	Koraiol	CC1(C)CC2C1CCC(C)(O)C1CCC21C	InChI=1S/C15H26O/c1-13(2)9-11-10(13)5-8-15(4,16)12-6-7-14(11,12)3/h10-12,16H,5-9H2,1-4H3
HMDB37237	Ammonium sulfate	[NH4+].[NH4+].[O-]S([O-])(=O)=O	InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)
HMDB37236	3beta-24-Methylenecycloartan-3-ol	CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3
HMDB37239	Chlorine	ClCl	InChI=1S/Cl2/c1-2
HMDB37238	Helium	[He]	InChI=1S/He
HMDB14702	Benzthiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)=NS(=O)(=O)C2=C1	InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)
HMDB14703	Methotrexate	CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
HMDB14700	Tigecycline	[H][C@@]12CC3=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C	InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1
HMDB14701	Doxapram	CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
HMDB14706	Succimer	OC(=O)C(S)C(S)C(O)=O	InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
HMDB14707	Cephalexin	[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O	InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
HMDB14704	Carbamazepine	NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12	InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
HMDB14705	Cisatracurium Besylate	[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.COC1=C(OC)C=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C=C2)C=C1	InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54-,55-;;/m1../s1
HMDB14708	Cinnarizine	C(C=CC1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
HMDB14709	Fondaparinux sodium	[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS([O-])(=O)=O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C(O)=O)[C@H](O)[C@H]1NS([O-])(=O)=O	InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-8/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1
HMDB06285	4-oxo-Retinoic acid	C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O	InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
HMDB50497	TG(20:1(11Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-33,35,58H,4-15,17-18,20-24,30-31,34,36-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,35-33-
HMDB38939	Panaquinquecol 4	CCCCCCCC1OC1CC#CC#CC(=O)C1CO1	InChI=1S/C17H22O3/c1-2-3-4-5-8-11-15-16(20-15)12-9-6-7-10-14(18)17-13-19-17/h15-17H,2-5,8,11-13H2,1H3
HMDB38938	Panaquinquecol 2	CCCCCCCC1OC1C(O)C#CC#CC(O)C=C	InChI=1S/C17H24O3/c1-3-5-6-7-8-13-16-17(20-16)15(19)12-10-9-11-14(18)4-2/h4,14-19H,2-3,5-8,13H2,1H3
HMDB38937	Garcilivin B	CC(C)=CC1CC(C)(OC2=C1C=CC1=C2OC2=C(C(O)=CC=C2O)C1=O)\C=C\C1=C(O)C2=C(C(O)=C1)C(=O)C1=C(O2)C(O)=CC=C1	InChI=1S/C36H28O10/c1-16(2)13-18-15-36(3,46-33-19(18)7-8-21-30(43)26-22(37)9-10-24(39)34(26)45-32(21)33)12-11-17-14-25(40)27-29(42)20-5-4-6-23(38)31(20)44-35(27)28(17)41/h4-14,18,37-41H,15H2,1-3H3/b12-11+
HMDB38936	Garcilivin A	CC1=CC(C2=CC(O)=C3C(=O)C4=C(OC3=C2O)C(O)=CC=C4)C(C)(CC1)\C=C\C1=C(O)C2=C(C(O)=C1)C(=O)C1=C(O2)C(O)=CC=C1	InChI=1S/C36H28O10/c1-16-9-11-36(2,12-10-17-14-24(39)26-29(42)18-5-3-7-22(37)32(18)45-34(26)28(17)41)21(13-16)20-15-25(40)27-30(43)19-6-4-8-23(38)33(19)46-35(27)31(20)44/h3-8,10,12-15,21,37-41,44H,9,11H2,1-2H3/b12-10+
HMDB38935	Kamahine C	CC1CC2(OC1O)OC1C(=O)C=C(C)C2(O)C1(C)C	InChI=1S/C14H20O5/c1-7-6-13(19-11(7)16)14(17)8(2)5-9(15)10(18-13)12(14,3)4/h5,7,10-11,16-17H,6H2,1-4H3
HMDB38934	Ssioriside	COC1=CC(CC(CO)C(COC2OCC(O)C(O)C2O)CC2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O	InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3
HMDB38933	Sambacolignoside	COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C\C)C1CC(=O)OCC1OC(OC23COC(C2COC3C2=CC=C(O)C(OC)=C2)C2=CC=C(O)C(OC)=C2)C(O)C(O)C1O	InChI=1S/C43H54O22/c1-5-20-21(22(39(54)57-4)14-60-40(20)64-41-35(52)33(50)31(48)28(13-44)62-41)12-30(47)58-16-29-32(49)34(51)36(53)42(63-29)65-43-17-61-37(18-6-8-24(45)26(10-18)55-2)23(43)15-59-38(43)19-7-9-25(46)27(11-19)56-3/h5-11,14,21,23,28-29,31-38,40-42,44-46,48-53H,12-13,15-17H2,1-4H3/b20-5+
HMDB38932	Justisolin	OC1=CC2=C(OCO2)C=C1C1OCC2C1COC2C1=CC2=C(OCO2)C=C1	InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2
HMDB38931	Sesartemin	COC1=C2OCOC2=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(OC)C(OC)=C1	InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3
HMDB38930	7-Hydroxyaustrobailignan 5	CC(CC1=CC2=C(OCO2)C=C1)C(C)C(O)C1=CC=C2OCOC2=C1	InChI=1S/C20H22O5/c1-12(7-14-3-5-16-18(8-14)24-10-22-16)13(2)20(21)15-4-6-17-19(9-15)25-11-23-17/h3-6,8-9,12-13,20-21H,7,10-11H2,1-2H3
HMDB36180	3-Methyl-2-butanethiol	CC(C)C(C)S	InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3
HMDB36181	2-[(Isopropylthio)methyl]furan	CC(C)SCC1=CC=CO1	InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3
HMDB36182	5,5-Dibutyl-4,5-dihydro-2(3H)furanone	CCCCC1(CCCC)CCC(=O)O1	InChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3
HMDB36183	4-(4-Methylphenyl)-2-butanone	CC(=O)CCC1=CC=C(C)C=C1	InChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,5,8H2,1-2H3
HMDB36184	7,8-Dehydro-3,4-dihydro-beta-ionol	CC(O)CCC1=C(C)C=CCC1(C)C	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11,14H,7-9H2,1-4H3
HMDB36185	3-(2-Furanyl)-2-phenyl-2-propenal	O=C\C(=C\C1=CC=CO1)C1=CC=CC=C1	InChI=1S/C13H10O2/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-10H/b12-9-
HMDB36186	Pyrazinemethanethiol	SCC1=NC=CN=C1	InChI=1S/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2
HMDB36187	2-[(2-Furanylmethyl)thio]-6-methylpyrazine	CC1=CN=CC(SCC2=CC=CO2)=N1	InChI=1S/C10H10N2OS/c1-8-5-11-6-10(12-8)14-7-9-3-2-4-13-9/h2-6H,7H2,1H3
HMDB36188	Tetrahydrofurfuryl butyrate	CCCC(=O)OCC1CCCO1	InChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3
HMDB36189	Tetrahydrofurfuryl cinnamate	O=C(OCC1CCCO1)\C=C\C1=CC=CC=C1	InChI=1S/C14H16O3/c15-14(17-11-13-7-4-10-16-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2/b9-8+
HMDB10719	trans-Hex-2-enoic acid	CCC\C=C\C(O)=O	InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
HMDB10718	(R)-3-Hydroxyhexanoic acid	[H][C@@](O)(CCC)CC(O)=O	InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
HMDB10715	2-Phenylacetamide	NC(=O)CC1=CC=CC=C1	InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
HMDB10714	Galactosylceramide (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29-/t35?,36?,37-,39+,40+,41-,42-/m1/s1
HMDB10717	3-Oxohexanoic acid	CCCC(=O)CC(O)=O	InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)
HMDB10716	Gamma-Glutamyl-Se-methylselenocysteine	C[Se]CC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C9H16N2O5Se/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
HMDB10711	Galactosylceramide (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,39-41,43-46,48-49,51-53H,3-32,34,36-38H2,1-2H3,(H,47,50)/b35-33-/t39?,40?,41-,43+,44+,45-,46-/m1/s1
HMDB10710	Galactosylceramide (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31-/t37?,38?,39-,41+,42+,43-,44-/m1/s1
HMDB10713	Galactosylceramide (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,37,39,43-45,47-50,52-53,55-57H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)/b18-17-,39-37-/t43?,44?,45-,47+,48+,49-,50-/m1/s1
HMDB10712	Galactosylceramide (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17-,37-35-/t41?,42?,43-,45+,46+,47-,48-/m1/s1
HMDB13163	2-Hydroxyfluorene	OC1=CC2=C(C=C1)C1=CC=CC=C1C2	InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2
HMDB13162	2-Hexenoylcholine	CCC\C=C\C(=O)OCC[N+](C)(C)C	InChI=1S/C11H22NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3/q+1/b8-7+
HMDB13161	2-Hexenoylcarnitine	CCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C13H23NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3/b8-7+
HMDB13166	2-Hydroxymyristoylcarnitine	CCCCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(23)21(26)27-18(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3
HMDB13164	2-Hydroxylauroylcarnitine	CCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-13-17(21)19(24)25-16(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3
HMDB12414	PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C42H70NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39H,3-4,9-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
HMDB12415	PS(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,40-41H,3-5,7,9-10,15-16,20,23,25-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t40-,41+/m1/s1
HMDB12416	PS(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H72NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,40-41H,3-5,7,9-10,15-16,20,23,25-27,29,31-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t40-,41+/m1/s1
HMDB12417	PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C46H72NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,42-43H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t42-,43+/m1/s1
HMDB12410	PS(18:3(9Z,12Z,15Z)/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,36-37H,3-4,6,8-10,12,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,16-14-,18-17-/t36-,37+/m1/s1
HMDB12411	PS(18:3(9Z,12Z,15Z)/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,38-39H,3-4,6,8-10,12,14-16,18,20-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,19-17-/t38-,39+/m1/s1
HMDB12412	PS(18:3(9Z,12Z,15Z)/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,38-39H,3-4,6,8-10,12,14-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,19-17-,20-18-/t38-,39+/m1/s1
HMDB12413	PS(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39H,3-4,6,8-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
HMDB12418	PS(20:3(8Z,11Z,14Z)/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,36-37H,3-10,12,14-15,18,21-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,17-16-,20-19-/t36-,37+/m1/s1
HMDB12419	PS(20:3(8Z,11Z,14Z)/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,36-37H,3-9,14-15,18,21-35,41H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,13-11-,17-16-,20-19-/t36-,37+/m1/s1
HMDB42791	TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,35,50H,4-7,9-10,12-16,18-19,21-23,28-31,33-34,36-49H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-32-
HMDB31035	5-Heneicosyl-1,3-benzenediol	CCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3
HMDB39329	12-Oleanene-3,22,24-triol; (3b,22b)-form, 3-O-b-D-Glucuronopyranoside	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)
HMDB39328	Epicatechin 3-O-(4-methylgallate)	COC1=C(O)C=C(C=C1O)C(=O)OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3
HMDB39321	Kaempferol 3-rhamnoside 4'-xyloside	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(OC3OCC(O)C(O)C3O)C=C2)C(O)C(O)C1O	InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)40-24-19(32)16-13(28)6-11(27)7-15(16)39-23(24)10-2-4-12(5-3-10)38-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3
HMDB39320	3,4',5,7-Tetrahydroxyflavone; 3-O-a-L-Rhamnopyranoside, 7-O-b-D-galacturonopyranoside	CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H28O16/c1-8-15(30)17(32)20(35)26(39-8)42-23-16(31)14-12(29)6-11(7-13(14)41-22(23)9-2-4-10(28)5-3-9)40-27-21(36)18(33)19(34)24(43-27)25(37)38/h2-8,15,17-21,24,26-30,32-36H,1H3,(H,37,38)
HMDB39323	6''-O-Malonylglycitin	COC1=CC2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1
HMDB39322	3-Glucogallic acid	OCC1OC(OC2=C(O)C(O)=CC(=C2)C(O)=O)C(O)C(O)C1O	InChI=1S/C13H16O10/c14-3-7-9(17)10(18)11(19)13(23-7)22-6-2-4(12(20)21)1-5(15)8(6)16/h1-2,7,9-11,13-19H,3H2,(H,20,21)
HMDB39325	Gallic acid 3-O-(6-galloylglucoside)	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O	InChI=1S/C20H20O14/c21-8-2-7(3-9(22)13(8)24)19(31)32-5-12-15(26)16(27)17(28)20(34-12)33-11-4-6(18(29)30)1-10(23)14(11)25/h1-4,12,15-17,20-28H,5H2,(H,29,30)
HMDB39324	xi-3-Hydroxy-2-oxobutanoic acid	CC(O)C(=O)C(O)=O	InChI=1S/C4H6O4/c1-2(5)3(6)4(7)8/h2,5H,1H3,(H,7,8)
HMDB39327	3-(4-Hydroxybenzoyl)epicatechin	OC1=CC=C(C=C1)C(=O)OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	InChI=1S/C22H18O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h1-9,20-21,23-27H,10H2
HMDB39326	Gallic acid 4-O-(6-galloylglucoside)	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(C=C2O)C(O)=O)C1O	InChI=1S/C20H20O14/c21-8-3-7(4-9(22)13(8)25)19(31)32-5-12-14(26)15(27)16(28)20(33-12)34-17-10(23)1-6(18(29)30)2-11(17)24/h1-4,12,14-16,20-28H,5H2,(H,29,30)
HMDB42796	TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25-28,33,36,51H,4-7,9-10,12-16,18,21,23-24,29-32,34-35,37-50H2,1-3H3/b11-8-,20-17-,22-19-,27-25-,28-26-,36-33-
HMDB31034	Tetrahydro-6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyl-2H-pyran-2-one	CCCCCCCC(C)CCC(C)CCCCCCCCCCCCCC(O)CC1CC(C)CC(=O)O1	InChI=1S/C34H66O3/c1-5-6-7-15-18-21-29(2)24-25-30(3)22-19-16-13-11-9-8-10-12-14-17-20-23-32(35)28-33-26-31(4)27-34(36)37-33/h29-33,35H,5-28H2,1-4H3
HMDB39445	(3beta,4alpha,5alpha)-4,14-Dimethylergosta-9(11),24(28)-dien-3-ol	CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h14,19,21-24,26-27,31H,3,9-13,15-18H2,1-2,4-8H3
HMDB59110	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59111	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-67,70,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,68-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-/t87?,88-,89-/m1/s1
HMDB59112	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59113	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-71-75-79-92(97)109-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,43-44,47-50,53-56,59-62,65-68,71-72,87-89,94H,5-20,29-32,41-42,45-46,51-52,57-58,63-64,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,54-50-,59-55-,60-56-,65-61-,66-62-,71-67-,72-68-/t88-,89-/m1/s1
HMDB59114	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-71-75-79-92(97)109-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,43-44,47-50,53-56,59-62,65-66,68,72,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,51-52,57-58,63-64,67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,54-50-,59-55-,60-56-,65-61-,66-62-,72-68-/t87?,88-,89-/m1/s1
HMDB59115	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-71-75-79-92(97)109-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,43-44,47-50,53-56,59-62,65-68,71-72,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,51-52,57-58,63-64,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,54-50-,59-55-,60-56-,65-61-,66-62-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB00248	Thyroxine	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
HMDB59117	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB00246	Tetrahydrofuran	C1CCOC1	InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
HMDB00247	Sorbitol	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
HMDB00244	Riboflavin	CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1	InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
HMDB00245	Porphobilinogen	NCC1=C(CC(O)=O)C(CCC(O)=O)=CN1	InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
HMDB00243	Pyruvic acid	CC(=O)C(O)=O	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
HMDB00240	Sulfite	[O-]S([O-])=O	InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
HMDB00241	Protoporphyrin IX	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O	InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
HMDB11147	DG(18:0e/2:0/0:0)	[H][C@](CO)(COCCCCCCCCCCCCCCCCCC)OC(C)=O	InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-23(20-24)27-22(2)25/h23-24H,3-21H2,1-2H3/t23-/m0/s1
HMDB11146	DG(16:0e/18:0/0:0)	[H][C@](CO)(COCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C37H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36,38H,3-35H2,1-2H3/t36-/m0/s1
HMDB11145	PA(16:0e/18:0)	[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C37H75O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1
HMDB11144	LPA(18:0e/0:0)	[H][C@@](O)(COCCCCCCCCCCCCCCCCCC)COP(O)(O)=O	InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25)/t21-/m1/s1
HMDB11143	MG(18:0e/0:0/0:0)	[H][C@](O)(CO)COCCCCCCCCCCCCCCCCCC	InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m0/s1
HMDB11142	DHAP(18:0e)	CCCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O	InChI=1S/C21H43O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h2-20H2,1H3,(H2,23,24,25)
HMDB11140	Hypusine	NCC[C@H](O)CNCCCC[C@H](N)C(O)=O	InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1
HMDB11149	LysoPC(O-18:0)	[H][C@@](O)(COCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/t26-/m1/s1
HMDB11148	PC(18:1(9Z)e/2:0)	CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O	InChI=1S/C28H56NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3,4)5/h13-14,28H,6-12,15-26H2,1-5H3/b14-13-/t28-/m1/s1
HMDB31030	6-Heptyl-5,6-dihydro-2H-pyran-2-one	CCCCCCCC1CC=CC(=O)O1	InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3
HMDB43481	TG(15:0/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-24-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,53H,4-12,14-15,17-21,23-24,26-52H2,1-3H3/b16-13-,25-22-
HMDB43480	TG(15:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,34,37,43,46,56H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,37-34-,46-43-
HMDB43483	TG(15:0/20:3n6/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,51H,4-15,17-18,20-24,27,29,31-50H2,1-3H3/b19-16-,26-25-,30-28-
HMDB31033	4-Dodecylbenzenesulfonic acid Na salt	[Na+].CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O	InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1
HMDB43482	TG(15:0/20:3n6/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,50H,4-15,17-18,20-24,27,30-49H2,1-3H3/b19-16-,26-25-,29-28-
HMDB43485	TG(15:0/20:3n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,55H,4-16,18-19,21-25,27,29-31,33,35-54H2,1-3H3/b20-17-,28-26-,34-32-
HMDB43484	TG(15:0/20:3n6/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,53H,4-15,17-18,20-24,26,28-29,31,33-52H2,1-3H3/b19-16-,27-25-,32-30-
HMDB43487	TG(15:0/20:3n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,36,38,59H,4-16,18-19,21-25,27,29-35,37,39-58H2,1-3H3/b20-17-,28-26-,38-36-
HMDB43486	TG(15:0/20:3n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,36,57H,4-16,18-19,21-25,27,29-33,35,37-56H2,1-3H3/b20-17-,28-26-,36-34-
HMDB53215	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-7,9-10,12-15,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB53214	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-7,9-10,12-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB53217	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-32,35-37,39-41,44,56H,4-6,9,12-15,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB42850	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,37,40,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,31-29-,40-37-
HMDB53211	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-34,36-38,41,43,46,58H,4-7,9-10,12-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB53210	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31,33,36-37,40,42,45,57H,4-6,8-9,11-13,15,20,22,24,29-30,32,34-35,38-39,41,43-44,46-56H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-,45-42-
HMDB53213	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34,36,39-40,43,45,48,60H,4-7,9-10,12-15,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB53212	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-34,36-38,41-43,45-46,58H,4-7,9-10,12-15,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB53219	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-34,36-38,41-43,45-46,58H,4-6,9,12-15,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB53218	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-34,36-38,41,43,46,58H,4-6,9,12-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB03501	3,4-Dihydroxy-trans-cinnamate	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
HMDB06954	2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate	CC1=NC=C(C=O)C(C(O)=O)=C1O	InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)
HMDB06955	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	CC1=NC=C(C(O)=O)C(C(O)=O)=C1O	InChI=1S/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)
HMDB49346	TG(18:1(11Z)/22:1(13Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,33,58H,4-19,21-22,24,26,29-32,34-57H2,1-3H3/b23-20-,28-25-,33-27-
HMDB49347	TG(18:1(11Z)/22:1(13Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,60H,4-20,22-23,27,30-59H2,1-3H3/b24-21-,28-25-,29-26-
HMDB49340	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33-34,36-37,43,46,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB03502	Myo-inositol hexakisphosphate	OP(O)(=O)OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O	InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
HMDB49342	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB06953	1-Phosphatidyl-D-myo-inositol	OC1C(O)[C@H](O)C(OP(O)(=O)OCC(COC=O)OC=O)[C@H](O)[C@H]1O	InChI=1S/C11H19O13P/c12-3-21-1-5(22-4-13)2-23-25(19,20)24-11-9(17)7(15)6(14)8(16)10(11)18/h3-11,14-18H,1-2H2,(H,19,20)/t5?,6?,7-,8?,9+,10-,11?/m0/s1
HMDB32077	Dibenzyl disulfide	C(SSCC1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
HMDB49348	TG(18:1(11Z)/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,35,38,44,47,60H,4-20,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b24-21-,28-25-,29-26-,38-35-,47-44-
HMDB49349	TG(18:1(11Z)/22:1(13Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-
HMDB43920	TG(16:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,22,52H,4-18,20-21,23-51H2,1-3H3/b22-19-
HMDB47412	TG(24:0/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,42,45,61H,4-17,19-20,22-26,28-34,36-41,43-44,46-60H2,1-3H3/b21-18-,35-27-,45-42-
HMDB45223	TG(18:0/22:2(13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,60H,4-15,18,21-24,27,30-34,36-37,39-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-
HMDB49031	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,35,38,44,47,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,38-35-,47-44-
HMDB45222	TG(18:0/22:2(13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,59H,4-13,15,18,20-22,24,27,29-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-
HMDB45221	TG(18:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,32,38,41,58H,4-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-,41-38-
HMDB45220	TG(18:0/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,34,59H,4-15,17-18,21-22,24,26-27,30-33,35-58H2,1-3H3/b19-16-,23-20-,28-25-,34-29-
HMDB45227	TG(18:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,40,43,49,52,62H,4-15,18,21-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB45226	TG(18:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,40,43,62H,4-15,18,21-24,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,43-40-
HMDB45225	TG(18:0/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,62H,4-15,18,21-24,27,30-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-
HMDB45224	TG(18:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,44,47,60H,4-15,18,21-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB59263	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,36-37,40-43,48-49,51-52,60,64,81-83,88H,5-8,10-12,14-20,23-24,29-30,35,38-39,44-47,50,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,64-60-/t81?,82-,83-/m1/s1
HMDB40288	2-(Ethylsulfonylmethyl)phenyl methylcarbamate	CCS(=O)(=O)CC1=C(OC(=O)NC)C=CC=C1	InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
HMDB40289	2-(Ethylsulfinylmethyl)phenyl methylcarbamate	CCS(=O)CC1=C(OC(=O)NC)C=CC=C1	InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
HMDB40286	3-Phenyl-2-propenoic acid, 9CI; (E)-form, Benzyl ester	O=C(OCC1=CC=CC=C1)\C=C/C1=CC=CC=C1	InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11-
HMDB40287	1-Phenylethyl propanoate	CCC(=O)OC(C)C1=CC=CC=C1	InChI=1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
HMDB40284	1,2-Dihydro-1,1,6-trimethylnaphthalene	CC1=CC=C2C(C=CCC2(C)C)=C1	InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3
HMDB40285	Anapear	COC(=O)CC\C=C\CC=C	InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3,5-6H,1,4,7-8H2,2H3/b6-5+
HMDB40282	6'-HMG SDG	COC1=CC(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C38H54O20/c1-38(51,12-28(42)43)13-29(44)54-17-27-31(46)33(48)35(50)37(58-27)56-16-21(9-19-5-7-23(41)25(11-19)53-3)20(8-18-4-6-22(40)24(10-18)52-2)15-55-36-34(49)32(47)30(45)26(14-39)57-36/h4-7,10-11,20-21,26-27,30-37,39-41,45-51H,8-9,12-17H2,1-3H3,(H,42,43)
HMDB40283	Secoisolariciresinol; (8R,8'R)-form, 9,9'-Bis-O-[4-carboxy-3-hydroxy-3-methylbutanoyl-(-&gt;6)-b-D-glucopyranoside]	COC1=CC(CC(COC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)C(COC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C44H62O24/c1-43(59,13-31(47)48)15-33(51)63-19-29-35(53)37(55)39(57)41(67-29)65-17-23(9-21-5-7-25(45)27(11-21)61-3)24(10-22-6-8-26(46)28(12-22)62-4)18-66-42-40(58)38(56)36(54)30(68-42)20-64-34(52)16-44(2,60)14-32(49)50/h5-8,11-12,23-24,29-30,35-42,45-46,53-60H,9-10,13-20H2,1-4H3,(H,47,48)(H,49,50)
HMDB40280	1-(2-Furanyl)-1-propanone	CCC(=O)C1=CC=CO1	InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
HMDB40281	Geranyl valerate	CCCCC(=O)OC\C=C(\C)CCC=C(C)C	InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11-
HMDB51107	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34-35,38,40,43-44,47,60H,4-17,19-20,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB51106	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,35-36,39,45,48,61H,4-20,22-23,27,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b24-21-,28-25-,29-26-,35-30-,39-36-,48-45-
HMDB03201	Malvidin	[Cl-].COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O	InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H
HMDB51104	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,38,41,47,50,64H,4-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,50-47-
HMDB51103	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-30,36-37,39-40,45-46,48-49,62H,4-24,31-35,38,41-44,47,50-61H2,1-3H3/b28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB51102	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33-34,36-37,42-43,45-46,59H,4-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB51101	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB51100	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB03208	Thromboxane	CCCCCCCC[C@H]1OCCC[C@@H]1CCCCCCC	InChI=1S/C20H40O/c1-3-5-7-9-11-13-17-20-19(16-14-18-21-20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m0/s1
HMDB51109	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36-37,39-40,46,49,62H,4-16,18-19,21-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB51108	TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,36,39,45,48,61H,4-14,16-17,19-23,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,39-36-,48-45-
HMDB56656	CL(16:0/18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25-26,29-30,35-36,38-39,74-76,81H,5-24,27-28,31-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB08044	PC(18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,44H,6-19,21,23-43H2,1-5H3/b22-20-/t44-/m1/s1
HMDB56654	CL(16:0/18:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,37,73-75,80H,5-24,26,28,30,32-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,31-27-,37-34-/t73?,74-,75-/m1/s1
HMDB56655	CL(16:0/18:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,29,34-35,37-38,73-75,80H,5-24,26-28,30-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB56652	CL(16:0/18:1(9Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,29,34,37,73-75,80H,5-24,26-28,30-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,37-34-/t73?,74-,75-/m1/s1
HMDB56653	CL(16:0/18:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,28-29,32,34,36,71-73,78H,5-24,26-27,30-31,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB56650	CL(16:0/18:1(9Z)/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27,31,33-36,71-73,78H,5-26,28-30,32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB51317	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB00978	4-(2-Aminophenyl)-2,4-dioxobutanoic acid	NC1=C(C=CC=C1)C(=O)CC(=O)C(O)=O	InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)
HMDB59266	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,37-39,42-45,47,50-51,54-55,62,66,84-86,91H,5-9,11-13,15-20,23-24,29-30,35-36,40-41,46,48-49,52-53,56-61,63-65,67-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-,66-62-/t84?,85-,86-/m1/s1
HMDB43836	TG(16:0/14:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-
HMDB56658	CL(16:0/18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-39,41,46,50,58,62,77-79,84H,5-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56659	CL(16:0/18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB41889	etamiphylline	CCN(CC)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C	InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3
HMDB08047	PC(18:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,44H,6-13,15,17-19,21,23-24,26,28-43H2,1-5H3/b16-14-,22-20-,27-25-/t44-/m1/s1
HMDB41883	doripenem	[H][C@](C)(O)[C@@]1([H])C(=O)N2C(C(O)=O)=C(S[C@]3([H])CN[C@]([H])(CNS(N)(=O)=O)C3)[C@]([H])(C)[C@]12[H]	InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
HMDB41882	dopexamine	OC1=C(O)C=C(CCNCCCCCCNCCC2=CC=CC=C2)C=C1	InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2
HMDB41881	dimethylmethylene	C[C]C	InChI=1S/C3H6/c1-3-2/h1-2H3
HMDB41880	dimethylamphetamine	CC(CC1=CC=CC=C1)N(C)C	InChI=1S/C11H17N/c1-10(12(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
HMDB41887	endalin	OCC1CCC(O1)N1C=C(F)C(=N)N=C1O	InChI=1S/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)
HMDB41886	enalaprilat	O.O.[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=O	InChI=1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2/t12-,14-,15-;;/m0../s1
HMDB41885	ebrotidine	NC(=N)NC1=NC(CSCCN=CNS(=O)(=O)C2=CC=C(Br)C=C2)=CS1	InChI=1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21)
HMDB41884	doxorubicinol	[H][C@](O)(CO)[C@]1(O)CC2=C(O)C3=C(C(O)=C2[C@]([H])(C1)O[C@@]1([H])C[C@]([H])(N)[C@]([H])(O)[C@]([H])(C)O1)C(=O)C1=C(C=CC=C1OC)C3=O	InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22+,27-/m0/s1
HMDB43832	TG(16:0/14:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB59267	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-39,42-43,45-46,50-52,54-56,62-63,66-67,85-87,92H,5-9,11-13,15-20,24,29-31,36,40-41,44,47-49,53,57-61,64-65,68-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-,67-63-/t85?,86-,87-/m1/s1
HMDB43833	TG(16:0/14:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB49735	TG(18:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,32,34,51H,4-6,8-9,11-15,17-18,20-24,29-31,33,35-50H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-32-
HMDB49734	TG(18:1(9Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,51H,4-6,8-9,11-15,17-18,20-24,29-50H2,1-3H3/b10-7-,19-16-,27-25-,28-26-
HMDB43838	TG(16:0/14:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h24-25,50H,4-23,26-49H2,1-3H3/b25-24-
HMDB49737	TG(18:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,37,40,53H,4-6,8-9,11-15,17-18,20-24,28,31,33-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-,40-37-
HMDB43839	TG(16:0/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h24-25,27,29,34,37,50H,4-23,26,28,30-33,35-36,38-49H2,1-3H3/b25-24-,29-27-,37-34-
HMDB49736	TG(18:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,53H,4-6,8-9,11-15,17-18,20-24,28,31,33-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-
HMDB49731	TG(18:1(9Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,55H,4-15,17-18,20-24,28-30,32-54H2,1-3H3/b19-16-,27-25-,31-26-
HMDB49730	TG(18:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,37,40,53H,4-15,17-18,20-24,28,31,33-36,38-39,41-52H2,1-3H3/b19-16-,27-25-,29-26-,32-30-,40-37-
HMDB49733	TG(18:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,42,45,55H,4-15,17-18,20-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-,45-42-
HMDB45875	TG(20:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,33-34,36,42,45,59H,4-20,22-23,26-27,29,31-32,35,37-41,43-44,46-58H2,1-3H3/b24-21-,28-25-,33-30-,36-34-,45-42-
HMDB49732	TG(18:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,55H,4-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-
HMDB48286	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,13,15-18,20,22,24-25,27,33,36,51H,4-7,9-10,12,14,19,21,23,26,28-32,34-35,37-50H2,1-3H3/b11-8-,16-13-,18-15-,20-17-,24-22-,27-25-,36-33-
HMDB03974	Oxalosuccinic acid	OC(=O)CC(C(O)=O)C(=O)C(O)=O	InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)
HMDB48284	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25-28,33,36,51H,4-7,9-10,12-14,16,21,23-24,29-32,34-35,37-50H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,28-26-,36-33-
HMDB03976	D-Glucuronic acid 1-phosphate	O[C@@H]1[C@@H](O)C(OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O	InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6?/m0/s1
HMDB03971	Beta-D-Fructose 6-phosphate	OC[C@@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
HMDB48283	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,38,41,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-37,39-40,42-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-,41-38-
HMDB48280	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,34,37,52H,4-7,9-10,12-14,16,19,21-23,27,29-33,35-36,38-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,37-34-
HMDB48281	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-14,16,19,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB55301	TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,40,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-
HMDB55300	TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-41,43-44,49,52,62H,4-6,8,11,13-15,22-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-
HMDB55303	TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-33,37-38,40-41,46,49,58H,4-7,10,13-15,22-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-
HMDB55302	TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-33,37,40,46,49,58H,4-7,10,13-15,22-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-
HMDB55305	TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-7,10,13-15,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB55304	TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-7,10,13-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-
HMDB48288	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-14,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB48289	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,36,39,54H,4-7,9-10,12-14,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-,39-36-
HMDB50768	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,38,41,56H,4-7,10,13-16,19,22-24,29,32-37,39-40,42-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,41-38-
HMDB50769	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,36,38-39,41,56H,4-7,10,13-16,19,22-24,29,32-35,37,40,42-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-
HMDB50764	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,35,40-41,43-44,58H,4-8,10-11,13-15,17,20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-
HMDB50765	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,42,45,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,45-42-
HMDB50766	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41-42,45,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-
HMDB50767	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41-42,45,47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-
HMDB50760	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-32,39,42,57H,4-8,10-11,13-17,19,22,24,26,30,33-38,40-41,43-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,42-39-
HMDB50761	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-31,36,38-39,41,56H,4-8,10-11,13-16,19,22-24,29,32-35,37,40,42-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-
HMDB50762	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,39,42,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32-38,40-41,43-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,42-39-
HMDB50763	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,35,40,43,58H,4-8,10-11,13-15,17,20,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-
HMDB54658	TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-41,60H,4-15,18,21-24,29-30,35-37,42-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-
HMDB54659	TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-41,46,49,60H,4-15,18,21-24,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-
HMDB54654	TG(22:4(7Z,10Z,13Z,16Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39-40,43,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-
HMDB54655	TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-
HMDB54656	TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,45,48,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-
HMDB54657	TG(22:4(7Z,10Z,13Z,16Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-
HMDB54650	TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,45,48,59H,4-15,18,21-24,29-30,35-36,39,42-44,46-47,49-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-
HMDB54651	TG(22:4(7Z,10Z,13Z,16Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,55H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-
HMDB54652	TG(22:4(7Z,10Z,13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-38,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-
HMDB54653	TG(22:4(7Z,10Z,13Z,16Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-
HMDB59341	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,43-49,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,10-12,14-20,24,28-32,40-42,50-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB01195	Dyspropterin	CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)
HMDB01197	FADH	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=C(N2)C(=O)NC(=O)N1	InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
HMDB01196	N,N'-Diacetylchitobiosyldiphosphodolichol	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(O)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(O)(=O)OCCC(C)CC\C=C(/C)CC=C(C)C)[C@H](NC(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C28H50N2O19P2/c1-14(2)8-9-15(3)6-5-7-16(4)10-11-44-50(40,41)49-51(42,43)48-26-20(30-28(38)39)23(35)24(18(13-32)46-26)47-25-19(29-27(36)37)22(34)21(33)17(12-31)45-25/h6,8,16-26,29-35H,5,7,9-13H2,1-4H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)/b15-6+/t16?,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+/m1/s1
HMDB01191	Deoxyuridine triphosphate	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
HMDB01190	Indoleacetaldehyde	O=CCC1=CNC2=CC=CC=C12	InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
HMDB01193	5(S)-Hydroperoxyeicosatetraenoic acid	CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC(O)=O)OO	InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
HMDB01192	Diadenosine pentaphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8?,11-,12-,13-,14-,19?,20-/m1/s1
HMDB59340	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,10-12,14-20,24,29-31,36,40-42,49-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB01199	N2-Succinyl-L-ornithine	NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O	InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
HMDB01198	Leukotriene C4	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O	InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
HMDB59343	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,44-46,48-50,53,55-60,62,65,68-70,72,74,89-91,96H,5-8,10-12,14-20,29-32,41-43,47,51-52,54,61,63-64,66-67,71,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB09436	PE(20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,45H,3-5,7,9-11,13,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,27-25-/t45-/m1/s1
HMDB09437	PE(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,45H,3-5,7,9-10,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-/t45-/m1/s1
HMDB09434	PE(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,30,32,43H,3-4,9-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1
HMDB09435	PE(20:4(8Z,11Z,14Z,17Z)/22:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,45H,3-5,7,9-11,13,15-17,19,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,27-25-/t45-/m1/s1
HMDB09432	PE(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,30,32,43H,3-4,6,8-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1
HMDB09433	PE(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,43H,3-4,9-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t43-/m1/s1
HMDB09430	PE(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,30,32,43H,3-4,6,8-10,12,14-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1
HMDB09431	PE(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,43H,3-4,6,8-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t43-/m1/s1
HMDB04611	7a-Hydroxydehydroepiandrosterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C	InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1
HMDB04610	Phytosphingosine	CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO	InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1
HMDB01220	Prostaglandin E2	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
HMDB01227	5-Thymidylic acid	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O	InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
HMDB09438	PE(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,45H,3-5,7,9-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t45-/m1/s1
HMDB09439	PE(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,34,36,45H,3-5,7,9-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-/m1/s1
HMDB30937	5-Hexatriacontanone	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC	InChI=1S/C36H72O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36(37)34-6-4-2/h3-35H2,1-2H3
HMDB30936	5,8,12-Trihydroxy-9-octadecenoic acid	CCCCCCC(O)C\C=C\C(O)CCC(O)CCCC(O)=O	InChI=1S/C18H34O5/c1-2-3-4-5-8-15(19)9-6-10-16(20)13-14-17(21)11-7-12-18(22)23/h6,10,15-17,19-21H,2-5,7-9,11-14H2,1H3,(H,22,23)/b10-6+
HMDB30935	9,10,13-Trihydroxystearic acid	CCCCCC(O)CCC(O)C(O)CCCCCCCC(O)=O	InChI=1S/C18H36O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23)
HMDB30934	Triglochinin	OCC1OC(O\C(C#N)=C(/CC(O)=O)\C=C\C(O)=O)C(O)C(O)C1O	InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1+,7-6-
HMDB30933	Avocadynofuran	C#CCCCCCCCCCCCC1=CC=CO1	InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h1,13,15-16H,3-12,14H2
HMDB30932	Avocadenofuran	C=CCCCCCCCCCCCC1=CC=CO1	InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,13,15-16H,1,3-12,14H2
HMDB30931	(E)-2-Tridecene-4,6,8-triyn-1-ol	CCCCC#CC#CC#C\C=C\CO	InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-4,13H2,1H3/b12-11+
HMDB30930	1-Tridecene	CCCCCCCCCCCC=C	InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
HMDB40703	Pulcherosine	NC(CC1=CC=C(OC2=C(O)C(=CC(CC(N)C(O)=O)=C2)C2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O	InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)
HMDB40702	Sugetriol triacetate	CC1C(CC2C(OC(C)=O)C3=C(C)C(CC13C2(C)C)OC(C)=O)OC(C)=O	InChI=1S/C21H30O6/c1-10-17(26-13(4)23)9-21-11(2)16(25-12(3)22)8-15(20(21,6)7)19(18(10)21)27-14(5)24/h11,15-17,19H,8-9H2,1-7H3
HMDB40701	9-Hydroxy-7-megastigmen-3-one; O-b-D-Glucopyranoside	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)CC(=O)CC1(C)C	InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,10-11,13-18,20,22-24H,7-9H2,1-4H3/b6-5+
HMDB40700	Dihydroferuperine	COC1=CC(\C=C/C=C/C(=O)N2CCCCC2)=CCC1O	InChI=1S/C17H23NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-9,13,15,19H,2,5-6,10-12H2,1H3/b7-3-,8-4+
HMDB40707	Tokinolide A	CCC\C=C1/OC(=O)C2=C1CCC1C2C23CCC=CC12C(=O)O\C3=C\CCC	InChI=1S/C24H28O4/c1-3-5-9-17-15-11-12-16-20(19(15)21(25)27-17)24-14-8-7-13-23(16,24)22(26)28-18(24)10-6-4-2/h7,9-10,13,16,20H,3-6,8,11-12,14H2,1-2H3/b17-9-,18-10+
HMDB40706	Jasmonic acid; 7-Epimer, 12-hydroxy, O-b-D-glucopyranoside	OCC1OC(OCC\C=C\CC2C(CC(O)=O)CCC2=O)C(O)C(O)C1O	InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1+
HMDB30939	alpha-Triticene	CCCCCCCCCCC(=C)\C=C/C=O	InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-12-15(2)13-11-14-16/h11,13-14H,2-10,12H2,1H3/b13-11-
HMDB30938	beta-Triticene	CCCCCCCCCC\C=C\C=C/C=O	InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h11-15H,2-10H2,1H3/b12-11+,14-13-
HMDB51680	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,44,47,62H,4-17,19-20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,47-44-
HMDB51681	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,46,49,64H,4-17,19-20,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-,49-46-
HMDB51682	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,33-34,41,44,59H,4-17,19,22,24,26,30-32,35-40,42-43,45-58H2,1-3H3/b21-18-,23-20-,28-25-,33-27-,34-29-,44-41-
HMDB51683	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,32-33,38,40-41,43,58H,4-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-
HMDB48138	TG(14:1(9Z)/20:3n6/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14-19,23-24,26-27,48H,4-13,20-22,25,28-47H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-
HMDB48139	TG(14:1(9Z)/20:3n6/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27,29,50H,4-14,17,21-22,26,28,30-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,29-27-
HMDB51686	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,37,42-43,45-46,60H,4-16,19,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB51687	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,36,44,47,62H,4-15,17,20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,36-27-,47-44-
HMDB48134	TG(14:1(9Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,30-31,37,40,53H,4-6,8-9,11-13,20-22,27-29,32-36,38-39,41-52H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,31-30-,40-37-
HMDB48135	TG(14:1(9Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,29-30,33,36,55H,4-6,8-9,11-13,20-22,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,36-33-
HMDB48136	TG(14:1(9Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,29-30,33,36,42,45,55H,4-6,8-9,11-13,20-22,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,36-33-,45-42-
HMDB48137	TG(14:1(9Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(56)59-52(51-58-53(55)47-44-41-38-35-32-21-18-15-12-9-6-3)50-57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,52H,4-12,14,17,19-21,23,25-51H2,1-3H3/b16-13-,18-15-,24-22-
HMDB48130	TG(14:1(9Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,29-30,33,36,42,45,55H,4-13,20-22,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,36-33-,45-42-
HMDB48131	TG(14:1(9Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,13,15-18,20,22,24-25,27,51H,4-7,9-10,12,14,19,21,23,26,28-50H2,1-3H3/b11-8-,16-13-,18-15-,20-17-,24-22-,27-25-
HMDB48132	TG(14:1(9Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,13,15-18,20,22,24-25,27,32,35,51H,4-7,9-10,12,14,19,21,23,26,28-31,33-34,36-50H2,1-3H3/b11-8-,16-13-,18-15-,20-17-,24-22-,27-25-,35-32-
HMDB48133	TG(14:1(9Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,30-31,53H,4-6,8-9,11-13,20-22,27-29,32-52H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,31-30-
HMDB43243	TG(15:0/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,51H,4-6,8-9,11-15,17-18,21-22,24,26,28-50H2,1-3H3/b10-7-,19-16-,23-20-,27-25-
HMDB43242	TG(15:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,33,36,42,45,55H,4-15,17-18,21-22,24,26,28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,36-33-,45-42-
HMDB43241	TG(15:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,33,36,55H,4-15,17-18,21-22,24,26,28,31-32,34-35,37-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,36-33-
HMDB43240	TG(15:0/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,55H,4-15,17-18,21-22,24,26,28-54H2,1-3H3/b19-16-,23-20-,27-25-
HMDB43247	TG(15:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,33,36,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,36-33-
HMDB43246	TG(15:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30-31,37,40,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,40-37-
HMDB43245	TG(15:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30-31,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,32-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-
HMDB43244	TG(15:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,32,35,51H,4-6,8-9,11-15,17-18,21-22,24,26,28-31,33-34,36-50H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,35-32-
HMDB49667	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30-32,37-38,40-41,46,49,58H,4-6,8-9,11-15,18,22-23,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-
HMDB49666	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,31-32,34,38,41,47,50,59H,4-6,8-9,11-15,17-18,22,26-27,30,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,41-38-,50-47-
HMDB43249	TG(15:0/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB43248	TG(15:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,33,36,42,45,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,36-33-,45-42-
HMDB49663	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB49662	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,39,42,48,51,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,42-39-,51-48-
HMDB49661	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,27-28,30-31,33,37,40,46,49,58H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,33-27-,40-37-,49-46-
HMDB49660	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28,30-31,37,40,46,49,58H,4-6,8-9,11-15,17-18,22,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,31-30-,40-37-,49-46-
HMDB47953	TG(14:1(9Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,51H,4-14,16-17,19,21-22,24-50H2,1-3H3/b18-15-,23-20-
HMDB47952	TG(14:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,32,35,41,44,54H,4-6,8-9,11-14,17,21-22,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,35-32-,44-41-
HMDB47951	TG(14:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,32,35,54H,4-6,8-9,11-14,17,21-22,25,27,30-31,33-34,36-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,35-32-
HMDB47950	TG(14:1(9Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29-30,36,39,52H,4-6,8-9,11-14,17,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-,39-36-
HMDB47957	TG(14:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,50H,4-14,16-17,19-23,28-49H2,1-3H3/b18-15-,26-24-,27-25-
HMDB47956	TG(14:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,25,27,50H,4-14,16-17,20-21,23-24,26,28-49H2,1-3H3/b18-15-,22-19-,27-25-
HMDB47955	TG(14:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-25,48H,4-14,16-17,19,21-22,26-47H2,1-3H3/b18-15-,23-20-,25-24-
HMDB47954	TG(14:1(9Z)/18:1(9Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14-15,17-18,23-24,46H,4-13,16,19-22,25-45H2,1-3H3/b17-14-,18-15-,24-23-
HMDB47959	TG(14:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28-30,36,39,52H,4-14,16-17,19-23,27,31-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,28-25-,30-29-,39-36-
HMDB47958	TG(14:1(9Z)/18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28,52H,4-14,16-17,19-23,27,29-51H2,1-3H3/b18-15-,26-24-,28-25-
HMDB51976	TG(24:1(15Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,39,62H,4-7,9-10,12-16,18-19,21-24,27,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-37-
HMDB51977	TG(24:1(15Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-37-,48-45-
HMDB51974	TG(24:1(15Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,34,60H,4-7,9-10,12-16,18-19,21-24,27,29-33,35-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-
HMDB51975	TG(24:1(15Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,34,40,43,60H,4-7,9-10,12-16,18-19,21-24,27,29-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,43-40-
HMDB51972	TG(24:1(15Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,41,44,64H,4-16,18-19,21-24,27,30-33,35,37-40,42-43,45-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,44-41-
HMDB51973	TG(24:1(15Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,41,44,50,53,64H,4-16,18-19,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,44-41-,53-50-
HMDB51970	TG(24:1(15Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,39,45,48,62H,4-16,18-19,21-24,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,39-37-,48-45-
HMDB51971	TG(24:1(15Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-
HMDB51978	TG(24:1(15Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,41,44,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,44-41-
HMDB51979	TG(24:1(15Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,41,44,50,53,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,44-41-,53-50-
HMDB02759	Androsterone sulfate	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O	InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1
HMDB02752	Prostaglandin A2	CCCCC[C@H](O)\C=C\C1C=CC(=O)C1C\C=C\CCCC(O)=O	InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4+,14-12+/t16?,17-,18?/m0/s1
HMDB02757	Cysteic acid	NC(CS(O)(=O)=O)C(O)=O	InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
HMDB02755	Myricetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1	InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
HMDB41078	erythro-6,8-Dotriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C32H66O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-32(34)30-31(33)28-26-6-4-2/h31-34H,3-30H2,1-2H3
HMDB41079	(E)-S-1-Propenyl thiosulfate	C\C=C\SS(O)(=O)=O	InChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+
HMDB41072	erythro-6,8-Tritriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C33H68O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-33(35)31-32(34)29-27-6-4-2/h32-35H,3-31H2,1-2H3
HMDB41073	(6R*,8S*)-6,8-Tetratriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C34H70O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-34(36)32-33(35)30-28-6-4-2/h33-36H,3-32H2,1-2H3
HMDB41070	erythro-6,8-Tricosanediol	CCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C23H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h22-25H,3-21H2,1-2H3
HMDB41071	erythro-6,8-Heptacosanediol	CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C27H56O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h26-29H,3-25H2,1-2H3
HMDB41076	erythro-6,8-Octacosanediol	CCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C28H58O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-6-4-2/h27-30H,3-26H2,1-2H3
HMDB41077	erythro-6,8-Heneicosanediol	CCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C21H44O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h20-23H,3-19H2,1-2H3
HMDB41074	erythro-6,8-Pentatriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C35H72O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-35(37)33-34(36)31-29-6-4-2/h34-37H,3-33H2,1-2H3
HMDB41075	erythro-6,8-Pentacosanediol	CCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C25H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h24-27H,3-23H2,1-2H3
HMDB34108	Tylosin	CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)\C=C\C(\C)=C\C1COC1OC(C)C(O)C(OC)C1OC	InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+
HMDB34109	Frenolicin B	CCCC1OC2CC(=O)OC2C2=C1C(=O)C1=C(C=CC=C1O)C2=O	InChI=1S/C18H16O6/c1-2-4-10-14-15(18-11(23-10)7-12(20)24-18)16(21)8-5-3-6-9(19)13(8)17(14)22/h3,5-6,10-11,18-19H,2,4,7H2,1H3
HMDB34106	Methyl isothiocyanate	CN=C=S	InChI=1S/C2H3NS/c1-3-2-4/h1H3
HMDB34107	Chavicol	OC1=CC=C(CC=C)C=C1	InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
HMDB34104	Neferine	COC1=CC=C(CC2N(C)CCC3=C2C=C(OC2=CC(CC4N(C)CCC5=C4C=C(OC)C(OC)=C5)=CC=C2O)C(OC)=C3)C=C1	InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3
HMDB34105	Glycinol	OC1=CC=C2C(OC3C4=CC=C(O)C=C4OCC23O)=C1	InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2
HMDB34102	N-Nitrosotomatidine	CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1N=O	InChI=1S/C27H44N2O3/c1-16-7-12-27(29(15-16)28-31)17(2)24-23(32-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,30H,5-15H2,1-4H3
HMDB34103	Tomatine	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1	InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3
HMDB34100	Dianhydroaurasperone C	COC1=CC(OC)=C2C(O)=C3C(=O)C=C(C)OC3=C(C2=C1)C1=C(OC)C2=C(C=C1O)C=C1OC(C)=CC(=O)C1=C2O	InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-19(34)26(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-20(38-4)23(16)29(36)27-18(33)7-13(2)41-31(24)27/h6-11,34-36H,1-5H3
HMDB34101	Adouetine Y	CCC(C)C1NC(=O)C(NC(=O)C(CC2=CC=CC=C2)N(C)C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C1=CC=CC=C1	InChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-
HMDB44732	TG(18:0/16:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB44733	TG(18:0/16:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB44730	TG(18:0/16:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-
HMDB44731	TG(18:0/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27,30,33,38,41,54H,4-24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b27-25-,33-30-,41-38-
HMDB44736	TG(18:0/16:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,53H,4-12,14-15,17-21,23-24,26-52H2,1-3H3/b16-13-,25-22-
HMDB44737	TG(18:0/16:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,54H,4-15,17-18,20-24,26,28-29,31-32,34-53H2,1-3H3/b19-16-,27-25-,33-30-
HMDB38838	Lansiumamide C	CN(CCC1=CC=CC=C1)C(=O)\C=C/C1=CC=CC=C1	InChI=1S/C18H19NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3/b13-12-
HMDB38839	1-(m-Methoxycinnamoyl)pyrrolidine	COC1=CC(\C=C\C(=O)N2CCCC2)=CC=C1	InChI=1S/C14H17NO2/c1-17-13-6-4-5-12(11-13)7-8-14(16)15-9-2-3-10-15/h4-8,11H,2-3,9-10H2,1H3/b8-7+
HMDB38836	Solanocardinol	CC1CNC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)OC2(O)C1	InChI=1S/C27H45NO3/c1-15-13-27(30)24(28-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,28-30H,5-14H2,1-4H3
HMDB38837	(R)-Mahanine	CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2C)C2=CC=C(O)C=C2N1	InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-18-21-19(12-15(3)22(18)26-23)17-8-7-16(25)13-20(17)24-21/h6-9,11-13,24-25H,5,10H2,1-4H3
HMDB38834	(2E)-Piperamide-C5:1	O=C(\C=C\CCC1=CC=C2OCOC2=C1)N1CCCC1	InChI=1S/C16H19NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h2,6-8,11H,1,3-5,9-10,12H2/b6-2+
HMDB38835	(E)-1-Cinnamoylpyrrolidine	O=C(\C=C/C1=CC=CC=C1)N1CCCC1	InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8-
HMDB38832	2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI	CN1C(O)CC2=CC=C(C=C2)N(C)C(O)CC2=CC=C1C=C2	InChI=1S/C18H22N2O2/c1-19-15-7-3-14(4-8-15)12-18(22)20(2)16-9-5-13(6-10-16)11-17(19)21/h3-10,17-18,21-22H,11-12H2,1-2H3
HMDB38833	Murrayamine A	CC1=CC2=C(NC3=CC(O)=CC=C23)C2=C1OC(C)(C)C=C2	InChI=1S/C18H17NO2/c1-10-8-14-12-5-4-11(20)9-15(12)19-16(14)13-6-7-18(2,3)21-17(10)13/h4-9,19-20H,1-3H3
HMDB38830	Theasinensin F	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1C1=C(O)C(O)=C(O)C=C1C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H34O21/c45-16-5-23(47)20-12-34(64-43(60)14-1-27(51)37(56)28(52)2-14)41(62-32(20)7-16)19-10-26(50)25(49)9-18(19)36-22(11-31(55)39(58)40(36)59)42-35(13-21-24(48)6-17(46)8-33(21)63-42)65-44(61)15-3-29(53)38(57)30(54)4-15/h1-11,34-35,41-42,45-59H,12-13H2
HMDB38831	(-)-Epigallocatechin 3-cinnamate	OC1=CC2=C(C[C@@H](OC(=O)\C=C\C3=CC=CC=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1	InChI=1S/C24H20O8/c25-15-10-17(26)16-12-21(31-22(29)7-6-13-4-2-1-3-5-13)24(32-20(16)11-15)14-8-18(27)23(30)19(28)9-14/h1-11,21,24-28,30H,12H2/b7-6+/t21-,24-/m1/s1
HMDB33778	Elemicin	COC1=CC(CC=C)=CC(OC)=C1OC	InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
HMDB33779	Piperic acid	OC(=O)\C=C\C=C/C1=CC2=C(OCO2)C=C1	InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1-,4-2+
HMDB33774	3-Methylpentanoic acid	CCC(C)CC(O)=O	InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
HMDB33775	Stigmasta-7,22-dien-3-ol; (3b,5a,22E,24S)-form, O-b-D-Glucopyranoside	CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C	InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+
HMDB33776	Apiole	COC1=C2OCOC2=C(OC)C(CC=C)=C1	InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
HMDB33777	3-Methyl-2-butanol	CC(C)C(C)O	InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
HMDB33770	7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone	COC1=CC2=C(C(=O)C3=CC(O)=CC=C3O2)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C25H28O14/c1-34-10-5-14-17(18(28)11-4-9(26)2-3-13(11)37-14)15(6-10)38-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)12(27)7-35-24/h2-6,12,16,19-27,29-33H,7-8H2,1H3
HMDB33771	Cyperine	COC1=CC(C)=C(OC2=CC(C)=CC(O)=C2)C(O)=C1	InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3
HMDB33772	2-Methyl-2-butanol	CCC(C)(C)O	InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
HMDB33773	Physalin A	CC12OC(=O)C3(O)CCC4C(C(O)C=C5CC=CC(=O)C45C)C4(O)OC13C(C4=O)C1(C)CC2OC(=O)C1=C	InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3
HMDB46392	TG(22:0/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,42,45,62H,4-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b21-18-,36-27-,45-42-
HMDB46393	TG(22:0/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,63H,4-14,16-17,19-23,25-26,28-62H2,1-3H3/b18-15-,27-24-
HMDB46390	TG(22:0/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25,28,68H,4-24,26-27,29-67H2,1-3H3/b28-25-
HMDB46391	TG(22:0/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,37,63H,4-20,22-23,25-29,31-36,38-62H2,1-3H3/b24-21-,37-30-
HMDB42498	TG(14:0/24:1(15Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,57H,4-13,15-16,18-22,27-56H2,1-3H3/b17-14-,25-23-,26-24-
HMDB46397	TG(22:0/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,43,46,66H,4-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,28-25-,37-34-,46-43-
HMDB46394	TG(22:0/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,64H,4-17,19-20,22-26,28-29,31-37,39-40,42-63H2,1-3H3/b21-18-,30-27-,41-38-
HMDB46395	TG(22:0/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,47,50,64H,4-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,30-27-,41-38-,50-47-
HMDB46398	TG(22:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,43,46,52,55,66H,4-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,28-25-,37-34-,46-43-,55-52-
HMDB46399	TG(22:0/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-
HMDB31682	()-2-Methylthiazolidine	CC1NCCS1	InChI=1S/C4H9NS/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3
HMDB31683	xi-Dihydro-5-octyl-2(3H)-furanone	CCCCCCCCC1CCC(=O)O1	InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
HMDB31680	1-O-beta-D-Glucopyranosyl-2,3-di-O-palmitoylglycerol	CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-42,45-47H,3-33H2,1-2H3
HMDB31681	Dihydro-5-propyl-2(3H)-furanone	CCCC1CCC(=O)O1	InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
HMDB31686	(E,E)-2,4-Octadienal	CCC\C=C\C=C\C=O	InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+
HMDB31687	1,2-Di-O-myristoyl-3-O-(6-sulfoquinovopyranosyl)glycerol	CCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H70O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(38)46-27-30(48-33(39)26-24-22-20-18-16-14-12-10-8-6-4-2)28-47-37-36(42)35(41)34(40)31(49-37)29-50(43,44)45/h30-31,34-37,40-42H,3-29H2,1-2H3,(H,43,44,45)
HMDB31684	2-Methyloctanal	CCCCCCC(C)C=O	InChI=1S/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3
HMDB31685	2,4-Nonadienal	CCCC\C=C\C=C/C=O	InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7-
HMDB31688	Hexyl glucoside	CCCCCCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3
HMDB31689	1-Hexanol, 9CI; O-[a-L-Arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C17H32O10/c1-2-3-4-5-6-24-16-15(23)13(21)12(20)10(27-16)8-25-17-14(22)11(19)9(7-18)26-17/h9-23H,2-8H2,1H3
HMDB47049	TG(24:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,37,42,45,59H,4-7,9-10,12-16,18-19,21-25,27,29-34,36,38-41,43-44,46-58H2,1-3H3/b11-8-,20-17-,28-26-,37-35-,45-42-
HMDB47048	TG(24:0/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,37,59H,4-7,9-10,12-16,18-19,21-25,27,29-34,36,38-58H2,1-3H3/b11-8-,20-17-,28-26-,37-35-
HMDB42679	TG(14:0/22:2(13Z,16Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,56H,4-15,18,21-23,28-31,33,35-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-
HMDB42678	TG(14:0/22:2(13Z,16Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,55H,4-13,15,18,20-22,27-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-
HMDB42675	TG(14:0/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,60H,4-16,18-19,21-23,28-59H2,1-3H3/b20-17-,26-24-,27-25-
HMDB38739	Licoricesaponin B2	CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	InChI=1S/C42H64O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8,20-31,34-35,43-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)
HMDB42677	TG(14:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,35,38,54H,4-15,18,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-,38-35-
HMDB42676	TG(14:0/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,31,55H,4-15,17-18,21-22,25,28-30,32-54H2,1-3H3/b19-16-,23-20-,26-24-,31-27-
HMDB42671	TG(14:0/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,30,54H,4-15,17-18,20-23,27-29,31-53H2,1-3H3/b19-16-,26-24-,30-25-
HMDB42670	TG(14:0/22:2(13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,54H,4-15,17-18,21-22,25,27-53H2,1-3H3/b19-16-,23-20-,26-24-
HMDB42673	TG(14:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,32,34,40,43,56H,4-15,17-18,20-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,26-24-,27-25-,34-32-,43-40-
HMDB42672	TG(14:0/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,56H,4-15,17-18,20-23,28-55H2,1-3H3/b19-16-,26-24-,27-25-
HMDB32799	1,3-Octanediol, 9CI, 8CI; (R)-form, 1-O-[b-D-Glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H38O12/c1-2-3-4-5-10(22)6-7-29-19-17(27)16(26)14(24)12(32-19)9-30-20-18(28)15(25)13(23)11(8-21)31-20/h10-28H,2-9H2,1H3
HMDB32798	1,3-Octanediol, 9CI, 8CI; (R)-form, 1-O-[b-D-Apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	CCCCCC(O)CCOC1OC(CO)C(C)C(O)C1OC1OCC(C)(CO)C1O	InChI=1S/C21H40O9/c1-4-5-6-7-14(24)8-9-27-19-17(16(25)13(2)15(10-22)29-19)30-20-18(26)21(3,11-23)12-28-20/h13-20,22-26H,4-12H2,1-3H3
HMDB32791	Methyl 15-cyanopentadecanoate	COC(=O)CCCCCCCCCCCCCCC#N	InChI=1S/C17H31NO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-15H2,1H3
HMDB32790	Octacosyl triacontanoate	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C58H116O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58(59)60-57-55-53-51-49-47-45-43-41-39-37-35-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-57H2,1-2H3
HMDB32793	3,4',5,7-Tetrahydroxyflavan(2-&gt;7,4-&gt;8)-3,4',5,7-tetrahydroxyflavan; (2S,2''R,3S,3''R,4S)-form, 3-O-(4-Hydroxybenzoyl)	OC1CC2=C(OC1C1=CC=C(O)C=C1)C1=C(OC3(OC4=C(C1C3OC(=O)C1=CC=C(O)C=C1)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O	InChI=1S/C37H28O12/c38-20-7-1-17(2-8-20)33-27(44)15-24-25(42)16-29-31(34(24)46-33)32-30-26(43)13-23(41)14-28(30)48-37(49-29,19-5-11-22(40)12-6-19)35(32)47-36(45)18-3-9-21(39)10-4-18/h1-14,16,27,32-33,35,38-44H,15H2
HMDB32792	3-Methyl-4-decen-1-ol, 8CI; ()-(E)-form, Ac	CCCCC\C=C\C(C)CCOC(C)=O	InChI=1S/C13H24O2/c1-4-5-6-7-8-9-12(2)10-11-15-13(3)14/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+
HMDB32795	AS 1-2	CCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC	InChI=1S/C39H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-20-17-14-12-10-8-6-4-2/h18-19,25,27,31-37,39,41-46H,3-17,20-24,26,28-30H2,1-2H3,(H,40,47)/b19-18-,27-25-
HMDB32794	AS 1-1	CCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC	InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-18-14-12-10-8-6-4-2/h17,19,24,26,30-36,38,40-45H,3-16,18,20-23,25,27-29H2,1-2H3,(H,39,46)/b19-17-,26-24-
HMDB32797	Jasmonic acid; 3-Epimer, 4,5-didehydro, Me ester	CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O	InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
HMDB32796	Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate	COC(=O)C1=CC=C(O)C(CC(O)C(C)(C)O)=C1	InChI=1S/C13H18O5/c1-13(2,17)11(15)7-9-6-8(12(16)18-3)4-5-10(9)14/h4-6,11,14-15,17H,7H2,1-3H3
HMDB37451	Diosmetin 7-O-beta-D-glucopyranoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2O	InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3
HMDB37450	Orientin; 3',7-Di-Me ether	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(OC)C=C2O	InChI=1S/C23H24O11/c1-31-14-5-9(3-4-10(14)25)13-6-11(26)17-12(27)7-15(32-2)18(22(17)33-13)23-21(30)20(29)19(28)16(8-24)34-23/h3-7,16,19-21,23-25,27-30H,8H2,1-2H3
HMDB37453	Chrysoeriol 7-rutinoside	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O	InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-8,10,19,21-30,32-37H,9H2,1-2H3
HMDB37452	Diosmetin 7-O-beta-D-glucuronopyranoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O	InChI=1S/C22H20O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)
HMDB37455	Chrysoeriol 7-O-(6''-malonyl-glucoside)	[H]OC(=O)C([H])([H])C(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(=O)C([H])=C(O3)C3=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C3[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C25H24O14/c1-35-16-4-10(2-3-12(16)26)15-7-14(28)21-13(27)5-11(6-17(21)38-15)37-25-24(34)23(33)22(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,22-27,32-34H,8-9H2,1H3,(H,29,30)/t18-,22-,23+,24-,25-/m1/s1
HMDB37454	Graveobioside B	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1O)C=C2O	InChI=1S/C27H30O15/c1-37-17-4-11(2-3-13(17)30)16-7-15(32)20-14(31)5-12(6-18(20)40-16)39-25-23(22(34)21(33)19(8-28)41-25)42-26-24(35)27(36,9-29)10-38-26/h2-7,19,21-26,28-31,33-36H,8-10H2,1H3
HMDB37457	Spinatoside	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2O[H])C2=C(OC([H])([H])[H])C(=O)C3=C(O2)C([H])=C(O[H])C(OC([H])([H])[H])=C3O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C23H22O14/c1-33-19-9(25)6-11-12(13(19)26)14(27)20(34-2)18(35-11)7-3-4-10(8(24)5-7)36-23-17(30)15(28)16(29)21(37-23)22(31)32/h3-6,15-17,21,23-26,28-30H,1-2H3,(H,31,32)/t15-,16-,17+,21-,23+/m0/s1
HMDB30488	Artonol B	CC(=O)C1=C2C(=O)OC(C)(C)C2=CC2=C1OC1=C(C(O)=CC3=C1C=CC(C)(C)O3)C2=O	InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3
HMDB30487	Artonol A	CC(=C)C1CC(=O)C2=C(C1)C(=O)C1=C(O2)C2=C(OC(C)(C)C=C2)C=C1O	InChI=1S/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3
HMDB30486	(S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran	CC(=C)C1CC2=CC(C(=O)CO)=C(O)C=C2O1	InChI=1S/C13H14O4/c1-7(2)12-4-8-3-9(11(16)6-14)10(15)5-13(8)17-12/h3,5,12,14-15H,1,4,6H2,2H3
HMDB30485	(3beta,4alpha,5alpha,23E)-4,14-Dimethylergosta-8,23-dien-3-ol	CC(C\C=C(/C)C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3	InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h9,19,21-24,27,31H,10-18H2,1-8H3/b20-9+
HMDB30484	Ampicillin	CC1(C)SC2C(NC(=O)C(N)C3=CC=CC=C3)C(=O)N2C1C(O)=O	InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)
HMDB30483	Questiomycin A	NC1=CC2=NC3=C(OC2=CC1=O)C=CC=C3	InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2
HMDB30482	Cardanolmonoene	CCCCCC\C=C\CCCCCCCC1=CC=CC(O)=C1	InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7+
HMDB30481	Agrocybin	NC(=O)C#CC#CC#CCO	InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)
HMDB30480	Aflatoxin M2	[H][C@]12OCC[C@@]1(O)C1=C3OC(=O)C4=C(CCC4=O)C3=C(OC)C=C1O2	InChI=1S/C17H14O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h6,16,20H,2-5H2,1H3/t16-,17-/m1/s1
HMDB32429	3-(Methylthio)methylthiophene	CSCC1=CSC=C1	InChI=1S/C6H8S2/c1-7-4-6-2-3-8-5-6/h2-3,5H,4H2,1H3
HMDB32428	Methylthiomethylmercaptan	CSCS	InChI=1S/C2H6S2/c1-4-2-3/h3H,2H2,1H3
HMDB32427	3-(Methylthio)hexyl acetate	CCCC(CCOC(C)=O)SC	InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3
HMDB32426	(+/-)-3-(Methylthio)heptanal	CCCCC(CC=O)SC	InChI=1S/C8H16OS/c1-3-4-5-8(10-2)6-7-9/h7-8H,3-6H2,1-2H3
HMDB32425	2-(Methylthio)ethanol	CSCCO	InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
HMDB32424	2-(4-Methyl-5-thiazolyl)ethyl propionate	CCC(=O)OCCC1=C(C)N=CS1	InChI=1S/C9H13NO2S/c1-3-9(11)12-5-4-8-7(2)10-6-13-8/h6H,3-5H2,1-2H3
HMDB32423	2-(4-Methyl-5-thiazolyl)ethyl octanoate	CCCCCCCC(=O)OCCC1=C(C)N=CS1	InChI=1S/C14H23NO2S/c1-3-4-5-6-7-8-14(16)17-10-9-13-12(2)15-11-18-13/h11H,3-10H2,1-2H3
HMDB32422	2-(4-Methyl-5-thiazolyl)ethyl isobutyrate	CC(C)C(=O)OCCC1=C(C)SC=N1	InChI=1S/C10H15NO2S/c1-7(2)10(12)13-5-4-9-8(3)14-6-11-9/h6-7H,4-5H2,1-3H3
HMDB32421	2-(4-Methyl-5-thiazolyl)ethyl hexanoate	CCCCCC(=O)OCCC1=C(C)N=CS1	InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3
HMDB32420	2-(4-Methyl-5-thiazolyl)ethyl formate	CC1=C(CCOC=O)N=CS1	InChI=1S/C7H9NO2S/c1-6-7(8-4-11-6)2-3-10-5-9/h4-5H,2-3H2,1H3
HMDB38300	Methylthiomethyl hexanoate	CCCCCC(=O)OCSC	InChI=1S/C8H16O2S/c1-3-4-5-6-8(9)10-7-11-2/h3-7H2,1-2H3
HMDB38301	4',5,7-Trihydroxyflavone; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 4'-O-b-D-glucuronopyranoside	COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC5=C(C(O)=C4)C(=O)C=C(O5)C4=CC=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=C1	InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)63-17-11-19(45)25-20(46)13-21(64-23(25)12-17)15-4-6-16(7-5-15)62-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+
HMDB38302	4',5,7-Trihydroxyflavone; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;2)-[b-D-glucuronopyranosyl-(1-&gt;3)]-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC5=C(C(O)=C4)C(=O)C=C(O5)C4=CC=C(O)C=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2OC2OC(C(O)C(O)C2O)C(O)=O)C(O)=O)=C1	InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)45)3-9-24(48)64-37-32(65-41-30(53)26(49)27(50)33(66-41)38(55)56)31(54)35(40(59)60)68-43(37)69-36-29(52)28(51)34(39(57)58)67-42(36)62-17-11-19(46)25-20(47)13-21(63-23(25)12-17)15-4-6-16(44)7-5-15/h2-13,26-37,41-46,49-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+
HMDB38303	Rhamnetin 3-sophoroside	COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)25(20(17)36)44-28-26(22(38)19(35)16(8-30)43-28)45-27-23(39)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,26-35,37-39H,7-8H2,1H3
HMDB38304	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-O-b-D-Glucopyranoside	OCCCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1	InChI=1S/C15H22O8/c16-5-1-2-8-3-4-9(18)10(6-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h3-4,6,11-21H,1-2,5,7H2
HMDB38305	3-Methylbutyl 2-oxopropanoate	CC(C)CCOC(=O)C(C)=O.CC(C)CCOC(=O)C(O)=C	InChI=1S/2C8H14O3/c2*1-6(2)4-5-11-8(10)7(3)9/h6H,4-5H2,1-3H3;6,9H,3-5H2,1-2H3
HMDB38306	5,6-Epoxy-7-megastigmene-3,9-diol; (3b,5a,6a,7E,9R)-form, 9-O-b-D-Glucopyranoside	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C12OC1(C)CC(O)CC2(C)C	InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+
HMDB38307	Cetyl myristoleate	CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12H,3-9,11,13-29H2,1-2H3/b12-10-
HMDB38308	xi-3-Methylheptacosane	CCCCCCCCCCCCCCCCCCCCCCCCC(C)CC	InChI=1S/C28H58/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(3)5-2/h28H,4-27H2,1-3H3
HMDB38309	xi-3-Methylpentacosane	CCCCCCCCCCCCCCCCCCCCCCC(C)CC	InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3
HMDB30155	Austalide I	COC1=C2CC3C(C)(CC(OC(C)=O)C4C3(C)CCC(=O)OC4(C)C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C27H34O8/c1-13-16-12-32-24(30)20(16)22(31-7)15-10-18-26(5)9-8-19(29)34-25(3,4)23(26)17(33-14(2)28)11-27(18,6)35-21(13)15/h17-18,23H,8-12H2,1-7H3
HMDB30154	Austalide G	COC(=O)CCC1(C)C2CC3=C(OC)C4=C(COC4=O)C(C)=C3OC2(C)CC(OC(C)=O)C1C(C)(C)O	InChI=1S/C28H38O9/c1-14-17-13-35-25(31)21(17)23(34-8)16-11-19-27(5,10-9-20(30)33-7)24(26(3,4)32)18(36-15(2)29)12-28(19,6)37-22(14)16/h18-19,24,32H,9-13H2,1-8H3
HMDB30157	Austalide K	COC1=C2CC3C(C)(CCC4C(C)(C)C(=O)CCC34C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C25H32O5/c1-13-15-12-29-22(27)19(15)21(28-6)14-11-17-24(4)9-8-18(26)23(2,3)16(24)7-10-25(17,5)30-20(13)14/h16-17H,7-12H2,1-6H3
HMDB30156	Austalide J	COC1=C2CC3C(C)(CCC4(O)C3(C)CCC(=O)OC4(C)C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C25H32O7/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)31-22(2,3)25(23,28)10-9-24(16,5)32-19(13)14/h16,28H,7-12H2,1-6H3
HMDB30151	beta-Sitosterol acetate	CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C	InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3
HMDB30150	Jasmine ketolactone	O=C1CCC2CC(=O)OCC\C=C/CC12	InChI=1S/C12H16O3/c13-11-6-5-9-8-12(14)15-7-3-1-2-4-10(9)11/h1-2,9-10H,3-8H2/b2-1-
HMDB30153	Austalide H	COC(=O)CCC1(C)C2CC3=C(OC)C4=C(COC4=O)C(C)=C3OC2(C)CC(O)C1C(C)(C)O	InChI=1S/C26H36O8/c1-13-15-12-33-23(29)19(15)21(32-7)14-10-17-25(4,9-8-18(28)31-6)22(24(2,3)30)16(27)11-26(17,5)34-20(13)14/h16-17,22,27,30H,8-12H2,1-7H3
HMDB30152	4'-Hydroxy-5,7-dimethoxyflavan	COC1=CC(OC)=C2CCC(OC2=C1)C1=CC=C(O)C=C1	InChI=1S/C17H18O4/c1-19-13-9-16(20-2)14-7-8-15(21-17(14)10-13)11-3-5-12(18)6-4-11/h3-6,9-10,15,18H,7-8H2,1-2H3
HMDB59358	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h11-12,15-16,21-28,33-40,45-52,57-64,69-71,73-75,91-93,98H,5-10,13-14,17-20,29-32,41-44,53-56,65-68,72,76-90H2,1-4H3,(H,103,104)(H,105,106)/b15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-/t91?,92-,93-/m1/s1
HMDB59359	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-56,58,64,68,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB30159	3,3',4',5,6,7,8-Heptahydroxyflavone	OC1=CC=C(C=C1O)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C(O)=C2O	InChI=1S/C15H10O9/c16-5-2-1-4(3-6(5)17)14-12(22)9(19)7-8(18)10(20)11(21)13(23)15(7)24-14/h1-3,16-18,20-23H
HMDB30158	Austalide L	COC1=C2CC3C(C)(CCC4(O)C(C)(C)C(=O)CCC34C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C25H32O6/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)22(2,3)25(23,28)10-9-24(16,5)31-19(13)14/h16,28H,7-12H2,1-6H3
HMDB14291	Phosphatidylserine	CCCC(=O)O[C@H](COC(=O)CC)COP(O)(=O)OC[C@H](N)C(O)=O	InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1
HMDB08282	PC(20:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1
HMDB08283	PC(20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/b22-20-/t48-/m1/s1
HMDB08280	PC(20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,46H,6-8,10,12-14,16,18-20,22,24-26,28,30-45H2,1-5H3/b11-9-,17-15-,23-21-,29-27-/t46-/m1/s1
HMDB08281	PC(20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,46H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-45H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08286	PC(20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,37,39,48H,6-13,15,17-19,21,23-24,26,28-30,32,34-36,38,40-47H2,1-5H3/b16-14-,22-20-,27-25-,33-31-,39-37-/t48-/m1/s1
HMDB08287	PC(20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-/t48-/m1/s1
HMDB08284	PC(20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,48H,6-13,15,17-19,21,23-47H2,1-5H3/b16-14-,22-20-/t48-/m1/s1
HMDB08285	PC(20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,48H,6-13,15,17-19,21,23-24,26,28-30,32,34-47H2,1-5H3/b16-14-,22-20-,27-25-,33-31-/t48-/m1/s1
HMDB08288	PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,37,39,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,39-37-/t48-/m1/s1
HMDB08289	PC(20:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1
HMDB50049	TG(18:1(9Z)/20:2n6/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31,33,35,57H,4-13,15,18,20-22,24,29-30,32,34,36-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,31-27-,35-33-
HMDB50048	TG(18:1(9Z)/20:2n6/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-27,30,56H,4-12,15,18-21,24,28-29,31-55H2,1-3H3/b16-13-,17-14-,25-22-,26-23-,30-27-
HMDB34832	Ammonium hydroxide	[NH4+].[OH-]	InChI=1S/H3N.H2O/h1H3;1H2
HMDB34833	Diammonium sulfide	[NH4+].[NH4+].[S--]	InChI=1S/2H3N.S/h2*1H3;/q;;-2/p+2
HMDB34830	Amidosulfonic acid	NS(O)(=O)=O	InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
HMDB36416	beta-Spathulene	CC1=CCC2C1C1C(CCC2=C)C1(C)C	InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,11-14H,1,6-8H2,2-4H3
HMDB36417	1-Epi-alpha-gurjunene	CC1CCC2C(C3=C(C)CCC13)C2(C)C	InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3
HMDB34489	(+)-Norushinsunine N-oxide	CN1(=O)CCC2=CC3=C(OCO3)C3=C2C1C(O)C1=C3C=CC=C1	InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3
HMDB36415	Anabsinthin	CC1C2CCC3(C)OC4(C)CC5C6C7CC(C)(O)CC8C(C)C(=O)OC8C7=C(C)C6C4(C2OC1=O)C35	InChI=1S/C30H40O6/c1-12-15-7-8-28(5)23-18-11-29(6,36-28)30(23,24(15)35-26(12)32)21-14(3)19-17(20(18)21)10-27(4,33)9-16-13(2)25(31)34-22(16)19/h12-13,15-18,20-24,33H,7-11H2,1-6H3
HMDB58081	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB36413	alpha-Cubebene	CC(C)C1CCC(C)C23CC=C(C)C2C13	InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3
HMDB36410	Liriodendrin	COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1	InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3
HMDB36411	5-Hydroxy-4',7-dimethoxy-6-methylflavone	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C(C)=C(OC)C=C2O1	InChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3
HMDB34483	NIP 1	CC1(C)OC2=CC3=NON=C3C=C2[C@@H]([C@H]1O)N1CCCCC1=O	InChI=1S/C16H19N3O4/c1-16(2)15(21)14(19-6-4-3-5-13(19)20)9-7-10-11(18-23-17-10)8-12(9)22-16/h7-8,14-15,21H,3-6H2,1-2H3/t14-,15+/m0/s1
HMDB34482	MBP 1	CCCCC(=O)C1=C(O)N2C=CSC2=NC1=O	InChI=1S/C11H12N2O3S/c1-2-3-4-7(14)8-9(15)12-11-13(10(8)16)5-6-17-11/h5-6,16H,2-4H2,1H3
HMDB46800	TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35-36,41-42,44-45,62H,4-8,10-11,13-16,19,22-25,28,30-32,34,37-40,43,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB46801	TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,34,37-38,41,43,46,64H,4-8,10-11,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB34487	Lactococcin	COC(=O)C(C(=O)C(=O)NC1=C(C=C(OC)C=C1)[N+]([O-])=O)C1=NC2=C(NC1=O)C=C(C)C(C)=C2	InChI=1S/C22H20N4O8/c1-10-7-14-15(8-11(10)2)25-20(28)18(23-14)17(22(30)34-4)19(27)21(29)24-13-6-5-12(33-3)9-16(13)26(31)32/h5-9,17H,1-4H3,(H,24,29)(H,25,28)
HMDB34486	Gliadin	NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C29H41N7O9/c30-18(15-16-5-7-17(37)8-6-16)27(42)35-13-1-3-21(35)25(40)33-19(9-11-23(31)38)28(43)36-14-2-4-22(36)26(41)34-20(29(44)45)10-12-24(32)39/h5-8,18-22,37H,1-4,9-15,30H2,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)(H,44,45)
HMDB34485	(23R)-Acetoxytomatine	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11NCC(C)CC1OC(C)=O	InChI=1S/C52H85NO23/c1-20-12-33(68-22(3)57)52(53-15-20)21(2)34-29(76-52)14-27-25-7-6-23-13-24(8-10-50(23,4)26(25)9-11-51(27,34)5)69-47-42(66)39(63)43(32(18-56)72-47)73-49-45(75-48-41(65)38(62)36(60)30(16-54)70-48)44(37(61)31(17-55)71-49)74-46-40(64)35(59)28(58)19-67-46/h20-21,23-49,53-56,58-66H,6-19H2,1-5H3
HMDB34484	Lycoperoside D	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1	InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3
HMDB50041	TG(18:1(9Z)/20:2n6/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,22,25-27,29-30,55H,4-12,14-15,17-21,23-24,28,31-54H2,1-3H3/b16-13-,25-22-,29-26-,30-27-
HMDB34834	Sulfur dioxide	O=S=O	InChI=1S/O2S/c1-3-2
HMDB09889	PI(20:3(8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,39,42-47,50-54H,3-10,12,14-16,20,24-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09888	PI(20:3(8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,39,42-47,50-54H,3-10,12,15,18,20-21,24-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,19-17-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09887	PI(20:3(8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,39,42-47,50-54H,3-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09886	PI(20:3(8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,37,40-45,48-52H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09885	PI(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29,31,41,44-49,52-56H,3-11,13,15-16,21-22,27-28,30,32-40H2,1-2H3,(H,57,58)/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09884	PI(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,29-32,41,44-49,52-56H,3-16,21-22,27-28,33-40H2,1-2H3,(H,57,58)/b19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09883	PI(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,27,29,39,42-47,50-54H,3-11,13,15-16,20,24-26,28,30-38H2,1-2H3,(H,55,56)/b14-12-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09882	PI(20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17-19,21-23,27,29,39,42-47,50-54H,3-16,20,24-26,28,30-38H2,1-2H3,(H,55,56)/b19-17-,21-18-,23-22-,29-27-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09881	PI(20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22-23,27,29,39,42-47,50-54H,3-13,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,55,56)/b16-14-,19-17-,23-22-,29-27-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09880	PI(20:3(5Z,8Z,11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,22-23,27,29,39,42-47,50-54H,3-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,55,56)/b19-17-,23-22-,29-27-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB47485	TG(24:0/22:2(13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,70H,4-17,19-20,22-26,28-29,31-69H2,1-3H3/b21-18-,30-27-
HMDB44669	TG(18:0/14:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB47487	TG(24:0/22:2(13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,62H,4-16,18-19,22-23,25,27,29-61H2,1-3H3/b20-17-,24-21-,28-26-
HMDB13749	2-Methylfuran	[H]C1=C([H])C([H])=C(O1)C([H])([H])[H]	InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
HMDB47486	TG(24:0/22:2(13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,60H,4-14,16,19,21-24,26,28-59H2,1-3H3/b18-15-,20-17-,27-25-
HMDB58553	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB47481	TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-7,9-10,12-16,19,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB58551	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB50046	TG(18:1(9Z)/20:2n6/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,19,22-23,26-28,30-31,56H,4-13,15-16,18,20-21,24-25,29,32-55H2,1-3H3/b17-14-,22-19-,26-23-,30-27-,31-28-
HMDB58557	CL(18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58556	CL(18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58555	CL(18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB13744	2-Methoxy-4-vinylphenol	[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C([H])[H])C([H])=C1[H]	InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
HMDB47483	TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB47482	TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB44662	TG(16:0/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,53H,4-7,9-10,12-16,18-19,21-25,27,29-52H2,1-3H3/b11-8-,20-17-,28-26-
HMDB44663	TG(16:0/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,53H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,28-26-,37-34-
HMDB47489	TG(24:0/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,38,64H,4-16,18-19,21-25,28,30-37,39-63H2,1-3H3/b20-17-,29-26-,38-27-
HMDB47488	TG(24:0/22:2(13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,64H,4-16,18-19,22-23,25,27-28,30-63H2,1-3H3/b20-17-,24-21-,29-26-
HMDB39949	Oudemansin A	CO\C=C(\C(C)C(OC)\C=C/C1=CC=CC=C1)C(=O)OC	InChI=1S/C17H22O4/c1-13(15(12-19-2)17(18)21-4)16(20-3)11-10-14-8-6-5-7-9-14/h5-13,16H,1-4H3/b11-10-,15-12-
HMDB39948	3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide	NC(=O)CCN1CC(O)C(O)C1CO	InChI=1S/C8H16N2O4/c9-7(13)1-2-10-3-6(12)8(14)5(10)4-11/h5-6,8,11-12,14H,1-4H2,(H2,9,13)
HMDB54347	TG(22:2(13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,34,39,42,56H,4-7,9-10,12-15,18,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-32-,42-39-
HMDB39941	Populnin; 3-O-[4-Hydroxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;2)-a-L-rhamnopyranoside]	CC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C42H46O22/c1-16-28(48)34(54)39(64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-7-19(44)8-3-17)42(58-16)63-38-31(51)27-22(46)12-21(59-40-35(55)32(52)29(49)24(14-43)61-40)13-23(27)60-37(38)18-5-9-20(45)10-6-18/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+
HMDB39940	S-2-Propenyl 2-propene-1-sulfonothioate	C=CCSS(=O)(=O)CC=C	InChI=1S/C6H10O2S2/c1-3-5-9-10(7,8)6-4-2/h3-4H,1-2,5-6H2
HMDB39943	Ginsenoside Rh8	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C	InChI=1S/C36H60O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20,22-31,37,39-43H,9,11-18H2,1-8H3
HMDB39942	Notoginsenoside L	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-42(66)38(62)35(59)27(19-54)70-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-41(65)34(58)26(57)21-68-46/h10,24-48,54-67H,9,11-22H2,1-8H3
HMDB39945	Notoginsenoside N	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)34(57)32(55)26(19-50)64-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-41-38(61)35(58)39(27(20-51)65-41)66-42-36(59)33(56)31(54)25(18-49)63-42/h10,22-43,49-61H,9,11-20H2,1-8H3
HMDB39944	Notoginsenoside M	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)35(57)32(54)26(19-50)65-43)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)36(58)33(55)27(66-42)20-62-41-37(59)34(56)31(53)25(18-49)64-41/h10,22-43,49-61H,9,11-20H2,1-8H3
HMDB39947	Pisumionoside	CC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+
HMDB39946	Centellasaponin C	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5C(O)CC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H78O19/c1-19-11-12-48(14-13-46(7)22(28(48)20(19)2)9-10-27-45(6)15-24(51)39(60)44(4,5)38(45)23(50)16-47(27,46)8)43(61)67-42-35(58)32(55)30(53)26(65-42)18-62-40-36(59)33(56)37(25(17-49)64-40)66-41-34(57)31(54)29(52)21(3)63-41/h9,19-21,23-42,49-60H,10-18H2,1-8H3
HMDB48079	TG(14:1(9Z)/18:2(9Z,12Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-24,27,29,52H,4-12,14,17,19,21,25-26,28,30-51H2,1-3H3/b16-13-,18-15-,23-20-,24-22-,29-27-
HMDB29368	Saxitoxin	NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22N=C(N)N[C@@H]12	InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
HMDB29369	Neosaxitoxin	NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]22N(CCC2(O)O)C(=N)N1O	InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
HMDB42225	TG(14:0/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,60H,4-23,25,27-59H2,1-3H3/b26-24-
HMDB29364	7-Hydroxy-2-methylisoflavone; Ac	CC(=O)OC1=CC=C2C(=O)C(=C(C)OC2=C1)C1=CC=CC=C1	InChI=1S/C18H14O4/c1-11-17(13-6-4-3-5-7-13)18(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3
HMDB29365	Moupinamide	COC1=CC(\C=C\C(=O)NCCC2=CC=C(O)C=C2)=CC=C1O	InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
HMDB29366	N-[2-(4-Hydroxyphenyl)ethyl]benzamide	OC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1	InChI=1S/C15H15NO2/c17-14-8-6-12(7-9-14)10-11-16-15(18)13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,16,18)
HMDB29367	Sanguinarine	C[N+]1=CC2=C(C=CC3=C2OCO3)C2=C1C1=C(C=C2)C=C2OCOC2=C1	InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
HMDB29360	Isorheagenine	CN1CCC2=C(C=C3OCOC3=C2)C2OC(O)C3=C(C=CC4=C3OCO4)C12	InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)18-17(21)11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3
HMDB29361	Alkaloid RC	CN1CCC2=C(C=C3OCOC3=C2)C2OC(OC3OC(CO)C(O)C(O)C3O)C3=C(C=CC4=C3OCO4)C12	InChI=1S/C26H29NO11/c1-27-5-4-11-6-15-16(34-9-33-15)7-13(11)23-19(27)12-2-3-14-24(35-10-32-14)18(12)25(37-23)38-26-22(31)21(30)20(29)17(8-28)36-26/h2-3,6-7,17,19-23,25-26,28-31H,4-5,8-10H2,1H3
HMDB29362	1,3-Octanediol, 9CI, 8CI; (R)-form, 1-O-b-D-Glucopyranoside	CCCCCC(O)CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H28O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h9-19H,2-8H2,1H3
HMDB29363	Glaucamine	COC1=CC2=C(C=C1OC)C1OC(O)C3=C(C=CC4=C3OCO4)C1N(C)CC2	InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3
HMDB45292	TG(18:0/18:3(9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,35,60H,4-8,10-11,13-17,19-20,22-26,28-34,36-59H2,1-3H3/b12-9-,21-18-,35-27-
HMDB48071	TG(14:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,26,28,51H,4-14,16-17,21,24-25,27,29-50H2,1-3H3/b18-15-,22-19-,23-20-,28-26-
HMDB30828	2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1-propanol	COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C(OC)=C1	InChI=1S/C23H30O7/c1-8-9-15-10-17(25-3)23(18(11-15)26-4)30-14(2)21(24)16-12-19(27-5)22(29-7)20(13-16)28-6/h8,10-14,21,24H,1,9H2,2-7H3
HMDB00868	Xylulose 5-phosphate	OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
HMDB00869	Uroporphyrin II	COC(=O)CCC1=C(CCC(=O)OC)/C2=C/C3=N/C(=C\C4=C(C(=O)OC)C(CCC(=O)OC)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(=O)OC)=C4CC(=O)OC)/C(CCC(=O)OC)=C3CC(=O)OC	InChI=1S/C48H54N4O16/c1-61-40(53)14-9-25-26(10-15-41(54)62-2)33-22-37-31(20-46(59)67-7)28(12-17-43(56)64-4)35(51-37)24-39-47(48(60)68-8)29(13-18-44(57)65-5)36(52-39)23-38-30(19-45(58)66-6)27(11-16-42(55)63-3)34(50-38)21-32(25)49-33/h21-24,49,52H,9-20H2,1-8H3/b32-21-,33-22-,34-21-,35-24-,36-23-,37-22-,38-23-,39-24-
HMDB00866	N-Acetyl-L-tyrosine	CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
HMDB00867	Ribonic acid	OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O	InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1
HMDB00865	Muricholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(O)C(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21?,22?,23-,24-/m1/s1
HMDB00863	Isopropyl alcohol	CC(C)O	InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
HMDB00860	Phenylpropionylglycine	OC(=O)CNC(=O)CCC1=CC=CC=C1	InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
HMDB42010	rutaecarpine	O=C1N2CCC3=C(NC4=CC=CC=C34)C2=NC2=CC=CC=C12	InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
HMDB45298	TG(18:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,31-32,34,40,43,56H,4-8,10-11,13-17,19-20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,34-32-,43-40-
HMDB43374	TG(15:0/24:1(15Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,57H,4-19,21-22,24,26,28-56H2,1-3H3/b23-20-,27-25-
HMDB45299	TG(18:0/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,33,58H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-57H2,1-3H3/b12-9-,21-18-,28-25-,33-27-
HMDB53076	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,35-36,38-39,54H,4-6,8-9,11-15,22-24,31-34,37,40-53H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,39-36-
HMDB14575	Lindane	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl	InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+
HMDB14574	Cefpiramide	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)C1=C(O)C=C(C)N=C1)C1=CC=C(O)C=C1)C(O)=O	InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1
HMDB14577	Prochlorperazine	CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1	InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
HMDB14576	Trifluridine	OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)F	InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
HMDB14571	Triprolidine	CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1	InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+
HMDB14570	Famciclovir	CC(=O)OCC(CCN1C=NC2=CN=C(N)N=C12)COC(C)=O	InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)
HMDB14573	Carboprost Tromethamine	OCC([NH3+])(CO)CO.CCCCC[C@@](O)(C)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)[O-]	InChI=1S/C21H36O5.C4H11NO3/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19+,21+;/m1./s1
HMDB14572	Streptozocin	CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1
HMDB46929	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB14578	Cyproheptadine	CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12	InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
HMDB46928	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB58106	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-38,40-41,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB46285	TG(22:0/15:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-
HMDB52159	TG(24:1(15Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,35-36,41,44,61H,4-17,19,22,24,26,30-34,37-40,42-43,45-60H2,1-3H3/b21-18-,23-20-,28-25-,35-27-,36-29-,44-41-
HMDB52158	TG(24:1(15Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-30,36-37,62H,4-19,22,26-27,31-35,38-61H2,1-3H3/b23-20-,24-21-,28-25-,36-29-,37-30-
HMDB52155	TG(24:1(15Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,47,50,56,59,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-,59-56-
HMDB52154	TG(24:1(15Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,47,50,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB52157	TG(24:1(15Z)/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C70H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-44-47-50-53-56-59-62-68(71)74-65-67(76-70(73)64-61-58-55-52-49-46-41-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,41,67H,4-20,22-23,27,31-40,42-66H2,1-3H3/b24-21-,28-25-,29-26-,41-30-
HMDB52156	TG(24:1(15Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,67H,4-24,27,30-66H2,1-3H3/b28-25-,29-26-
HMDB52151	TG(24:1(15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,40,46,49,66H,4-8,10-11,13-17,19-20,22-24,30-39,41-45,47-48,50-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,40-27-,49-46-
HMDB52150	TG(24:1(15Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,40,66H,4-8,10-11,13-17,19-20,22-24,30-39,41-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,40-27-
HMDB52153	TG(24:1(15Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,42,45,51,54,68H,4-8,10-11,13-17,19-20,22-24,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,45-42-,54-51-
HMDB52152	TG(24:1(15Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,42,45,68H,4-8,10-11,13-17,19-20,22-24,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,45-42-
HMDB59501	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,70,72,74,76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-69,71,73,75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,76-72-/t91?,92-,93-/m1/s1
HMDB58202	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-20,22-24,29,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB41255	2-Butanol, 9CI; (S)-form, O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CCC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C15H28O10/c1-3-7(2)24-13-11(19)10(18)9(17)8(25-13)4-22-14-12(20)15(21,5-16)6-23-14/h7-14,16-21H,3-6H2,1-2H3
HMDB46923	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB46922	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB49808	TG(18:1(9Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,33,59H,4-13,15-16,18-22,24-25,28-32,34-58H2,1-3H3/b17-14-,26-23-,33-27-
HMDB41259	1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC=C(C)C)C(O)=C(OC)C=C1O2	InChI=1S/C25H28O6/c1-13(2)7-9-15-17(29-5)11-19-22(24(15)27)25(28)21-16(10-8-14(3)4)23(26)20(30-6)12-18(21)31-19/h7-8,11-12,26-27H,9-10H2,1-6H3
HMDB44338	TG(16:0/20:3n6/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,50H,4-14,17,20-23,26,28,30-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-
HMDB44339	TG(16:0/20:3n6/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,28,31,52H,4-15,17-18,21-22,24,27,29-30,32-51H2,1-3H3/b19-16-,23-20-,26-25-,31-28-
HMDB07078	DG(15:0/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m0/s1
HMDB07079	DG(15:0/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C38H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,36,39H,3-16,19-35H2,1-2H3/b18-17-/t36-/m0/s1
HMDB10508	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-32,34,40,43,56H,4-6,9,12-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB10509	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-33,36,39,58H,4-6,9,12-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB44337	TG(16:0/20:3n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,36,39,60H,4-16,18-19,21-25,27,29-35,37-38,40-59H2,1-3H3/b20-17-,28-26-,39-36-
HMDB10504	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-32,34,40,43,56H,4-6,9,12-15,18,21-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB10505	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-33,36,39,58H,4-6,9,12-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB07072	DG(15:0/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,34,37H,3-12,14,16-33H2,1-2H3/b15-13-/t34-/m0/s1
HMDB10507	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,54H,4-6,9,12-15,22-24,31-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
HMDB07074	DG(15:0/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,34,37H,3-10,12,14-16,19-33H2,1-2H3/b13-11-,18-17-/t34-/m0/s1
HMDB10501	TG(18:3(9Z,12Z,15Z)/18:0/18:3(9Z,12Z,15Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,54H,4-6,9,12-15,18,21-24,27,30-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-
HMDB10502	TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:3(9Z,12Z,15Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,54H,4-6,9,12-15,18,22-23,27,30-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-
HMDB10503	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,54H,4-6,9,12-15,18,21-24,31-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-
HMDB44335	TG(16:0/20:3n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,35,56H,4-16,18-19,21-25,27,29-31,33-34,36-55H2,1-3H3/b20-17-,28-26-,35-32-
HMDB54418	TG(22:2(13Z,16Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30,32,36,39,58H,4-6,8-9,11-14,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-
HMDB54419	TG(22:2(13Z,16Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30,32,36,39,44,47,58H,4-6,8-9,11-14,21-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,47-44-
HMDB54416	TG(22:2(13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,34,56H,4-7,9-10,12-14,21-23,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-
HMDB44332	TG(16:0/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,54H,4-12,14-15,17-21,23-24,26-53H2,1-3H3/b16-13-,25-22-
HMDB54414	TG(22:2(13Z,16Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,54H,4-7,9-10,12-14,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-
HMDB54415	TG(22:2(13Z,16Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,35,37,54H,4-7,9-10,12-14,21-23,27-29,31-34,36,38-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-,37-35-
HMDB54412	TG(22:2(13Z,16Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30,32,36,39,58H,4-14,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-
HMDB54413	TG(22:2(13Z,16Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30,32,36,39,44,47,58H,4-14,21-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,47-44-
HMDB54410	TG(22:2(13Z,16Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,65H,4-16,18-19,21-25,27-28,30-64H2,1-3H3/b20-17-,29-26-
HMDB44333	TG(16:0/20:3n6/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19,25-26,28,31,52H,4-15,17-18,20-24,27,29-30,32-51H2,1-3H3/b19-16-,26-25-,31-28-
HMDB44330	TG(16:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,35,38,57H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,38-35-
HMDB44331	TG(16:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,35,38,44,47,57H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,38-35-,47-44-
HMDB59504	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,71-72,75-76,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-70,73-74,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,75-71-,76-72-/t92-,93-/m1/s1
HMDB56924	CL(18:0/16:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h27,31,71-73,78H,5-26,28-30,32-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-/t71?,72-,73-/m1/s1
HMDB54364	TG(22:2(13Z,16Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,56H,4-7,9-10,12-15,18,21-24,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-
HMDB56926	CL(18:0/16:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h35,38,73-75,80H,5-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b38-35-/t73?,74-,75-/m1/s1
HMDB44595	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,36-37,40,42,45,58H,4-6,8-9,11-15,17-18,20-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB56920	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-54,56-58,64-65,68-69,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,55,59-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-/t85?,86-,87-/m1/s1
HMDB56921	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB56922	CL(18:0/16:0/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H150O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h71-73,78H,5-70H2,1-4H3,(H,83,84)(H,85,86)/t72-,73-/m1/s1
HMDB54365	TG(22:2(13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,36,39,56H,4-7,9-10,12-15,18,21-24,28-30,32-35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,39-36-
HMDB58948	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,66,70,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB58949	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,44-50,55-57,59-61,68-69,72-73,88-90,95H,5-8,11-12,15-20,24,29-31,36,41-43,51-54,58,62-67,70-71,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB56928	CL(18:0/16:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,44,52,56,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB54366	TG(22:2(13Z,16Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,58H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-
HMDB54367	TG(22:2(13Z,16Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,41,44,58H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-,44-41-
HMDB54360	TG(22:2(13Z,16Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-
HMDB57738	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-37,40-44,49-50,53-54,61,65,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,38-39,45-48,51-52,55-60,62-64,66-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-/t81?,82-,83-/m1/s1
HMDB54361	TG(22:2(13Z,16Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,60H,4-15,18,21-24,29-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-
HMDB12624	2-Hydroxyestrone-4-S-glutathione	C[C@]12CCC3C(CCC4=C3C=C(O)C(O)=C4SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C1CCC2=O	InChI=1S/C28H37N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)33)2-3-15-16(13)10-20(32)24(37)25(15)41-12-19(26(38)30-11-23(35)36)31-22(34)7-5-18(29)27(39)40/h10,13-14,17-19,32,37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,34)(H,35,36)(H,39,40)/t13?,14?,17?,18-,19-,28+/m1/s1
HMDB12623	2-Hydroxyestrone-1-S-glutathione	C[C@]12CCC3C(CCC4=C3C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)=C(O)C(O)=C4)C1CCC2=O	InChI=1S/C28H37N3O9S/c1-28-9-8-15-14(16(28)4-6-20(28)33)3-2-13-10-19(32)24(37)25(23(13)15)41-12-18(26(38)30-11-22(35)36)31-21(34)7-5-17(29)27(39)40/h10,14-18,32,37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,34)(H,35,36)(H,39,40)/t14?,15?,16?,17-,18-,28+/m1/s1
HMDB12622	2-Hydroxyestrone sulfate	C[C@]12CCC3C(CCC4=C3C=C(O)C(OS([O-])(=O)=O)=C4)C1CCC2=O	InChI=1S/C18H22O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,19H,2-7H2,1H3,(H,21,22,23)/p-1/t11?,12?,14?,18-/m0/s1
HMDB54363	TG(22:2(13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,40,46,49,60H,4-15,18,21-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-38-,49-46-
HMDB49802	TG(18:1(9Z)/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34,60H,4-25,28,30-33,35-59H2,1-3H3/b29-26-,34-27-
HMDB48738	TG(16:1(9Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,35,38,60H,4-7,9-10,12-16,18-19,22-23,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,38-35-
HMDB48739	TG(16:1(9Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,35,38,44,47,60H,4-7,9-10,12-16,18-19,22-23,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,38-35-,47-44-
HMDB48736	TG(16:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-
HMDB48737	TG(16:1(9Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,39,42,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-,42-39-
HMDB48734	TG(16:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,35,40,43,62H,4-16,18-19,22-23,29-32,34,36-39,41-42,44-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-33-,43-40-
HMDB48735	TG(16:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,35,40,43,49,52,62H,4-16,18-19,22-23,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-33-,43-40-,52-49-
HMDB48732	TG(16:1(9Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,35,38,44,47,60H,4-16,18-19,22-23,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,38-35-,47-44-
HMDB48733	TG(16:1(9Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,62H,4-16,18-19,22-23,29-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-
HMDB48730	TG(16:1(9Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,59H,4-13,15-16,18-20,22,28-58H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB03551	Carbamic acid	NC(O)=O	InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
HMDB06851	Delta7-Avenasterol	C\C=C(\CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
HMDB49060	TG(16:1(9Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-25,54H,4-12,14-15,17-20,23,26-53H2,1-3H3/b16-13-,24-21-,25-22-
HMDB06853	3-Butyn-1-al	O=CCC#C	InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2
HMDB06852	5-Dehydroavenasterol	C\C=C(/C(C)C)CC[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25?,26?,27?,28+,29-/m1/s1
HMDB06855	(S)-2-Acetolactate	CC(=O)[C@](C)(O)C(O)=O	InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1
HMDB49064	TG(16:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-
HMDB06857	Dextrin	OC[C@H]1OC(O[C@H]2[C@H](O)[C@@H](O)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1
HMDB49066	TG(16:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-
HMDB49069	TG(16:1(9Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,39,42,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,42-39-
HMDB49068	TG(16:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,55H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-
HMDB52979	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,34-35,37-38,54H,4-6,8-9,11-15,18,22-23,27,30-33,36,39-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,37-34-,38-35-
HMDB52978	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,35,38,54H,4-6,8-9,11-15,18,22-23,27,30-34,36-37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,38-35-
HMDB52973	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,30,32,34,36,39,56H,4-15,18,22-23,27,29,31,33,35,37-38,40-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-
HMDB52972	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16-17,20-22,24-26,29,35,38,55H,4-12,14-15,18-19,23,27-28,30-34,36-37,39-54H2,1-3H3/b16-13-,20-17-,24-21-,25-22-,29-26-,38-35-
HMDB52971	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,34-35,37-38,54H,4-15,18,22-23,27,30-33,36,39-53H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,37-34-,38-35-
HMDB52970	TG(18:3(6Z,9Z,12Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,53H,4-16,18-19,22-23,25,27,29-32,34-35,37-52H2,1-3H3/b20-17-,24-21-,28-26-,36-33-
HMDB52977	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,30-32,36,38-39,41,45,48,58H,4-15,18,22-23,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-
HMDB52976	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,30-32,36,38-39,41,58H,4-15,18,22-23,27,29,33-35,37,40,42-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-
HMDB52975	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,32,38,41,58H,4-15,18,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,32-26-,41-38-
HMDB52974	TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,30,32,34,36,39-40,43,56H,4-15,18,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB57338	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,39-41,43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,35,38,42,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB57339	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-38,41-44,46,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35,39-40,45,47-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57336	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,37,39-41,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,35-36,38,42-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,52-48-/t79?,80-,81-/m1/s1
HMDB57337	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,37,39-41,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,35-36,38,42-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,52-48-/t79?,80-,81-/m1/s1
HMDB57334	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-34,37-38,41-44,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,35-36,39-40,45-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57335	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-/t83?,84-,85-/m1/s1
HMDB57332	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1
HMDB57333	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,36-37,39-40,43,48,52,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-35,38,41-42,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB57330	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-/t81?,82-,83-/m1/s1
HMDB57331	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1
HMDB46289	TG(22:0/15:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-
HMDB10089	PIP2(18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10088	PIP2(18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h14,16-17,19,37,40-45,48-50H,3-13,15,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b16-14-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10081	PIP2(18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h14,16-17,19,22,24,28,30,39,42-47,50-52H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10080	PIP2(18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h14,16-17,19,39,42-47,50-52H,3-13,15,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10083	PIP2(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13-14,16-17,19,22,24,28,30,39,42-47,50-52H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10082	PIP2(18:1(11Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13-14,16-17,19,22,24,39,42-47,50-52H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10085	PIP2(18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h17-18,35,38-43,46-48H,3-16,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10084	PIP2(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13-14,16-17,19,22,24,39,42-47,50-52H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10087	PIP2(18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17,19,37,40-45,48-50H,3-16,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10086	PIP2(18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h14,16-18,35,38-43,46-48H,3-13,15,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-14-,18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB31444	N-Dodecane	CCCCCCCCCCCC	InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
HMDB31445	Undecane	CCCCCCCCCCC	InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
HMDB31446	p-Isopropylphenol	CC(C)C1=CC=C(O)C=C1	InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
HMDB31447	N-Heptane	CCCCCCC	InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
HMDB31440	Linalool oxide (trans-pyranoid)	CC1(C)O[C@@](C)(CC[C@H]1O)C=C	InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
HMDB31441	Linalool oxide III	CC1(C)O[C@@](C)(CC[C@@H]1O)C=C	InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
HMDB31443	Capsicoside E	[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)C(CCC(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(OC)O2	InChI=1S/C64H106O35/c1-22(21-87-56-47(81)43(77)38(72)31(15-65)89-56)8-11-64(86-5)23(2)37-30(99-64)13-27-25-7-6-24-12-29(28(71)14-63(24,4)26(25)9-10-62(27,37)3)88-57-50(84)46(80)52(36(20-70)94-57)95-61-55(54(42(76)35(19-69)93-61)97-59-49(83)45(79)40(74)33(17-67)91-59)98-60-51(85)53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58/h23-61,65-85H,1,6-21H2,2-5H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32+,33+,34+,35+,36+,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48+,49+,50+,51+,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64?/m0/s1
HMDB31448	Glycosides	C[C@H]1O[C@@H](O[C@H]2C[C@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](CC[C@@]5(O)[C@@H]4CC[C@@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@@H]1O	InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15+,16+,17-,18-,19+,21-,22-,23-,24-,25+,26-,27-,28-,29-/m1/s1
HMDB31449	Sequoyitol	CO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3+,4-,5-,6+,7+
HMDB35534	10,12-Triacontanedione	CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C30H58O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30(32)28-29(31)26-24-22-20-10-8-6-4-2/h3-28H2,1-2H3
HMDB07817	DG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,38,40,47,50H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3/b8-6-,14-12-,20-18-,28-25-,34-32-,40-38-/t47-/m0/s1
HMDB07814	DG(24:0/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,47,50H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-46H2,1-2H3/b14-12-,20-18-,28-25-,34-32-/t47-/m0/s1
HMDB07815	DG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,38,40,47,50H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3/b14-12-,20-18-,28-25-,34-32-,40-38-/t47-/m0/s1
HMDB07812	DG(24:0/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,47,50H,3-17,19,21-46H2,1-2H3/b20-18-/t47-/m0/s1
HMDB07813	DG(24:0/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47,50H,3-11,13,15-17,19,21-46H2,1-2H3/b14-12-,20-18-/t47-/m0/s1
HMDB07810	DG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,28,30,34,36,45,48H,3-5,7,9-11,13,15-17,19,21-27,29,31-33,35,37-44H2,1-2H3/b8-6-,14-12-,20-18-,30-28-,36-34-/t45-/m0/s1
HMDB07811	DG(24:0/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h47,50H,3-46H2,1-2H3/t47-/m0/s1
HMDB35538	12,14-Octacosanedione	CCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC	InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28(30)26-27(29)24-22-20-18-16-12-10-8-6-4-2/h3-26H2,1-2H3
HMDB35539	11,13-Octacosanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC	InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-28(30)26-27(29)24-22-20-18-12-10-8-6-4-2/h3-26H2,1-2H3
HMDB07818	DG(24:0/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H100O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49,52H,3-48H2,1-2H3/t49-/m0/s1
HMDB07819	DG(24:0/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,49,52H,3-17,19,21-48H2,1-2H3/b20-18-/t49-/m0/s1
HMDB57800	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-54,56-58,64,66,68,70,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,55,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB57801	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1
HMDB57802	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB57803	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1
HMDB57804	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB57805	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB57806	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,49,51,53,55,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-48,50,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-/t82?,83-,84-/m1/s1
HMDB57807	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,63,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-62,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-/t83?,84-,85-/m1/s1
HMDB57808	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,42-47,52-54,56-58,66,70,85-87,92H,5-8,11-12,15-20,24,29-31,39-41,48-51,55,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB57809	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-54,56-58,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,55,59-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-/t85?,86-,87-/m1/s1
HMDB02363	Levuglandin E2	CCCCC[C@H](O)\C=C\[C@@H](C=O)[C@H](C\C=C/CCCC(O)=O)C(C)=O	InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1
HMDB02362	2,4-Diaminobutyric acid	NCCC(N)C(O)=O	InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
HMDB02361	Pentacosanoic acid	CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)
HMDB02360	Erythrodiol	[H][C@@]12CC(C)(C)CC[C@]1(CO)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C	InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
HMDB02367	Solanesyl-PP	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O	InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25-,41-27-,42-29-,43-31-,44-33-,45-35-
HMDB02366	Tiglylcarnitine	C\C=C(/C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+
HMDB02364	Oleanolic acid	[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
HMDB02369	9-cis-Retinoic acid	C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
HMDB02368	Nervonic acid	CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O	InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-
HMDB30317	Petasinoside	C\C=C(/C)C(=O)OC1CN2CCCC2C1COC(=O)\C=C\C1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1	InChI=1S/C28H37NO9/c1-4-16(2)27(34)38-22-14-29-13-5-6-21(29)20(22)15-35-23(30)12-9-18-7-10-19(11-8-18)37-28-26(33)25(32)24(31)17(3)36-28/h4,7-12,17,20-22,24-26,28,31-33H,5-6,13-15H2,1-3H3/b12-9+,16-4+
HMDB30316	2,2,4-Trimethyldecane	CCCCCCC(C)CC(C)(C)C	InChI=1S/C13H28/c1-6-7-8-9-10-12(2)11-13(3,4)5/h12H,6-11H2,1-5H3
HMDB30315	2,2,8-Trimethyldecane	CCC(C)CCCCCC(C)(C)C	InChI=1S/C13H28/c1-6-12(2)10-8-7-9-11-13(3,4)5/h12H,6-11H2,1-5H3
HMDB30314	2,2,9-Trimethyldecane	CC(C)CCCCCCC(C)(C)C	InChI=1S/C13H28/c1-12(2)10-8-6-7-9-11-13(3,4)5/h12H,6-11H2,1-5H3
HMDB30313	2,3,4-Trimethyldecane	CCCCCCC(C)C(C)C(C)C	InChI=1S/C13H28/c1-6-7-8-9-10-12(4)13(5)11(2)3/h11-13H,6-10H2,1-5H3
HMDB30312	Floribundine	COC1=C(O)C=C2CCN(C)C3CC4=C(C=CC=C4)C1=C23	InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3
HMDB30311	Harmine	COC1=CC2=C(C=C1)C1=C(N2)C(C)=NC=C1	InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
HMDB30310	Harmaline	COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1	InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
HMDB30319	Mukeic acid	OC(=O)C1=CC2=C(NC3=C2C=CC=C3)C(O)=C1	InChI=1S/C13H9NO3/c15-11-6-7(13(16)17)5-9-8-3-1-2-4-10(8)14-12(9)11/h1-6,14-15H,(H,16,17)
HMDB30318	(+)-Mahanimbine	CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2C)C2=CC=CC=C2N1	InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3
HMDB45762	TG(20:0/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h27,31,57H,4-26,28-30,32-56H2,1-3H3/b31-27-
HMDB45763	TG(20:0/20:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,60H,4-26,28-29,31-59H2,1-3H3/b30-27-
HMDB03012	Aniline	NC1=CC=CC=C1	InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
HMDB08045	PC(18:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,44H,6-13,15,17-19,21,23-43H2,1-5H3/b16-14-,22-20-/t44-/m1/s1
HMDB08046	PC(18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,44H,6-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b22-20-,27-25-,33-31-/t44-/m1/s1
HMDB03011	O-Acetylserine	CC(=O)OC[C@H](N)C(O)=O	InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
HMDB08040	PC(18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,42H,6-14,16,18-20,22,24-26,28,30-41H2,1-5H3/b17-15-,23-21-,29-27-/t42-/m1/s1
HMDB08041	PC(18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,42H,6-8,10,12-14,16,18-20,22,24-41H2,1-5H3/b11-9-,17-15-,23-21-/t42-/m1/s1
HMDB08042	PC(18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,42H,6-8,10,12-14,16,18-20,22,24-26,28,30-41H2,1-5H3/b11-9-,17-15-,23-21-,29-27-/t42-/m1/s1
HMDB08043	PC(18:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
HMDB08048	PC(18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,44H,6-13,15,17-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b16-14-,22-20-,27-25-,33-31-/t44-/m1/s1
HMDB08049	PC(18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,44H,6-7,9,11-13,15,17-19,21,23-24,26,28-43H2,1-5H3/b10-8-,16-14-,22-20-,27-25-/t44-/m1/s1
HMDB51318	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,34,38,40-41,43,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB51319	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,34-39,43-44,46-47,60H,4-8,10-11,13-17,19-20,22-24,31-33,40-42,45,48-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB55406	TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33-34,37,54H,4-6,9,12-15,18,22-23,28,31-32,35-36,38-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-
HMDB55407	TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33-34,37-38,41,54H,4-6,9,12-15,18,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB55404	TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H94O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,51H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-
HMDB55405	TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,32-33,35-36,52H,4-6,9,12-15,18,22-23,29-31,34,37-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,35-32-,36-33-
HMDB55402	TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,35-37,54H,4-6,9,12-14,21-23,27,31-32,34,38-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-
HMDB55403	TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,35-37,41,44,54H,4-6,9,12-14,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-
HMDB55400	TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,33,35,52H,4-6,9,12-14,21-23,27,30,32,34,36-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-
HMDB55401	TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H86O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,33,35-36,39,52H,4-6,9,12-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB55408	TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35-37,39,56H,4-6,9,12-15,18,22-23,28,32-34,38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-
HMDB55409	TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35-37,39,43,46,56H,4-6,9,12-15,18,22-23,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-
HMDB42316	TG(14:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h19-20,22-23,25-26,49H,4-18,21,24,27-48H2,1-3H3/b22-19-,23-20-,26-25-
HMDB54898	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,54,57,66H,4-6,8,11,13-15,22-24,31-33,40-42,49-53,55-56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,57-54-
HMDB47159	TG(24:0/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,40,46,49,66H,4-17,19-20,22-26,28-39,41-45,47-48,50-65H2,1-3H3/b21-18-,40-27-,49-46-
HMDB47158	TG(24:0/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C70H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,41,67H,4-20,22-23,25-29,31-40,42-66H2,1-3H3/b24-21-,41-30-
HMDB43883	TG(16:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,40,43,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-32-,43-40-
HMDB56750	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-38,42,50,54,73-75,80H,5-20,22-24,26-32,36,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB33158	13,28-Epoxy-3,16-oleananediol; (3b,13b,16a)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;4)-[a-L-rhamnopyranosyl-(1-&gt;2)]-b-D-glucopyranosyl-(1-&gt;?)-b-D-glucuronopyranoside]	CC1OC(OC2C(C)OC(OC3C(O)C(OC4OC(C)C(O)C(O)C4O)C(OC4C(O)C(O)C(OC4OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C)CC58)C(O)CC67C)C4(C)C)C(O)=O)OC3CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C60H98O26/c1-23-32(63)34(65)39(70)49(77-23)82-43-25(3)79-51(41(72)38(43)69)83-44-26(21-61)80-52(47(42(44)73)85-50-40(71)35(66)33(64)24(2)78-50)86-46-37(68)36(67)45(48(74)75)84-53(46)81-31-13-14-56(8)27(55(31,6)7)11-15-57(9)28(56)12-16-60-29-19-54(4,5)17-18-59(29,22-76-60)30(62)20-58(57,60)10/h23-47,49-53,61-73H,11-22H2,1-10H3,(H,74,75)
HMDB33159	2-Propanoylthiophene	CCC(=O)C1=CC=CS1	InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
HMDB56264	DG(22:1n9/0:0/20:5n3)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,43,46H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-
HMDB33154	5,6,7,8-Tetrahydroquinoxaline	C1CCC2=NC=CN=C2C1	InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2
HMDB33155	Trimethylthiazole	CC1=NC(C)=C(C)S1	InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
HMDB33156	Methoxypyrazine	COC1=CN=CC=N1	InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
HMDB33157	13,28-Epoxy-3,16-oleananediol; (3b,13b,16a)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;3)-b-D-galactopyranosyl-(1-&gt;4)-[a-L-rhamnopyranosyl-(1-&gt;2)]-b-D-glucuronopyranoside]	CC1OC(OC2C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(OC2OC2CCC3(C)C(CCC4(C)C3CCC35OCC6(CCC(C)(C)CC36)C(=O)CC45C)C2(C)C)C(O)=O)C(O)C(O)C1O	InChI=1S/C54H86O23/c1-22-30(58)33(61)35(63)44(70-22)76-41-37(65)40(75-46-38(66)39(32(60)24(20-56)72-46)74-45-36(64)34(62)31(59)23(19-55)71-45)42(43(67)68)77-47(41)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-27,29-42,44-47,55-56,58-66H,9-21H2,1-8H3,(H,67,68)
HMDB33150	11,12-Dihydroxy-1(10)-spirovetiven-2-one; (4R,5S,7R,11S)-form, 11-O-b-D-Glucopyranoside	CC1CC(=O)C=C(C)C11CCC(C1)C(C)(CO)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H34O8/c1-11-6-14(24)7-12(2)21(11)5-4-13(8-21)20(3,10-23)29-19-18(27)17(26)16(25)15(9-22)28-19/h6,12-13,15-19,22-23,25-27H,4-5,7-10H2,1-3H3
HMDB33151	4,5-Dichloro-3H-1,3-dithiol-2-one	ClC1=C(Cl)C(=O)SS1	InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6
HMDB33152	2-(Methylthio)pyrazine	CSC1=NC=CN=C1	InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
HMDB33153	(Z)-4',6-Dihydroxyaurone	OC1=CC=C(\C=C2/OC3=CC(O)=CC=C3C2=O)C=C1	InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-
HMDB31941	8'-Episesaminone	OCC1C(COC1C1=CC=C2OCOC2=C1)C(=O)C1=CC=C2OCOC2=C1	InChI=1S/C20H18O7/c21-7-13-14(19(22)11-1-3-15-17(5-11)26-9-24-15)8-23-20(13)12-2-4-16-18(6-12)27-10-25-16/h1-6,13-14,20-21H,7-10H2
HMDB31940	Arachisprenol 12	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=CCC\C(C)=C\CCC(C)=CCC\C(C)=C\CCC(C)=CCCC(C)=CCC\C(C)=C\CC\C(C)=C\CO	InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41-,58-43-,59-45+,60-47+
HMDB31943	(4-Methoxybenzyl)thiocarbamic acid 4'-O-(tri-O-acetyl-alpha-L-rhamnopyranoside)	COC(=S)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1.CO\C(S)=N/CC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1	InChI=1S/2C21H27NO9S/c2*1-11-17(28-12(2)23)18(29-13(3)24)19(30-14(4)25)20(27-11)31-16-8-6-15(7-9-16)10-22-21(32)26-5/h2*6-9,11,17-20H,10H2,1-5H3,(H,22,32)
HMDB31942	Niazinin A	COC(=S)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1.CO\C(S)=N/CC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1	InChI=1S/2C15H21NO6S/c2*1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(23)20-2/h2*3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,23)
HMDB31945	Niaziminin A	CCOC(=S)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1.CCO\C(S)=N/CC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1	InChI=1S/2C18H25NO7S/c2*1-4-23-18(27)19-9-12-5-7-13(8-6-12)26-17-15(22)14(21)16(10(2)24-17)25-11(3)20/h2*5-8,10,14-17,21-22H,4,9H2,1-3H3,(H,19,27)
HMDB31944	Niazimicin A	CCOC(=S)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1.CCO\C(S)=N/CC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1	InChI=1S/2C16H23NO6S/c2*1-3-21-16(24)17-8-10-4-6-11(7-5-10)23-15-14(20)13(19)12(18)9(2)22-15/h2*4-7,9,12-15,18-20H,3,8H2,1-2H3,(H,17,24)
HMDB31947	Niazicinin A	COC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1	InChI=1S/C17H23NO8/c1-9-15(25-10(2)19)13(20)14(21)16(24-9)26-12-6-4-11(5-7-12)8-18-17(22)23-3/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,22)
HMDB31946	(4-Hydroxybenzyl)thiocarbamic acid; 4'-O-(Tri-O-acetyl-a-L-rhamnopyranoside), O-Et ester	CCOC(=S)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1.CCO\C(S)=N/CC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1	InChI=1S/2C22H29NO9S/c2*1-6-27-22(33)23-11-16-7-9-17(10-8-16)32-21-20(31-15(5)26)19(30-14(4)25)18(12(2)28-21)29-13(3)24/h2*7-10,12,18-21H,6,11H2,1-5H3,(H,23,33)
HMDB31949	Bis-N-butyl phthalate	CCOC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1	InChI=1S/C22H29NO10/c1-6-28-22(27)23-11-16-7-9-17(10-8-16)33-21-20(32-15(5)26)19(31-14(4)25)18(12(2)29-21)30-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,27)
HMDB31948	1-Isobutanol	COC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1	InChI=1S/C21H27NO10/c1-11-17(29-12(2)23)18(30-13(3)24)19(31-14(4)25)20(28-11)32-16-8-6-15(7-9-16)10-22-21(26)27-5/h6-9,11,17-20H,10H2,1-5H3,(H,22,26)
HMDB43882	TG(16:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-32-
HMDB50042	TG(18:1(9Z)/20:2n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,31,57H,4-13,15-16,18-22,24,29-30,32-56H2,1-3H3/b17-14-,26-23-,28-25-,31-27-
HMDB50045	TG(18:1(9Z)/20:2n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,35,61H,4-13,15-16,18-22,24,29-34,36-60H2,1-3H3/b17-14-,26-23-,28-25-,35-27-
HMDB50044	TG(18:1(9Z)/20:2n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,33,59H,4-13,15-16,18-22,24,29-32,34-58H2,1-3H3/b17-14-,26-23-,28-25-,33-27-
HMDB50047	TG(18:1(9Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16-17,20,22,25-27,29-30,35,38,55H,4-12,14-15,18-19,21,23-24,28,31-34,36-37,39-54H2,1-3H3/b16-13-,20-17-,25-22-,29-26-,30-27-,38-35-
HMDB47156	TG(24:0/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,70H,4-26,28-29,31-69H2,1-3H3/b30-27-
HMDB54759	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,43,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-
HMDB54758	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-15,18,21-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB54751	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,36,38-41,43,45,48,60H,4-8,10-11,13-15,17,20,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB54750	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,36,38-39,41,45,48,60H,4-8,10-11,13-15,17,20,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB54753	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-7,9-10,12-15,18,21-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB54752	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,38-41,43,47,50,62H,4-7,9-10,12-15,18,21-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB54755	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB54754	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,40-45,49,52,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB54757	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,43-44,46-47,66H,4-15,18,21-24,31-33,36,39-42,45,48-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB54756	TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,36,38-39,41,45,48,61H,4-15,17-18,20-24,27,30-31,33,35,37,40,42-44,46-47,49-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-
HMDB45296	TG(18:0/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,54H,4-8,10-11,13-17,19-20,22-24,26,29,31-53H2,1-3H3/b12-9-,21-18-,28-25-,30-27-
HMDB45297	TG(18:0/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,31,56H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-55H2,1-3H3/b12-9-,21-18-,28-25-,31-27-
HMDB45294	TG(18:0/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,52H,4-7,9-10,12-16,18-19,22-23,25,27,29-51H2,1-3H3/b11-8-,20-17-,24-21-,28-26-
HMDB45295	TG(18:0/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,27,30,54H,4-8,10-11,13-17,20,23-26,28-29,31-53H2,1-3H3/b12-9-,21-18-,22-19-,30-27-
HMDB42019	suxibuzone	CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)
HMDB45293	TG(18:0/18:3(9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,50H,4-7,9-10,12-14,16,19,21-24,26,28-49H2,1-3H3/b11-8-,18-15-,20-17-,27-25-
HMDB45290	TG(18:0/18:3(9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,31,56H,4-8,10-11,13-17,19-20,22-26,28-30,32-55H2,1-3H3/b12-9-,21-18-,31-27-
HMDB45291	TG(18:0/18:3(9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,33,58H,4-8,10-11,13-17,19-20,22-26,28-32,34-57H2,1-3H3/b12-9-,21-18-,33-27-
HMDB42015	sulforidazine	CN1CCCCC1CCN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(C)(=O)=O	InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
HMDB48070	TG(14:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18-20,22-23,25-26,49H,4-14,16-17,21,24,27-48H2,1-3H3/b18-15-,22-19-,23-20-,26-25-
HMDB48073	TG(14:1(9Z)/18:2(9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,29,53H,4-14,16-17,19,21-22,25,28,30-52H2,1-3H3/b18-15-,23-20-,26-24-,29-27-
HMDB48072	TG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,25-28,51H,4-14,16-17,20-21,23-24,29-50H2,1-3H3/b18-15-,22-19-,27-25-,28-26-
HMDB42011	s-phenylmercapturic acid	CC(O)=NC(CSC1=CC=CC=C1)C(O)=O	InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
HMDB38034	Nonyl isovalerate	CCCCCCCCCOC(=O)CC(C)C	InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
HMDB42013	sofalcone	[H]\C(=C(\[H])C1=CC=C(OCC=C(C)C)C=C1)C(=O)C1=C(OCC(O)=O)C=C(OCC=C(C)C)C=C1	InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+
HMDB42012	salsolinol	[H][C@@]1(C)NCCC2=CC(O)=C(O)C=C12	InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1
HMDB08956	PE(16:1(9Z)/16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34,38H2,1-2H3,(H,41,42)/b15-13-/t35-/m1/s1
HMDB08957	PE(16:1(9Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35H,3-12,17-34,38H2,1-2H3,(H,41,42)/b15-13-,16-14-/t35-/m1/s1
HMDB08954	PE(16:1(9Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H66NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12-13,15,33H,3-9,11,14,16-32,36H2,1-2H3,(H,39,40)/b12-10-,15-13-/t33-/m1/s1
HMDB08955	PE(16:1(9Z)/15:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,34H,3-12,14,16-33,37H2,1-2H3,(H,40,41)/b15-13-/t34-/m1/s1
HMDB08952	PE(16:0/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,31,34,38H,3-16,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b18-17-,34-31-/t38-/m1/s1
HMDB08953	PE(16:1(9Z)/14:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h13,15,33H,3-12,14,16-32,36H2,1-2H3,(H,39,40)/b15-13-/t33-/m1/s1
HMDB08950	PE(16:0/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
HMDB08951	PE(16:0/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1
HMDB46925	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,39-40,43,45,48,60H,4-7,10,13-16,19,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB46924	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,39,45,48,60H,4-7,10,13-16,19,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,48-45-
HMDB46927	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-7,10,13-16,19,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46926	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,38-39,41,47,50,62H,4-7,10,13-16,19,22-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB46921	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,40,43,49,52,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,43-40-,52-49-
HMDB46920	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB08958	PE(16:1(9Z)/18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,37H,3-13,15,17-36,40H2,1-2H3,(H,43,44)/b16-14-/t37-/m1/s1
HMDB08959	PE(16:1(9Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36,40H2,1-2H3,(H,43,44)/b15-13-,16-14-/t37-/m1/s1
HMDB59240	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-36,39-42,47-50,58,62,79-81,86H,5-8,10-12,14-20,23-24,27,29-31,37-38,43-46,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,62-58-/t79?,80-,81-/m1/s1
HMDB59241	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-34,36-37,40-43,48-49,51-52,59,63,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,35,38-39,44-47,50,53-58,60-62,64-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-/t81?,82-,83-/m1/s1
HMDB59242	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,39-42,47-50,58,62,79-81,86H,5-8,10-12,14-20,23-24,29-30,37-38,43-46,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,62-58-/t79?,80-,81-/m1/s1
HMDB59243	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,36-37,40-43,48-49,51-52,59,63,81-83,88H,5-9,11-13,15-20,23-24,29-30,35,38-39,44-47,50,53-58,60-62,64-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-/t81?,82-,83-/m1/s1
HMDB57532	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h21-22,25-28,31-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-20,23-24,29-30,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1
HMDB29168	3-Aminocaproic acid	CCCC(N)CC(O)=O	InChI=1S/C6H13NO2/c1-2-3-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
HMDB29169	3-hydroxy-2-methylglutarate	CCC(C(O)CC(O)=O)C(O)=O	InChI=1S/C7H12O5/c1-2-4(7(11)12)5(8)3-6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
HMDB29166	2-Methyl-3-hydroxyvaleric acid	CCC(O)C(C)C(O)=O	InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
HMDB29167	2-Methyladipic acid	CC(CCCC(O)=O)C(O)=O	InChI=1S/C7H12O4/c1-5(7(10)11)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
HMDB29164	(-)-epicatechin-3'-O-glucuronide	OCC1OC(OC2=CC(=CC=C2O)C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16?,17+,18-,19-,20?,21?/m0/s1
HMDB29165	1,3-Diacetylpropane	CC(=O)CCCC(C)=O	InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3
HMDB29162	Gamma-glutamyl-Valine	CC(C)C(N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)
HMDB29163	Gamma-glutamyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)
HMDB29160	Gamma-glutamyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C16H20N4O4/c17-11(7-9-8-19-12-4-2-1-3-10(9)12)15(22)20-13(16(23)24)5-6-14(18)21/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)
HMDB29161	Gamma-glutamyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C14H19N3O5/c15-10(7-8-1-3-9(18)4-2-8)13(20)17-11(14(21)22)5-6-12(16)19/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)
HMDB45744	TG(20:0/18:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,32,58H,4-24,26,29-31,33-57H2,1-3H3/b28-25-,32-27-
HMDB38038	2-Methylbutyl 3-methylbutanoate	CCC(C)COC(=O)CC(C)C	InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3
HMDB45745	TG(20:0/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,32-33,35,41,44,58H,4-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b28-25-,32-27-,35-33-,44-41-
HMDB38039	Ammonium isovalerate	N.CC(C)CC(O)=O	InChI=1S/C5H10O2.H3N/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);1H3
HMDB45746	TG(20:0/18:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,34,60H,4-24,26,29-33,35-59H2,1-3H3/b28-25-,34-27-
HMDB57533	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB45747	TG(20:0/18:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-
HMDB32209	Citronellyl trans-2-methyl-2-butenoate	C\C=C(/C)C(=O)OCCC(C)CCC=C(C)C	InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+
HMDB32208	Citronellyl anthranilate	CC(CCOC(=O)C1=CC=CC=C1N)CCC=C(C)C	InChI=1S/C17H25NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-10,14H,6,8,11-12,18H2,1-3H3
HMDB32207	cis-5-Octenoic acid	CC\C=C/CCCC(O)=O	InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h3-4H,2,5-7H2,1H3,(H,9,10)/b4-3-
HMDB32206	cis-4-Decenol	CCCCC\C=C/CCCO	InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-
HMDB32205	cis- and trans-L-Mercapto-p-menthan-3-one	CC(C)C1CCC(C)(S)CC1=O	InChI=1S/C10H18OS/c1-7(2)8-4-5-10(3,12)6-9(8)11/h7-8,12H,4-6H2,1-3H3
HMDB32204	cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane	CC(C)C1OCC(C)O1	InChI=1S/C7H14O2/c1-5(2)7-8-4-6(3)9-7/h5-7H,4H2,1-3H3
HMDB32203	cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane	CC(C)CC1OCC(C)O1	InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
HMDB32202	cis and trans-5-Ethyl-4-methyl-2-(2-methylpropyl)-thiazoline	CCC1SC(CC(C)C)=NC1C	InChI=1S/C10H19NS/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-9H,5-6H2,1-4H3
HMDB32201	cis- and trans-5-Ethyl-4-methyl-2-(2-butyl)-thiazoline	CCC(C)C1=NC(C)C(CC)S1	InChI=1S/C10H19NS/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-9H,5-6H2,1-4H3
HMDB32200	cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate	CCOC(=O)CC1(C)OCC(C)O1	InChI=1S/C9H16O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h7H,4-6H2,1-3H3
HMDB45742	TG(20:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,27,31,56H,4-19,21-22,24-26,28-30,32-55H2,1-3H3/b23-20-,31-27-
HMDB45743	TG(20:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h26-27,30-31,56H,4-25,28-29,32-55H2,1-3H3/b30-26-,31-27-
HMDB45769	TG(20:0/20:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,32,58H,4-25,28,30-31,33-57H2,1-3H3/b29-26-,32-27-
HMDB09609	PE(22:4(7Z,10Z,13Z,16Z)/P-16:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,35,38,42H,3-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1
HMDB09608	PE(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,45H,3-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t45-/m1/s1
HMDB09601	PE(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,47H,3-10,15-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1
HMDB09600	PE(22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,47H,3-10,12,14-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1
HMDB09603	PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,47H,3-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1
HMDB09602	PE(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,47H,3-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1
HMDB09605	PE(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,36,38,47H,3-5,7,9-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1
HMDB09604	PE(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,47H,3-5,7,9-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1
HMDB09607	PE(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,49H,3-11,13,15-16,21-24,26,28-30,32,34-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,27-25-,33-31-/t49-/m1/s1
HMDB09606	PE(22:4(7Z,10Z,13Z,16Z)/24:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,49H,3-11,13,15-17,19,21-24,26,28-30,32,34-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-,27-25-,33-31-/t49-/m1/s1
HMDB48444	TG(16:1(9Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,50H,4-12,14-15,17-19,21,24,26-49H2,1-3H3/b16-13-,23-20-,25-22-
HMDB48445	TG(16:1(9Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,51H,4-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-
HMDB46218	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,32,34,40,43,49,52,61H,4-6,8-9,11-14,17,20-23,26,29-31,33,35-39,41-42,44-48,50-51,53-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,34-32-,43-40-,52-49-
HMDB48446	TG(16:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,35,38,51H,4-15,17-18,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-,38-35-
HMDB42314	TG(14:0/16:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h20,23-25,52H,4-19,21-22,26-51H2,1-3H3/b23-20-,25-24-
HMDB40518	2,5-Dihydro-2,4-dimethyloxazole	CC1OCC(C)=N1	InChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3
HMDB40519	1,2,3,4-Tetrahydro-1-phenyl-4-(2-phenylethyl)naphthalene	C(CC1=CC=CC=C1)C1CCC(C2=CC=CC=C2)C2=C1C=CC=C2	InChI=1S/C24H24/c1-3-9-19(10-4-1)15-16-21-17-18-23(20-11-5-2-6-12-20)24-14-8-7-13-22(21)24/h1-14,21,23H,15-18H2
HMDB45748	TG(20:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,31-32,57H,4-19,21-22,24-26,28,30,33-56H2,1-3H3/b23-20-,31-27-,32-29-
HMDB45749	TG(20:0/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,26-27,30-31,36,39,56H,4-16,18-19,21-25,28-29,32-35,37-38,40-55H2,1-3H3/b20-17-,30-26-,31-27-,39-36-
HMDB40512	4',5,6,7-Tetrahydroxyflavone; 4',5,6-Tri-Me ether, 7-O-b-D-glucopyranoside	COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	InChI=1S/C24H26O11/c1-30-12-6-4-11(5-7-12)14-8-13(26)18-15(33-14)9-16(22(31-2)23(18)32-3)34-24-21(29)20(28)19(27)17(10-25)35-24/h4-9,17,19-21,24-25,27-29H,10H2,1-3H3
HMDB40513	Silybin; 2,3-Didehydro	COC1=CC(=CC=C1O)C1OC2=CC(=CC=C2OC1CO)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3
HMDB40510	Eupafolin 4'-glucoside	COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C2)C=C1O	InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-13(32-14)8-2-3-12(9(24)4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3
HMDB40511	Physcionin	COC1=CC2=C(C(=O)C3=C(C=C(C)C=C3O)C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3
HMDB40516	7-Baueren-3-ol; 3b-form, Ac	CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4CCC3(C)C2C1C)OC(C)=O	InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3
HMDB40517	7-Baueren-3-ol; 3b-form, Me ether	COC1CCC2(C)C3CCC4(C)C5C(C)C(C)CCC5(C)CCC4(C)C3=CCC2C1(C)C	InChI=1S/C31H52O/c1-20-12-15-28(5)18-19-30(7)23-10-11-24-27(3,4)25(32-9)14-16-29(24,6)22(23)13-17-31(30,8)26(28)21(20)2/h10,20-22,24-26H,11-19H2,1-9H3
HMDB40514	Silychristin; 2,3-Didehydro	COC1=C(O)C=CC(=C1)C1OC2=C(O)C=C(C=C2C1CO)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3
HMDB40515	gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine	NC(CCC(=O)NC(CN1OC(=O)C=C1)C(O)=O)C(O)=O	InChI=1S/C11H15N3O7/c12-6(10(17)18)1-2-8(15)13-7(11(19)20)5-14-4-3-9(16)21-14/h3-4,6-7H,1-2,5,12H2,(H,13,15)(H,17,18)(H,19,20)
HMDB11716	N-Acetylvanilalanine	COC1=CC(CC(NC(C)=O)C(O)=O)=CC=C1O	InChI=1S/C12H15NO5/c1-7(14)13-9(12(16)17)5-8-3-4-10(15)11(6-8)18-2/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17)
HMDB48442	TG(16:1(9Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h19-20,22-23,26-27,50H,4-18,21,24-25,28-49H2,1-3H3/b22-19-,23-20-,27-26-
HMDB46219	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35-36,39,41,44,50,53,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,53-50-
HMDB11717	Nonate	CCCCC[C@@H](CC(O)=O)C(O)=O	InChI=1S/C9H16O4/c1-2-3-4-5-7(9(12)13)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
HMDB46217	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,39-40,42-43,48,51,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-,51-48-
HMDB46216	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,32,34-35,40,43,49,52,61H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31,33,36-39,41-42,44-48,50-51,53-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,35-30-,43-40-,52-49-
HMDB46215	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,39,45,48,54,57,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-35-,48-45-,57-54-
HMDB46214	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB46213	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB43670	TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,34,37,52H,4-7,9-10,12-16,18,21,23-25,30-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-,37-34-
HMDB46211	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,39,42,48,51,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,42-39-,51-48-
HMDB46210	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,39,42,48,51,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,42-39-,51-48-
HMDB43671	TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32-33,35-36,51H,4-7,9-10,12-15,18,21-24,29-31,34,37-50H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-
HMDB06406	Ecgonine methyl ester	COC(=O)[C@@H]1C2CCC(C[C@@H]1O)N2C	InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6?,7?,8-,9+/m0/s1
HMDB06407	Selenophosphate	OP(O)([O-])=[Se]	InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)/p-1
HMDB11710	TG(15:0/18:2(9Z,12Z)/16:0)[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,49H,4-15,17-18,20-24,27-48H2,1-3H3/b19-16-,26-25-/t49-/m1/s1
HMDB48448	TG(16:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,35,53H,4-15,17-18,21-22,24,27,30-31,33-34,36-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-32-
HMDB43675	TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,37,40,55H,4-7,9-10,12-15,18,21-24,28-30,32-36,38-39,41-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,40-37-
HMDB48449	TG(16:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,35,40,43,53H,4-15,17-18,21-22,24,27,30-31,33-34,36-39,41-42,44-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,35-32-,43-40-
HMDB43678	TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,33,36,51H,4-6,9,12-15,18,21-24,29-32,34-35,37-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,36-33-
HMDB44800	TG(18:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,41-38-
HMDB43679	TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H88O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32-33,35-36,51H,4-6,9,12-15,18,21-24,29-31,34,37-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-
HMDB44801	TG(18:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,41-38-,50-47-
HMDB44802	TG(18:0/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h57H,4-56H2,1-3H3
HMDB44803	TG(18:0/22:0/18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h58H,4-57H2,1-3H3
HMDB55026	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,55,58,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-54,56-57,59-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,58-55-
HMDB44804	TG(18:0/22:0/20:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB55027	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-
HMDB44805	TG(18:0/22:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB44806	TG(18:0/22:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3
HMDB59496	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-56,58,63,67,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,57,59-62,64-66,68-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-/t85?,86-,87-/m1/s1
HMDB44807	TG(18:0/22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-
HMDB33639	3',4',5'-Trimethoxyflavone	COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O1)C=CC=C2	InChI=1S/C18H16O5/c1-20-16-8-11(9-17(21-2)18(16)22-3)15-10-13(19)12-6-4-5-7-14(12)23-15/h4-10H,1-3H3
HMDB33638	Putranjivain A	OC1COC2(OC3(O)CC45C2OC2(O)C4C4=C(OC32O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)OC2C3OC5=O)C1O	InChI=1S/C46H36O31/c47-13-1-9(2-14(48)23(13)53)35(60)74-39-32-31-29(19(70-39)7-68-36(61)10-3-15(49)24(54)27(57)20(10)21-11(37(62)71-31)4-16(50)25(55)28(21)58)73-41(64)42-8-43(65)46(67)45(66,76-40(42)44(77-43)34(59)18(52)6-69-44)33(42)22-12(38(63)72-32)5-17(51)26(56)30(22)75-46/h1-5,18-19,29,31-34,39-40,47-59,65-67H,6-8H2
HMDB44809	TG(18:0/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-
HMDB33631	Lactapiperanol D	COC1OCC2(O)C(OC(C)=O)C3CC(C)(C)CC3C3(C)CC123	InChI=1S/C18H28O5/c1-10(19)23-13-11-6-15(2,3)7-12(11)16(4)8-17(16)14(21-5)22-9-18(13,17)20/h11-14,20H,6-9H2,1-5H3
HMDB33630	Lactapiperanol C	COC1OCC2(O)C(O)C3CC(C)(C)CC3C3(C)CC123	InChI=1S/C16H26O4/c1-13(2)5-9-10(6-13)14(3)7-15(14)12(19-4)20-8-16(15,18)11(9)17/h9-12,17-18H,5-8H2,1-4H3
HMDB33633	(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol	CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3CCC12C	InChI=1S/C29H48O3/c1-17(2)20(5)18(3)14-19(4)23-8-9-24-22-15-26(31)29(32)16-21(30)10-13-28(29,7)25(22)11-12-27(23,24)6/h14-15,17,19-21,23-26,30-32H,8-13,16H2,1-7H3/b18-14+
HMDB33632	Furohyperforin	CC(C)C(=O)C12C(=O)C(CC=C(C)C)=C3OC(CC3(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O)C(C)(C)O	InChI=1S/C35H52O5/c1-21(2)13-12-18-33(11)25(16-14-22(3)4)19-34-20-27(32(9,10)39)40-30(34)26(17-15-23(5)6)29(37)35(33,31(34)38)28(36)24(7)8/h13-15,24-25,27,39H,12,16-20H2,1-11H3
HMDB33635	Cyclotricuspidogenin C	CC(C)C(O)(CO)CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O	InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)
HMDB33634	(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol	CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC12C	InChI=1S/C29H48O4/c1-17(2)20(5)18(3)14-19(4)22-8-9-23-24-15-25(31)29(33)16-21(30)10-11-27(29,7)28(24,32)13-12-26(22,23)6/h14-15,17,19-23,25,30-33H,8-13,16H2,1-7H3/b18-14+
HMDB33637	Fistulosin	CCCCCCCCCCCCCCCCCCC1=C(O)C2=CC=CC=C2N1	InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3
HMDB33636	Cyclotricuspidoside C	CC(C)C(O)(CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3
HMDB39778	xi-3,5-Dimethyl-2(5H)-furanone	CC1OC(=O)C(C)=C1	InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3
HMDB39779	xi-3-Methyl-3-buten-2-ol	CC(O)C(C)=C	InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3
HMDB39772	Epigallocatechin 3-O-gallate-(4beta-&gt;6)-epicatechin 3-O-gallate	OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C2OC(C(CC2=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C44H34O21/c45-18-10-22(48)33-31(11-18)63-41(15-4-24(50)37(57)25(51)5-15)42(65-44(61)17-8-28(54)39(59)29(55)9-17)35(33)34-23(49)13-30-19(36(34)56)12-32(40(62-30)14-1-2-20(46)21(47)3-14)64-43(60)16-6-26(52)38(58)27(53)7-16/h1-11,13,32,35,40-42,45-59H,12H2
HMDB39773	11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin	COC1CC2C(C)=C(OC)C(OC3OC(CO)C(O)C(O)C3O)C3C2(C)C(CC2C(C)C=C(OC)C(=O)C32C)O1	InChI=1S/C29H44O11/c1-12-8-16(35-5)26(34)29(4)14(12)9-18-28(3)15(10-19(36-6)39-18)13(2)23(37-7)24(25(28)29)40-27-22(33)21(32)20(31)17(11-30)38-27/h8,12,14-15,17-22,24-25,27,30-33H,9-11H2,1-7H3
HMDB39770	(Z)-5-Octenal	CC\C=C\CCCC=O	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,8H,2,5-7H2,1H3/b4-3+
HMDB39771	Cyclopentanethiol	SC1CCCC1	InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
HMDB39776	6''-O-Malonylnaringin	[H]OC(=O)C([H])([H])C(=O)OC([H])([H])C1([H])OC([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C(=O)C([H])([H])C([H])(O3)C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])(OC2([H])OC([H])(C([H])([H])[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C([H])(O[H])C1([H])O[H]	InChI=1S/C30H34O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-7,11,17,19,23-32,37-41H,8-10H2,1H3,(H,34,35)
HMDB39777	Orcein	CC1=CC(O)=CC(O)=C1NC1=C(C)C2=C3C(OC2=CC1=O)=CC(=O)C(NC1=C(O)C=C(O)C=C1C)=C3C	InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3
HMDB39774	5,6,7-Trihydroxy-2H-1-benzopyran-2-one, 9CI; 6-Me ether, 7-O-b-D-glucopyranoside	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(=O)C=CC2=C1O	InChI=1S/C16H18O10/c1-23-15-8(4-7-6(11(15)19)2-3-10(18)24-7)25-16-14(22)13(21)12(20)9(5-17)26-16/h2-4,9,12-14,16-17,19-22H,5H2,1H3
HMDB39775	3',4',5,7-Tetrahydroxyflavanone; (S)-form, 3'-Me ether, 4'-O-(2-methylpropanoyl)	COC1=CC(=CC=C1OC(=O)C(C)C)C1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C20H20O7/c1-10(2)20(24)27-15-5-4-11(6-17(15)25-3)16-9-14(23)19-13(22)7-12(21)8-18(19)26-16/h4-8,10,16,21-22H,9H2,1-3H3
HMDB31169	Cohibin B	CCCCCCCCCCCCCC\C=C/CCC(O)C(O)CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-33(36)34(37)29-26-23-20-17-16-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-
HMDB31168	Cohibin A	CCCCCCCCCCCC\C=C/CCC(O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-
HMDB31167	Acutoside G	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C68H110O33/c1-26-50(96-57-48(85)51(32(74)25-90-57)97-55-45(82)38(75)29(71)22-88-55)52(98-56-46(83)39(76)30(72)23-89-56)49(86)59(92-26)99-53-40(77)31(73)24-91-60(53)101-62(87)68-17-15-63(2,3)19-28(68)27-9-10-36-65(6)13-12-37(64(4,5)35(65)11-14-67(36,8)66(27,7)16-18-68)95-61-54(44(81)42(79)34(21-70)94-61)100-58-47(84)43(80)41(78)33(20-69)93-58/h9,26,28-61,69-86H,10-25H2,1-8H3
HMDB31166	Acutoside F	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(O)C1O	InChI=1S/C63H102O29/c1-25-47(88-51-43(76)36(69)28(66)22-81-51)48(89-52-44(77)37(70)29(67)23-82-52)46(79)54(84-25)90-49-38(71)30(68)24-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(42(75)40(73)32(21-65)86-56)91-53-45(78)41(74)39(72)31(20-64)85-53/h9,25,27-56,64-79H,10-24H2,1-8H3
HMDB31165	Acutoside D	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C63H102O29/c1-25-47(88-52-46(79)48(30(68)24-82-52)89-51-43(76)36(69)28(66)22-81-51)42(75)45(78)53(84-25)90-49-37(70)29(67)23-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(41(74)39(72)32(21-65)86-56)91-54-44(77)40(73)38(71)31(20-64)85-54/h9,25,27-56,64-79H,10-24H2,1-8H3
HMDB31164	Acutoside B	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C58H94O25/c1-24-44(80-47-41(70)34(63)27(61)22-74-47)40(69)43(72)48(76-24)81-45-35(64)28(62)23-75-50(45)83-52(73)58-17-15-53(2,3)19-26(58)25-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-57(32,8)56(25,7)16-18-58)79-51-46(39(68)37(66)30(21-60)78-51)82-49-42(71)38(67)36(65)29(20-59)77-49/h9,24,26-51,59-72H,10-23H2,1-8H3
HMDB31163	N-Acetyl-2,3-dihydro-1H-pyrrole	CC(=O)N1CCC=C1	InChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3
HMDB31162	3,3'-Thiobispropanoic acid	OC(=O)CCSCCC(O)=O	InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
HMDB31161	Methyl pentyl disulfide	CCCCCSSC	InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3
HMDB31160	1-Pentanesulfenothioic acid	CCCCCSS	InChI=1S/C5H12S2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3
HMDB44505	TG(16:0/18:4(6Z,9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,40,43,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,33-26-,43-40-
HMDB44504	TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,38,41,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,31-26-,41-38-
HMDB44507	TG(16:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,32,35,50H,4-6,8-9,11-15,17-18,21-22,24,27-31,33-34,36-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,35-32-
HMDB44506	TG(16:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,30,33,48H,4-6,8-9,11-14,17,20-23,26-29,31-32,34-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,33-30-
HMDB44501	TG(16:0/18:4(6Z,9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,32,35,50H,4-6,8-9,11-15,17-18,20-24,27-31,33-34,36-49H2,1-3H3/b10-7-,19-16-,26-25-,35-32-
HMDB44500	TG(16:0/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,53H,4-7,9-10,12-16,18-19,21-25,27,29-52H2,1-3H3/b11-8-,20-17-,28-26-
HMDB44503	TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,29-26-,39-36-
HMDB44502	TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,52H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,28-26-,37-34-
HMDB44509	TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,37,52H,4-7,9-10,12-16,18-19,21-24,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-34-
HMDB44508	TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28,34,37,52H,4-7,9-10,12-16,18,21,23-25,27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,37-34-
HMDB42828	TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,30,32,53H,4-6,8-9,11-13,15,18,20-22,27-29,31,33-52H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,32-30-
HMDB42829	TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,54H,4-7,9-10,12-15,18,21-23,28-29,34-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB42824	TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,33,35,56H,4-7,9-10,12-16,18-19,21-23,28-32,34,36-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-33-
HMDB42825	TG(14:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,35,37,58H,4-7,9-10,12-16,18-19,21-23,28-34,36,38-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,37-35-
HMDB42826	TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-30,32,53H,4-6,8-9,11-15,17-18,21-22,25,28,31,33-52H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-27-,32-30-
HMDB42827	TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,33,36,52H,4-6,8-9,11-15,18,21-23,27,30,32,34-35,37-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-
HMDB42820	TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,52H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,31-29-
HMDB42821	TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-29,31,52H,4-6,8-9,11-15,17-18,20-23,27,30,32-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,31-29-
HMDB42822	TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,31,33,54H,4-7,9-10,12-16,18-19,21-23,28-30,32,34-53H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,33-31-
HMDB42823	TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,30-33,38,41,54H,4-7,9-10,12-16,18-19,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB37640	2-Methyl-4-phenyl-2-butanol, 8CI; 2-Methylpropanoyl	CC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1	InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
HMDB37641	4-(Ethoxymethyl)-2-methoxyphenol	CCOCC1=CC=C(O)C(OC)=C1	InChI=1S/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3
HMDB37642	4-(Butoxymethyl)-2-methoxyphenol	CCCCOCC1=CC=C(O)C(OC)=C1	InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
HMDB37643	3,23-Dihydroxy-12,19(29)-ursadien-28-oic acid; 3b-form, 3-O-a-L-Arabinopyranoside, 28-O-b-D-glucopyranosyl ester	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1=C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-35,42-49H,2,8-19H2,1,3-6H3
HMDB37644	3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid	COC1=CC=CC(\C=C\C(O)=O)=C1O	InChI=1S/C10H10O4/c1-14-8-4-2-3-7(10(8)13)5-6-9(11)12/h2-6,13H,1H3,(H,11,12)/b6-5+
HMDB37645	Falcarinolone	CCCCCCC\C=C/C(O)C#CC#CC(=O)C=C	InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10-
HMDB37646	Ginsenoyne E	CCCCCCCC1OC1CC#CC#CC(=O)C=C	InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,16-17H,2-3,5-7,10,13-14H2,1H3
HMDB37647	(E)-11-Hexadecenoic acid	CCCC\C=C\CCCCCCCCCC(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+
HMDB37648	3'-Galloylprodelphinidin B2	OC1C(OC2=CC(O)=CC(O)=C2C1C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2
HMDB37649	3,3'-Digalloylprodelphinidin B2	OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1)C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H34O22/c45-17-9-20(47)32-30(10-17)63-40(14-3-24(51)36(58)25(52)4-14)42(66-44(62)16-7-28(55)38(60)29(56)8-16)34(32)33-21(48)12-19(46)18-11-31(64-43(61)15-5-26(53)37(59)27(54)6-15)39(65-41(18)33)13-1-22(49)35(57)23(50)2-13/h1-10,12,31,34,39-40,42,45-60H,11H2
HMDB53994	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-6,8,11,13-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-
HMDB14315	Cholecalciferol	CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
HMDB59524	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59527	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,49-50,53-54,61-62,65-66,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB59526	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,48-49,51-52,59-60,63-64,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB59521	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,41-42,44-45,48,50-54,60-62,64-66,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,46-47,49,55-59,63,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB59520	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,49-50,52-53,60-61,64-65,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-48,51,54-59,62-63,66-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-,64-60-,65-61-/t82?,83-,84-/m1/s1
HMDB59523	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-56,58,63-64,67-68,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,57,59-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB14312	Lipoic Acid	OC(=O)CCCCC1CCSS1	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
HMDB59529	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,50-51,54-55,62-63,66-67,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-49,52-53,56-61,64-65,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-,66-62-,67-63-/t84?,85-,86-/m1/s1
HMDB59528	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,49-50,53-54,61-62,65-66,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB08569	PC(22:1(13Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/b22-20-/t48-/m1/s1
HMDB08568	PC(22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,26,31,33,46H,6-8,10,12-14,16,18-19,23-25,27-30,32,34-45H2,1-5H3/b11-9-,17-15-,22-20-,26-21-,33-31-/t46-/m1/s1
HMDB08567	PC(22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,26,46H,6-8,10,12-14,16,18-19,23-25,27-45H2,1-5H3/b11-9-,17-15-,22-20-,26-21-/t46-/m1/s1
HMDB08566	PC(22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h15,17,20-22,26,31,33,46H,6-14,16,18-19,23-25,27-30,32,34-45H2,1-5H3/b17-15-,22-20-,26-21-,33-31-/t46-/m1/s1
HMDB08565	PC(22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h15,17,20-22,26,46H,6-14,16,18-19,23-25,27-45H2,1-5H3/b17-15-,22-20-,26-21-/t46-/m1/s1
HMDB08564	PC(22:1(13Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h20-22,26,46H,6-19,23-25,27-45H2,1-5H3/b22-20-,26-21-/t46-/m1/s1
HMDB08563	PC(22:1(13Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h20,22,46H,6-19,21,23-45H2,1-5H3/b22-20-/t46-/m1/s1
HMDB08562	PC(22:1(13Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/b19-17-,21-20-/t44-/m1/s1
HMDB08561	PC(22:1(13Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,44H,6-19,22-43H2,1-5H3/b21-20-/t44-/m1/s1
HMDB08560	PC(22:1(13Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C45H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h20-21,43H,6-19,22-42H2,1-5H3/b21-20-/t43-/m1/s1
HMDB11848	Ganglioside GD2 (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H151N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(101)88-55(56(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-113-80-72(107)71(106)74(62(48-92)115-80)117-81-73(108)78(75(63(49-93)116-81)118-79-54(42-51(3)94)67(102)69(104)60(46-90)114-79)122-85(83(111)112)44-58(99)66(87-53(5)96)77(121-85)70(105)61(47-91)119-84(82(109)110)43-57(98)65(86-52(4)95)76(120-84)68(103)59(100)45-89/h20-21,54-63,65-81,89-93,97-100,102-108H,6-19,22-50H2,1-5H3,(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/b21-20-/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76?,77?,78-,79+,80-,81+,84-,85+/m1/s1
HMDB11849	Ganglioside GD2 (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C86H155N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-65(102)89-56(57(98)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)51-114-81-73(108)72(107)75(63(49-93)116-81)118-82-74(109)79(76(64(50-94)117-82)119-80-55(43-52(3)95)68(103)70(105)61(47-91)115-80)123-86(84(112)113)45-59(100)67(88-54(5)97)78(122-86)71(106)62(48-92)120-85(83(110)111)44-58(99)66(87-53(4)96)77(121-85)69(104)60(101)46-90/h55-64,66-82,90-94,98-101,103-109H,6-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,102)(H,110,111)(H,112,113)/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76+,77?,78?,79-,80+,81-,82+,85-,86+/m1/s1
HMDB11846	Ganglioside GD2 (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C84H151N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(100)87-54(55(96)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-112-79-71(106)70(105)73(61(47-91)114-79)116-80-72(107)77(74(62(48-92)115-80)117-78-53(41-50(3)93)66(101)68(103)59(45-89)113-78)121-84(82(110)111)43-57(98)65(86-52(5)95)76(120-84)69(104)60(46-90)118-83(81(108)109)42-56(97)64(85-51(4)94)75(119-83)67(102)58(99)44-88/h53-62,64-80,88-92,96-99,101-107H,6-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,100)(H,108,109)(H,110,111)/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,83-,84+/m1/s1
HMDB11847	Ganglioside GD2 (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C85H153N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(101)88-55(56(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-113-80-72(107)71(106)74(62(48-92)115-80)117-81-73(108)78(75(63(49-93)116-81)118-79-54(42-51(3)94)67(102)69(104)60(46-90)114-79)122-85(83(111)112)44-58(99)66(87-53(5)96)77(121-85)70(105)61(47-91)119-84(82(109)110)43-57(98)65(86-52(4)95)76(120-84)68(103)59(100)45-89/h54-63,65-81,89-93,97-100,102-108H,6-50H2,1-5H3,(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76?,77?,78-,79+,80-,81+,84-,85+/m1/s1
HMDB11844	Ganglioside GD2 (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C83H149N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(99)86-53(54(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-111-78-70(105)69(104)72(60(46-90)113-78)115-79-71(106)76(73(61(47-91)114-79)116-77-52(40-49(3)92)65(100)67(102)58(44-88)112-77)120-83(81(109)110)42-56(97)64(85-51(5)94)75(119-83)68(103)59(45-89)117-82(80(107)108)41-55(96)63(84-50(4)93)74(118-82)66(101)57(98)43-87/h52-61,63-79,87-91,95-98,100-106H,6-48H2,1-5H3,(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/t52-,53+,54-,55+,56+,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73+,74?,75?,76-,77+,78-,79+,82-,83+/m1/s1
HMDB11845	Ganglioside GD2 (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H147N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(99)86-53(54(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-111-78-70(105)69(104)72(60(46-90)113-78)115-79-71(106)76(73(61(47-91)114-79)116-77-52(40-49(3)92)65(100)67(102)58(44-88)112-77)120-83(81(109)110)42-56(97)64(85-51(5)94)75(119-83)68(103)59(45-89)117-82(80(107)108)41-55(96)63(84-50(4)93)74(118-82)66(101)57(98)43-87/h20-21,52-61,63-79,87-91,95-98,100-106H,6-19,22-48H2,1-5H3,(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/b21-20-/t52-,53+,54-,55+,56+,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73+,74?,75?,76-,77+,78-,79+,82-,83+/m1/s1
HMDB11842	Ganglioside GD2 (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H139N3O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(95)82-49(50(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-107-74-66(101)65(100)68(56(42-86)109-74)111-75-67(102)72(69(57(43-87)110-75)112-73-48(36-45(3)88)61(96)63(98)54(40-84)108-73)116-79(77(105)106)38-52(93)60(81-47(5)90)71(115-79)64(99)55(41-85)113-78(76(103)104)37-51(92)59(80-46(4)89)70(114-78)62(97)53(94)39-83/h20-21,48-57,59-75,83-87,91-94,96-102H,6-19,22-44H2,1-5H3,(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b21-20-/t48-,49+,50-,51+,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69+,70?,71?,72-,73+,74-,75+,78-,79+/m1/s1
HMDB11843	Ganglioside GD2 (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C81H145N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(97)84-51(52(93)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-109-76-68(103)67(102)70(58(44-88)111-76)113-77-69(104)74(71(59(45-89)112-77)114-75-50(38-47(3)90)63(98)65(100)56(42-86)110-75)118-81(79(107)108)40-54(95)62(83-49(5)92)73(117-81)66(101)57(43-87)115-80(78(105)106)39-53(94)61(82-48(4)91)72(116-80)64(99)55(96)41-85/h50-59,61-77,85-89,93-96,98-104H,6-46H2,1-5H3,(H,82,91)(H,83,92)(H,84,97)(H,105,106)(H,107,108)/t50-,51+,52-,53+,54+,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71+,72?,73?,74-,75+,76-,77+,80-,81+/m1/s1
HMDB11840	Ganglioside GD2 (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C79H141N3O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(95)82-49(50(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-107-74-66(101)65(100)68(56(42-86)109-74)111-75-67(102)72(69(57(43-87)110-75)112-73-48(36-45(3)88)61(96)63(98)54(40-84)108-73)116-79(77(105)106)38-52(93)60(81-47(5)90)71(115-79)64(99)55(41-85)113-78(76(103)104)37-51(92)59(80-46(4)89)70(114-78)62(97)53(94)39-83/h48-57,59-75,83-87,91-94,96-102H,6-44H2,1-5H3,(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/t48-,49+,50-,51+,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69+,70?,71?,72-,73+,74-,75+,78-,79+/m1/s1
HMDB11841	Ganglioside GD2 (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H139N3O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(95)82-49(50(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-107-74-66(101)65(100)68(56(42-86)109-74)111-75-67(102)72(69(57(43-87)110-75)112-73-48(36-45(3)88)61(96)63(98)54(40-84)108-73)116-79(77(105)106)38-52(93)60(81-47(5)90)71(115-79)64(99)55(41-85)113-78(76(103)104)37-51(92)59(80-46(4)89)70(114-78)62(97)53(94)39-83/h16,18,48-57,59-75,83-87,91-94,96-102H,6-15,17,19-44H2,1-5H3,(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b18-16-/t48-,49+,50-,51+,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69+,70?,71?,72-,73+,74-,75+,78-,79+/m1/s1
HMDB28716	Arginyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C15H23N5O3/c16-11(9-10-5-2-1-3-6-10)13(21)20-12(14(22)23)7-4-8-19-15(17)18/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)
HMDB28717	Arginyl-Proline	NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C11H21N5O3/c12-11(13)15-6-2-4-8(10(18)19)16-9(17)7-3-1-5-14-7/h7-8,14H,1-6H2,(H,16,17)(H,18,19)(H4,12,13,15)
HMDB28714	Arginyl-Lysine	NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C12H26N6O3/c13-6-2-1-4-8(14)10(19)18-9(11(20)21)5-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)
HMDB28715	Arginyl-Methionine	CSCCC(N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C11H23N5O3S/c1-20-6-4-7(12)9(17)16-8(10(18)19)3-2-5-15-11(13)14/h7-8H,2-6,12H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15)
HMDB28712	Arginyl-Isoleucine	CCC(C)C(N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C12H25N5O3/c1-3-7(2)9(13)10(18)17-8(11(19)20)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)
HMDB28713	Arginyl-Leucine	CC(C)CC(N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C12H25N5O3/c1-7(2)6-8(13)10(18)17-9(11(19)20)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)
HMDB28710	Arginyl-Hydroxyproline	NC(=N)NCCCC(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C11H21N5O4/c12-11(13)14-3-1-2-7(10(19)20)16-9(18)8-4-6(17)5-15-8/h6-8,15,17H,1-5H2,(H,16,18)(H,19,20)(H4,12,13,14)
HMDB28711	Arginyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)
HMDB28718	Arginyl-Serine	NC(CO)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C9H19N5O4/c10-5(4-15)7(16)14-6(8(17)18)2-1-3-13-9(11)12/h5-6,15H,1-4,10H2,(H,14,16)(H,17,18)(H4,11,12,13)
HMDB28719	Arginyl-Threonine	CC(O)C(N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C10H21N5O4/c1-5(16)7(11)8(17)15-6(9(18)19)3-2-4-14-10(12)13/h5-7,16H,2-4,11H2,1H3,(H,15,17)(H,18,19)(H4,12,13,14)
HMDB34698	7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone; 7-O-b-D-Glucopyranoside	CC(O)CC(=O)CC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C)O2	InChI=1S/C21H26O10/c1-9(23)3-12(24)5-11-6-13(7-15-17(11)14(25)4-10(2)29-15)30-21-20(28)19(27)18(26)16(8-22)31-21/h4,6-7,9,16,18-23,26-28H,3,5,8H2,1-2H3
HMDB34699	Fumonisin A2	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C36H61NO15/c1-6-7-13-22(3)34(52-33(46)19-26(36(49)50)17-31(43)44)29(51-32(45)18-25(35(47)48)16-30(41)42)15-21(2)12-10-8-9-11-14-27(39)20-28(40)23(4)37-24(5)38/h21-23,25-29,34,39-40H,6-20H2,1-5H3,(H,37,38)(H,41,42)(H,43,44)(H,47,48)(H,49,50)
HMDB34692	9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one	COC1=CC=C(C=C1OC)C1=C2C(=O)C(OC)=CC3=CC=CC(C=C1)=C23	InChI=1S/C22H18O4/c1-24-17-10-8-14(11-18(17)25-2)16-9-7-13-5-4-6-15-12-19(26-3)22(23)21(16)20(13)15/h4-12H,1-3H3
HMDB34693	2,3-Dihydroxy-12-oleanene-23,28-dioic acid; (2b,3b)-form, 3-O-b-D-Glucuronopyranoside	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O	InChI=1S/C36H54O12/c1-31(2)11-13-36(30(45)46)14-12-33(4)17(18(36)15-31)7-8-20-32(3)16-19(37)26(35(6,29(43)44)21(32)9-10-34(20,33)5)48-28-24(40)22(38)23(39)25(47-28)27(41)42/h7,18-26,28,37-40H,8-16H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)
HMDB34690	9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one	COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=C(O)C=C1	InChI=1S/C20H14O3/c1-23-17-11-14-4-2-3-13-7-10-16(19(18(13)14)20(17)22)12-5-8-15(21)9-6-12/h2-11,21H,1H3
HMDB34691	Yucalexin B9	CC12CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1=O)C=C2	InChI=1S/C20H28O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14,16,23H,5-6,9-11H2,1-4H3
HMDB34696	Artemin	CC1C2CCC3(C)C(O)CCC(=C)C3(O)C2OC1=O	InChI=1S/C15H22O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h9-12,16,18H,1,4-7H2,2-3H3
HMDB34697	(+)-alpha-Carene	CC1=CC[C@@H]2[C@H](C1)C2(C)C	InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
HMDB34694	4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-(2,4,6-tri-O-acetyl-b-D-glucopyranoside)	COC1=C(OC2OC(COC(C)=O)C(OC(C)=O)C(O)C2OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1	InChI=1S/C28H28O13/c1-13(29)36-12-23-26(38-14(2)30)25(34)27(39-15(3)31)28(41-23)40-22-10-20-18(9-21(22)35-4)24(33)19(11-37-20)16-5-7-17(32)8-6-16/h5-11,23,25-28,32,34H,12H2,1-4H3
HMDB34695	Cucurbitacin D	CC(C)(O)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C	InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+
HMDB15549	Hydroxychloroquine	CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1	InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
HMDB15548	Valganciclovir	CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O	InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
HMDB15547	Deferasirox	OC(=O)C1=CC=C(C=C1)N1N=C(N=C1C1=CC=CC=C1O)C1=CC=CC=C1O	InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)
HMDB15546	Propericiazine	OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1	InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
HMDB15545	Ticarcillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)C1=CSC=C1)C(O)=O	InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1
HMDB15544	Tazobactam	[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O	InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
HMDB15543	Pivmecillinam	[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1	InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/b22-12+/t14-,15+,17-/m1/s1
HMDB15542	Pivampicillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C	InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1
HMDB15541	Meticillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OC)C=CC=C1OC)C(O)=O	InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1
HMDB15540	Bacampicillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OC(C)OC(=O)OCC	InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1
HMDB07388	DG(20:1(11Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,37,40H,3-16,19-36H2,1-2H3/b18-17-/t37-/m0/s1
HMDB07389	DG(20:1(11Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3/b16-14-,18-17-/t37-/m0/s1
HMDB07386	DG(20:1(11Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,16-17,35,38H,3-9,11,13-15,18-34H2,1-2H3/b12-10-,17-16-/t35-/m0/s1
HMDB07387	DG(20:1(11Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,36,39H,3-16,19-35H2,1-2H3/b18-17-/t36-/m0/s1
HMDB07384	DG(20:0/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-/t45-/m0/s1
HMDB07385	DG(20:1(11Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h16-17,35,38H,3-15,18-34H2,1-2H3/b17-16-/t35-/m0/s1
HMDB07382	DG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,34,36,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-,36-34-/t43-/m0/s1
HMDB07383	DG(20:0/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3/t45-/m0/s1
HMDB07380	DG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,34,36,43,46H,3-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,19-17-,24-22-,30-28-,36-34-/t43-/m0/s1
HMDB07381	DG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-/t43-/m0/s1
HMDB12007	Ganglioside GT1c (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C90H154N4O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-49(106)48(94-60(111)30-28-26-24-21-16-14-12-10-8-2)42-128-82-72(120)70(118)75(58(40-100)131-82)134-84-73(121)80(76(59(41-101)132-84)135-81-47(31-43(3)102)74(66(114)55(37-97)129-81)133-83-71(119)69(117)65(113)54(36-96)130-83)141-90(87(126)127)34-52(109)63(93-46(6)105)79(140-90)68(116)57(39-99)137-89(86(124)125)33-51(108)62(92-45(5)104)78(139-89)67(115)56(38-98)136-88(85(122)123)32-50(107)61(91-44(4)103)77(138-88)64(112)53(110)35-95/h27,29,47-59,61-84,95-101,106-110,112-121H,7-26,28,30-42H2,1-6H3,(H,91,103)(H,92,104)(H,93,105)(H,94,111)(H,122,123)(H,124,125)(H,126,127)/b29-27+/t47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69+,70-,71-,72-,73-,74-,75-,76+,77?,78?,79?,80-,81+,82-,83+,84+,88-,89-,90+/m1/s1
HMDB12006	Ganglioside GT1c (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C104H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h21-22,61-73,75-98,109-115,120-124,126-135H,7-20,23-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b22-21-/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89-,90+,91?,92?,93?,94-,95+,96-,97+,98+,102-,103-,104+/m1/s1
HMDB12005	Ganglioside GT1c (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C104H184N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h61-73,75-98,109-115,120-124,126-135H,7-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89-,90+,91?,92?,93?,94-,95+,96-,97+,98+,102-,103-,104+/m1/s1
HMDB12004	Ganglioside GT1c (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C103H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(124)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-85(133)83(131)88(71(53-113)144-95)147-97-86(134)93(89(72(54-114)145-97)148-94-60(44-56(3)115)87(79(127)68(50-110)142-94)146-96-84(132)82(130)78(126)67(49-109)143-96)154-103(100(139)140)47-65(122)76(106-59(6)118)92(153-103)81(129)70(52-112)150-102(99(137)138)46-64(121)75(105-58(5)117)91(152-102)80(128)69(51-111)149-101(98(135)136)45-63(120)74(104-57(4)116)90(151-101)77(125)66(123)48-108/h60-72,74-97,108-114,119-123,125-134H,7-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,124)(H,135,136)(H,137,138)(H,139,140)/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78+,79+,80-,81-,82+,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93-,94+,95-,96+,97+,101-,102-,103+/m1/s1
HMDB12003	Ganglioside GT1c (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C102H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(123)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-84(132)82(130)87(70(52-112)143-94)146-96-85(133)92(88(71(53-113)144-96)147-93-59(43-55(3)114)86(78(126)67(49-109)141-93)145-95-83(131)81(129)77(125)66(48-108)142-95)153-102(99(138)139)46-64(121)75(105-58(6)117)91(152-102)80(128)69(51-111)149-101(98(136)137)45-63(120)74(104-57(5)116)90(151-101)79(127)68(50-110)148-100(97(134)135)44-62(119)73(103-56(4)115)89(150-100)76(124)65(122)47-107/h21-22,59-71,73-96,107-113,118-122,124-133H,7-20,23-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/b22-21-/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77+,78+,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92-,93+,94-,95+,96+,100-,101-,102+/m1/s1
HMDB12002	Ganglioside GT1c (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C102H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(123)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-84(132)82(130)87(70(52-112)143-94)146-96-85(133)92(88(71(53-113)144-96)147-93-59(43-55(3)114)86(78(126)67(49-109)141-93)145-95-83(131)81(129)77(125)66(48-108)142-95)153-102(99(138)139)46-64(121)75(105-58(6)117)91(152-102)80(128)69(51-111)149-101(98(136)137)45-63(120)74(104-57(5)116)90(151-101)79(127)68(50-110)148-100(97(134)135)44-62(119)73(103-56(4)115)89(150-100)76(124)65(122)47-107/h59-71,73-96,107-113,118-122,124-133H,7-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77+,78+,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92-,93+,94-,95+,96+,100-,101-,102+/m1/s1
HMDB12001	Ganglioside GT1c (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C101H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(122)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-83(131)81(129)86(69(51-111)142-93)145-95-84(132)91(87(70(52-112)143-95)146-92-58(42-54(3)113)85(77(125)66(48-108)140-92)144-94-82(130)80(128)76(124)65(47-107)141-94)152-101(98(137)138)45-63(120)74(104-57(6)116)90(151-101)79(127)68(50-110)148-100(97(135)136)44-62(119)73(103-56(5)115)89(150-100)78(126)67(49-109)147-99(96(133)134)43-61(118)72(102-55(4)114)88(149-99)75(123)64(121)46-106/h58-70,72-95,106-112,117-121,123-132H,7-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,122)(H,133,134)(H,135,136)(H,137,138)/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76+,77+,78-,79-,80+,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91-,92+,93-,94+,95+,99-,100-,101+/m1/s1
HMDB12000	Ganglioside GT1c (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C100H174N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h21-22,57-69,71-94,105-111,116-120,122-131H,7-20,23-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b22-21-/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1
HMDB29441	Isoalliin	C\C=C/S(=O)CC(N)C(O)=O	InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-
HMDB29440	trans-S-(1-Propenyl)-L-cysteine	C\C=C/SCC(N)C(O)=O	InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-
HMDB29443	L-Pyridosine	CC1=CC(=O)C(O)=CN1CCCCC(N)C(O)=O	InChI=1S/C12H18N2O4/c1-8-6-10(15)11(16)7-14(8)5-3-2-4-9(13)12(17)18/h6-7,9,16H,2-5,13H2,1H3,(H,17,18)
HMDB29442	(R)C(R)S-S-Propylcysteine sulfoxide	CCCS(=O)CC(N)C(O)=O	InChI=1S/C6H13NO3S/c1-2-3-11(10)4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
HMDB29445	L-Agaridoxin	NC(CCC(=O)NC1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C11H14N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,14-15H,2,4,12H2,(H,13,16)(H,17,18)
HMDB29444	2-Pyrrolidineacetic acid	OC(=O)CC1CCCN1	InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)
HMDB29447	Lysinoalanine	NC(CCCCNCC(N)C(O)=O)C(O)=O	InChI=1S/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)
HMDB12008	Ganglioside GT1c (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C92H158N4O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-51(108)50(96-62(113)32-30-28-26-24-21-18-16-14-12-10-8-2)44-130-84-74(122)72(120)77(60(42-102)133-84)136-86-75(123)82(78(61(43-103)134-86)137-83-49(33-45(3)104)76(68(116)57(39-99)131-83)135-85-73(121)71(119)67(115)56(38-98)132-85)143-92(89(128)129)36-54(111)65(95-48(6)107)81(142-92)70(118)59(41-101)139-91(88(126)127)35-53(110)64(94-47(5)106)80(141-91)69(117)58(40-100)138-90(87(124)125)34-52(109)63(93-46(4)105)79(140-90)66(114)55(112)37-97/h29,31,49-61,63-86,97-103,108-112,114-123H,7-28,30,32-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,113)(H,124,125)(H,126,127)(H,128,129)/b31-29+/t49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81?,82-,83+,84-,85+,86+,90-,91-,92+/m1/s1
HMDB53167	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-35,37-38,54H,4-8,10-11,13-15,22-24,31-33,36,39-53H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB53166	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB53165	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-45,49-50,52-53,62H,4-6,8-9,11-15,22-24,30-31,37-39,46-48,51,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB53164	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-45,50,53,62H,4-6,8-9,11-15,22-24,30-31,37-39,46-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,53-50-
HMDB53163	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-7,9-10,12-15,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB53162	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-7,9-10,12-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-
HMDB53161	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-33,37-42,46,49,58H,4-7,9-10,12-15,22-24,29,34-36,43-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-,49-46-
HMDB53160	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-33,37,39-40,42,46,49,58H,4-7,9-10,12-15,22-24,29,34-36,38,41,43-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,42-39-,49-46-
HMDB53169	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-32,34,36,39,56H,4-8,10-11,13-15,22-24,29,33,35,37-38,40-55H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-
HMDB53168	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16-18,20-22,25-27,29-30,35,38,55H,4-8,10-11,14-15,19,23-24,28,31-34,36-37,39-54H2,1-3H3/b12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-
HMDB51235	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,36-37,39-40,46,49,62H,4-15,18,21-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB58891	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB51234	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,36,39,45,48,61H,4-14,17,20-23,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,39-36-,48-45-
HMDB50987	TG(20:3(5Z,8Z,11Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-16,18-19,21-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB57513	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h21,25-28,30-33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,29,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB47328	TG(24:0/22:1(13Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,65H,4-14,16-17,19-23,25,28,30-64H2,1-3H3/b18-15-,27-24-,29-26-
HMDB58191	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,37,39-41,48,52,60,64,79-81,86H,5-20,22-24,26,28-30,32,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB51236	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,36-37,39-40,45-46,48-49,62H,4-15,18,21-24,31-35,38,41-44,47,50-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB55648	TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-6,8,11,13-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-
HMDB55649	TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-6,8,11,13-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-
HMDB06260	Trans-2-all-cis-6,9,12,15,18,21-tetracosaheptaenoyl-CoA	CC\C=C\C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C45H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5+,9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38+,39+,40?,44-/m0/s1
HMDB06267	Clupanodonyl CoA	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36+,37+,38?,42-/m0/s1
HMDB55640	TG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,61H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-
HMDB55641	TG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,32,35-37,39-41,44,62H,4-7,10,13-15,22-24,31,33-34,38,42-43,45-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-
HMDB06268	N-Acetylneuraminate 9-phosphate	CC(=O)N[C@H]1[C@H](O)CC(O)(O[C@@H]1[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O	InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6-,7+,8-,9+,11?/m1/s1
HMDB55643	TG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-6,8,11,13-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB55644	TG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-6,8,11,13-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-
HMDB55645	TG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-
HMDB55646	TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,32,35-37,39-41,44,50,53,62H,4-7,10,13-15,22-24,31,33-34,38,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,53-50-
HMDB55647	TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,32,35-37,39-41,44-45,48,50,53,62H,4-7,10,13-15,22-24,31,33-34,38,42-43,46-47,49,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,53-50-
HMDB52696	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28-30,34-35,60H,4-15,17-18,22,26-27,31-33,36-59H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-29-,35-30-
HMDB52697	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,33-34,39,42,59H,4-15,17,22,24,26,30-32,35-38,40-41,43-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,33-27-,34-29-,42-39-
HMDB52694	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,46,48-49,51,61H,4-6,8-9,11-15,18,22-23,27,31,33,36,38,41,43-45,47,50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-,51-48-
HMDB52695	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,36,42,45,58H,4-15,17-18,21-22,24,26-27,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,36-33-,45-42-
HMDB52692	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-35,37-38,43-44,46-47,59H,4-6,8-9,11-15,18,22-23,27,31-32,36,39-42,45,48-58H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-
HMDB52693	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,46,49,61H,4-6,8-9,11-15,18,22-23,27,31,33,36,38,41,43-45,47-48,50-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-
HMDB52690	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,36-37,40,42,45,57H,4-8,10-11,13-15,17,22,24,26,30,34-35,38-39,41,43-44,46-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-,45-42-
HMDB52691	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-35,37-38,44,47,59H,4-6,8-9,11-15,18,22-23,27,31-32,36,39-43,45-46,48-58H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,47-44-
HMDB47329	TG(24:0/22:1(13Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,66H,4-17,19-20,22-25,28,31-39,41-42,44-65H2,1-3H3/b21-18-,29-26-,30-27-,43-40-
HMDB51231	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,40,43,49,52,66H,4-16,18-19,21-24,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB52698	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14,16-17,19,21,23-26,28,30,35,60H,4-13,15,18,20,22,27,29,31-34,36-59H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,35-30-
HMDB52699	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,35-36,39,61H,4-15,18,22-23,27,31-34,37-38,40-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,39-36-
HMDB51230	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,41,47,50,64H,4-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB52348	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,47,50,63H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-,50-47-
HMDB50982	TG(20:3(5Z,8Z,11Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,38,41,47,50,63H,4-14,16-17,19-23,25,28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b18-15-,27-24-,29-26-,41-38-,50-47-
HMDB52344	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,38,40-41,43,49,52,64H,4-7,10,13-16,19,22-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB52345	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,38,40-41,43,47,49-50,52,64H,4-7,10,13-16,19,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB52346	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,42-43,45-46,51,54,66H,4-7,10,13-16,19,22-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB52347	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,10,13-16,19,22-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB52340	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,42-43,45-46,51,54,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB52341	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB52342	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36,38,41,47,50,62H,4-7,10,13-16,19,22-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,50-47-
HMDB52343	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36,38,41-42,45,47,50,62H,4-7,10,13-16,19,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB57484	CL(16:1(9Z)/16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,29,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1
HMDB57485	CL(16:1(9Z)/16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H136O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,29,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB57486	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-27,29-31,69-71,76H,5-24,28,32-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-,31-27-/t69?,70-,71-/m1/s1
HMDB57487	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25,27-29,31-32,71-73,78H,5-24,26,30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB57480	CL(16:1(9Z)/16:1(9Z)/16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H138O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-28,30-34,69-71,76H,5-25,29,35-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,32-28-,34-33-/t69?,70-,71-/m1/s1
HMDB57481	CL(16:1(9Z)/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C76H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-32,34-35,70-72,77H,5-24,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,31-27-,32-28-,35-34-/t70?,71-,72-/m1/s1
HMDB57482	CL(16:1(9Z)/16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H136O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-28,30-34,36,40,48,52,71-73,78H,5-20,22-24,29,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,31-27-,32-28-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1
HMDB57483	CL(16:1(9Z)/16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-28,30-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,29,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB57488	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H138O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-32,69-71,76H,5-24,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-,31-27-,32-28-/t69?,70-,71-/m1/s1
HMDB57489	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25-32,71-73,78H,5-24,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB56744	CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C77H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-34,36,40,48,52,71-73,78H,5-20,22-24,27,29,31,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,32-28-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1
HMDB47402	TG(24:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,39,44-45,47-48,62H,4-16,19,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB57510	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,27-29,31-32,34-37,72-74,79H,5-24,26,30,33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB54599	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33,36,40-41,43-44,50,53,64H,4-6,8,11,13-15,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB54598	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33,36,40-41,43-44,64H,4-6,8,11,13-15,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-
HMDB54593	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,40-41,43-44,50,53,64H,4-8,10-11,13-15,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB54592	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,40-41,43-44,64H,4-8,10-11,13-15,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-
HMDB54591	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,40,43,64H,4-8,10-11,13-15,22-24,31-39,41-42,44-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB54590	TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,33,40,43,59H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-39,41-42,44-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-,43-40-
HMDB54597	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,36,38-39,41,45,48,62H,4-7,10,13-15,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB54596	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,36,38-39,41,62H,4-7,10,13-15,22-24,31-35,37,40,42-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-
HMDB54595	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34,36,39-40,43,60H,4-7,10,13-15,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-
HMDB54594	TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34,36,39,60H,4-7,10,13-15,22-24,30-33,35,37-38,40-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-
HMDB42103	TG(14:0/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h24-25,27-28,33,36,49H,4-23,26,29-32,34-35,37-48H2,1-3H3/b25-24-,28-27-,36-33-
HMDB07609	DG(22:0/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,45,48H,3-17,19,21-44H2,1-2H3/b20-18-/t45-/m0/s1
HMDB07608	DG(22:0/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3/t45-/m0/s1
HMDB10339	3-alpha-androstanediol glucuronide	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O	InChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18?,19-,20+,21?,23-,24-,25-/m0/s1
HMDB10338	11-Oxo-androsterone glucuronide	CC12CC(=O)C3C(CCC4CC(CCC34C)OC3OC(C(O)C(O)C3O)C(O)=O)C1CCC2=O	InChI=1S/C25H36O9/c1-24-8-7-12(33-23-20(30)18(28)19(29)21(34-23)22(31)32)9-11(24)3-4-13-14-5-6-16(27)25(14,2)10-15(26)17(13)24/h11-14,17-21,23,28-30H,3-10H2,1-2H3,(H,31,32)
HMDB07603	DG(22:0/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,26,28,32,34,43,46H,3-17,19,21-25,27,29-31,33,35-42H2,1-2H3/b20-18-,28-26-,34-32-/t43-/m0/s1
HMDB07602	DG(22:0/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,43,46H,3-11,13,15-17,19,21-42H2,1-2H3/b14-12-,20-18-/t43-/m0/s1
HMDB07601	DG(22:0/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,43,46H,3-17,19,21-42H2,1-2H3/b20-18-/t43-/m0/s1
HMDB07600	DG(22:0/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1
HMDB07607	DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,26,28,32,34,43,46H,3-5,7,9-11,13,15-17,19,21-25,27,29-31,33,35-42H2,1-2H3/b8-6-,14-12-,20-18-,28-26-,34-32-/t43-/m0/s1
HMDB07606	DG(22:0/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,26,28,43,46H,3-5,7,9-11,13,15-17,19,21-25,27,29-42H2,1-2H3/b8-6-,14-12-,20-18-,28-26-/t43-/m0/s1
HMDB07605	DG(22:0/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,32,34,43,46H,3-11,13,15-17,19,21-25,27,29-31,33,35-42H2,1-2H3/b14-12-,20-18-,28-26-,34-32-/t43-/m0/s1
HMDB07604	DG(22:0/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,43,46H,3-11,13,15-17,19,21-25,27,29-42H2,1-2H3/b14-12-,20-18-,28-26-/t43-/m0/s1
HMDB12780	4-Hydroxyestrone-2-S-glutathione	C[C@]12CCC3C(CCC4=C3C=C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=C4O)C1CCC2=O	InChI=1S/C28H37N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)32)2-3-15-16(13)10-20(25(37)24(15)36)41-12-19(26(38)30-11-23(34)35)31-22(33)7-5-18(29)27(39)40/h10,13-14,17-19,36-37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,39,40)/t13?,14?,17?,18-,19-,28+/m1/s1
HMDB12782	4-methoxy-17beta-estradiol	COC1=C2CCC3C4CC[C@H](O)[C@@]4(C)CCC3C2=CC=C1O	InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12?,13?,15?,17-,19-/m0/s1
HMDB12788	4-OH-Retinal	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCC(O)C1(C)C)=C/C=O	InChI=1S/C20H28O2/c1-15(7-6-8-16(2)13-14-21)9-11-18-17(3)10-12-19(22)20(18,4)5/h6-9,11,13-14,19,22H,10,12H2,1-5H3/b8-6+,11-9+,15-7+,16-13+
HMDB12789	4-Oxo-13-cis-retinoate	C\C(\C=C\C1=C(C)CCC(=O)C1(C)C)=C/C=C/C(/C)=C\C(O)=O	InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/b8-6+,11-9+,14-7+,15-13-
HMDB48501	TG(16:1(9Z)/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20-21,23-24,52H,4-19,22,25-51H2,1-3H3/b23-20-,24-21-
HMDB48500	TG(16:1(9Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,53H,4-20,22-23,25-52H2,1-3H3/b24-21-
HMDB02541	Galactonolactone	O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C6H10O6/c7-2-1-12-6(11)5(10)4(9)3(2)8/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1
HMDB48502	TG(16:1(9Z)/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-
HMDB48505	TG(16:1(9Z)/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,31,34,40,43,56H,4-20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b24-21-,27-25-,34-31-,43-40-
HMDB02545	Galacturonic acid	O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1
HMDB48506	TG(16:1(9Z)/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-
HMDB48509	TG(16:1(9Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,38,54H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-53H2,1-3H3/b20-17-,24-21-,29-26-,38-35-
HMDB48508	TG(16:1(9Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,30,55H,4-19,22,25-27,29,31-54H2,1-3H3/b23-20-,24-21-,30-28-
HMDB41623	N6-Carbamoyl-L-threonyladenosine	C[C@@H](O)[C@H](NC(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O	InChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1
HMDB41622	N-Acetylgalactosaminyl lactose	CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O	InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)10(26)6(2-22)34-19(9)37-17-11(27)7(3-23)35-20(15(17)31)36-16-8(4-24)33-18(32)14(30)13(16)29/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15-,16-,17+,18-,19-,20+/m1/s1
HMDB41621	6'-Sialyllactosamine	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)[C@H](O)[C@@H](O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O	InChI=1S/C23H40N2O18/c1-7(29)25-13-9(30)2-23(22(38)39,43-20(13)15(34)10(31)4-27)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-28)14(33)8(24)3-26/h3,8-21,27-28,30-37H,2,4-6,24H2,1H3,(H,25,29)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1
HMDB41620	17-Beta-Estradiol-3,17-beta-sulfate	[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS(O)(=O)=O)C=C3CC[C@@]21[H]	InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1
HMDB41627	Lactose; b-form	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
HMDB53900	TG(20:3n6/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36-37,39-40,62H,4-7,9-10,12-15,22-24,31-35,38,41-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-
HMDB53903	TG(20:3n6/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,38,41-42,45,51,54,64H,4-6,8-9,11-15,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB41624	Phosphocreatinine	CN1CC(=O)NC1=NP(O)(O)=O	InChI=1S/C4H8N3O4P/c1-7-2-3(8)5-4(7)6-12(9,10)11/h2H2,1H3,(H3,5,6,8,9,10,11)
HMDB41629	(3S,6E)-Nerolidol	C\C(CCC=C)=C/CC[C@](C)(O)C=C	InChI=1S/C13H22O/c1-5-7-9-12(3)10-8-11-13(4,14)6-2/h5-6,10,14H,1-2,7-9,11H2,3-4H3/b12-10+/t13-/m1/s1
HMDB41628	(+)-Neoisomenthol	CC(C)[C@H]1CC[C@@H](C)C[C@H]1O	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
HMDB53909	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-
HMDB53908	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-46,64H,4-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB49454	TG(18:1(11Z)/20:3n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,36,39,60H,4-16,18-19,22-23,27,30-35,37-38,40-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-36-
HMDB49455	TG(18:1(11Z)/20:3n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,38,41,62H,4-16,18-19,22-23,27,30-37,39-40,42-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,41-38-
HMDB49456	TG(18:1(11Z)/20:3n6/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,32-33,36,57H,4-15,17-18,22,26-27,30-31,34-35,37-56H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-29-,36-33-
HMDB49457	TG(18:1(11Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30,32,35-36,39,56H,4-15,18,22-23,27,29,31,33-34,37-38,40-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-
HMDB49450	TG(18:1(11Z)/20:3n6/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,32,35,56H,4-15,17-18,22,26-27,29-31,33-34,36-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,35-32-
HMDB44848	TG(18:0/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,42,45,64H,4-16,18-19,21-25,27-28,30-33,35,37-41,43-44,46-63H2,1-3H3/b20-17-,29-26-,36-34-,45-42-
HMDB49452	TG(18:1(11Z)/20:3n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,37,58H,4-16,18-19,22-23,27,30-33,35-36,38-57H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-34-
HMDB49453	TG(18:1(11Z)/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,33-34,36-37,42,45,58H,4-16,18-19,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB49458	TG(18:1(11Z)/20:3n6/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,33,36,57H,4-13,15,18,20,22,27,29-32,34-35,37-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,36-33-
HMDB49459	TG(18:1(11Z)/20:3n6/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-34,36-37,58H,4-15,18,22-23,27,30-32,35,38-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-
HMDB12874	9,13-cis-retinoate	C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C/C(O)=O	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14-
HMDB13471	LPS core	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O[C@@]4(C[C@@H](OP(O)(=O)OCCN)[C@H](O)[C@H](O4)[C@@H](O)CO)C(O)=O)[C@H](O)[C@H](O3)[C@@H](O)CO)C(O)=O)[C@H](OC3O[C@H]([C@@H](O)CO)[C@@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](OC4O[C@H]([C@@H](O)COC5O[C@H]([C@@H](O)CO)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](OC5O[C@H](CO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O2)[C@@H](O)CO)C(O)=O)[C@H]1OP(O)(O)=O	InChI=1S/C175H317N5O101P6/c1-8-14-20-26-32-38-39-45-51-57-63-69-118(202)252-98(67-61-55-49-43-36-30-24-18-12-5)77-120(204)261-152-123(180-116(200)76-97(66-60-54-48-42-35-29-23-17-11-4)251-117(201)68-62-56-50-44-37-31-25-19-13-6)160(246-91-112-130(211)151(260-119(203)75-96(192)65-59-53-47-41-34-28-22-16-10-3)122(162(257-112)280-284(236,237)238)179-115(199)74-95(191)64-58-52-46-40-33-27-21-15-9-2)259-114(150(152)277-282(230,231)232)93-248-173(170(224)225)80-107(272-174(171(226)227)78-105(128(209)144(273-174)99(193)81-181)271-175(172(228)229)79-106(276-285(239,240)249-72-70-176)129(210)145(274-175)100(194)82-182)149(148(275-173)103(197)85-185)265-167-142(223)155(159(147(264-167)102(196)84-184)279-287(243,244)281-286(241,242)250-73-71-177)268-166-141(222)154(139(220)143(262-166)104(198)90-245-164-138(219)136(217)156(278-283(233,234)235)146(263-164)101(195)83-183)266-165-140(221)153(131(212)113(258-165)92-247-163-137(218)133(214)125(206)109(87-187)254-163)267-168-158(135(216)127(208)110(88-188)255-168)270-169-157(134(215)126(207)111(89-189)256-169)269-161-121(178-94(7)190)132(213)124(205)108(86-186)253-161/h95-114,121-169,181-189,191-198,205-223H,8-93,176-177H2,1-7H3,(H,178,190)(H,179,199)(H,180,200)(H,224,225)(H,226,227)(H,228,229)(H,239,240)(H,241,242)(H,243,244)(H2,230,231,232)(H2,233,234,235)(H2,236,237,238)/t95-,96-,97-,98-,99+,100+,101+,102+,103+,104+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,121-,122-,123-,124-,125+,126-,127+,128+,129+,130-,131-,132-,133+,134+,135+,136-,137-,138+,139-,140-,141+,142+,143-,144-,145-,146-,147-,148-,149+,150-,151-,152-,153+,154+,155-,156+,157-,158-,159-,160-,161+,162-,163+,164?,165?,166?,167?,168-,169?,173-,174-,175-/m1/s1
HMDB13470	LPS with O-antigen	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O[C@@]4(C[C@@H](OP(O)(=O)OCCN)[C@H](O)[C@H](O4)[C@@H](O)CO)C(O)=O)[C@H](O)[C@H](O3)[C@@H](O)CO)C(O)=O)[C@H](OC3O[C@H]([C@@H](O)CO)[C@@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](OC4O[C@H]([C@@H](O)COC5O[C@H]([C@@H](O)CO)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](OC5O[C@H](CO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8NC(C)=O)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO[C@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]9O)[C@H]8NC(C)=O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O2)[C@@H](O)CO)C(O)=O)[C@H]1OP(O)(O)=O	InChI=1S/C211H376N8O126P6/c1-11-17-23-29-35-41-42-48-54-60-66-72-134(247)308-109(70-64-58-52-46-39-33-27-21-15-5)80-136(249)322-182-142(219-132(245)79-108(69-63-57-51-45-38-32-26-20-14-4)307-133(246)71-65-59-53-47-40-34-28-22-16-6)192(301-99-128-153(260)179(321-135(248)78-107(237)68-62-56-50-44-37-31-25-19-13-3)141(196(317-128)344-348(290,291)292)218-131(244)77-106(236)67-61-55-49-43-36-30-24-18-12-2)320-130(178(182)341-346(284,285)286)101-304-209(206(278)279)83-118(336-210(207(280)281)81-116(149(256)172(337-210)110(238)84-220)335-211(208(282)283)82-117(340-349(293,294)305-75-73-212)150(257)173(338-211)111(239)85-221)177(176(339-209)114(242)88-224)326-203-170(277)186(189(175(325-203)113(241)87-223)343-351(297,298)345-350(295,296)306-76-74-213)332-202-169(276)184(167(274)171(323-202)115(243)96-299-199-166(273)162(269)187(342-347(287,288)289)174(324-199)112(240)86-222)329-201-168(275)183(155(262)129(319-201)100-303-198-164(271)159(266)146(253)122(92-228)313-198)330-204-188(161(268)147(254)123(93-229)314-204)333-205-190(334-193-138(215-103(8)233)157(264)144(251)120(90-226)310-193)185(152(259)125(95-231)315-205)331-195-140(217-105(10)235)181(154(261)127(316-195)98-300-191-137(214-102(7)232)156(263)143(250)119(89-225)309-191)327-194-139(216-104(9)234)180(151(258)124(94-230)311-194)328-200-165(272)160(267)148(255)126(318-200)97-302-197-163(270)158(265)145(252)121(91-227)312-197/h106-130,137-205,220-231,236-243,250-277H,11-101,212-213H2,1-10H3,(H,214,232)(H,215,233)(H,216,234)(H,217,235)(H,218,244)(H,219,245)(H,278,279)(H,280,281)(H,282,283)(H,293,294)(H,295,296)(H,297,298)(H2,284,285,286)(H2,287,288,289)(H2,290,291,292)/t106-,107-,108-,109-,110+,111+,112+,113+,114+,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,137-,138-,139-,140-,141-,142-,143-,144-,145+,146+,147+,148+,149+,150+,151+,152-,153-,154+,155-,156-,157-,158+,159+,160+,161+,162-,163-,164-,165-,166+,167-,168-,169+,170+,171-,172-,173-,174-,175-,176-,177+,178-,179-,180-,181-,182-,183+,184+,185+,186-,187+,188-,189-,190-,191-,192-,193+,194+,195+,196-,197+,198+,199?,200-,201?,202?,203?,204-,205?,209-,210-,211-/m1/s1
HMDB56742	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,41-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,27-32,35,38-40,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,45-41-,46-42-,57-53-,58-54-/t77?,78-,79-/m1/s1
HMDB07284	DG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,39,42H,3-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1
HMDB36010	Cinnzeylanol	CC(C)C1(O)CC2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C	InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3
HMDB13472	PGP(16:0/16:0)	[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C38H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39H,3-34H2,1-2H3,(H,45,46)(H2,42,43,44)/t35-,36+/m0/s1
HMDB50458	TG(20:1(11Z)/16:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,55H,4-13,15-16,18-20,22,28-54H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB50459	TG(20:1(11Z)/16:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,56H,4-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-
HMDB50456	TG(20:1(11Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,30,55H,4-19,22,26,29,31-54H2,1-3H3/b23-20-,24-21-,27-25-,30-28-
HMDB13475	PGP(16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41H,3-12,14,16-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-13-/t37-,38+/m0/s1
HMDB50454	TG(20:1(11Z)/16:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,58H,4-20,22-23,29-57H2,1-3H3/b24-21-,27-25-,28-26-
HMDB50455	TG(20:1(11Z)/16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-
HMDB50452	TG(20:1(11Z)/16:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,56H,4-20,22-23,29-55H2,1-3H3/b24-21-,27-25-,28-26-
HMDB50453	TG(20:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,31,34,39,42,56H,4-20,22-23,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,42-39-
HMDB50450	TG(20:1(11Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,35,38,43,46,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,46-43-
HMDB36017	Mangiferursanone	CC1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-23,25H,9-18H2,1-8H3
HMDB13477	PGP(16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41H,3-10,12,14-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,18-17-/t37-,38+/m0/s1
HMDB56743	CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36,40,48,52,71-73,78H,5-20,22-24,27-29,31-32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1
HMDB13476	PGP(16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1
HMDB00378	2-Methylbutyroylcarnitine	CCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
HMDB00379	2-Methylcitric acid	CC(C(O)=O)C(O)(CC(O)=O)C(O)=O	InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
HMDB00372	16-Oxoestrone	C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC(=O)C2=O	InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13?,14?,15?,18-/m0/s1
HMDB56825	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-54,56-58,65,69,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,55,59-64,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-/t85?,86-,87-/m1/s1
HMDB00370	2-Amino-3-phosphonopropionic acid	NC(CP(O)(O)=O)C(O)=O	InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
HMDB00371	1,3,12-Trihydroxycholan-24-oic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])CCC2CC(O)CC(O)[C@]12C	InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15?,16+,17-,18+,19+,20?,21?,23+,24-/m1/s1
HMDB00376	3b,7a,12a-Trihydroxy-5a-Cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
HMDB00377	3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18-,20+,21+,22-,23-,24-/m1/s1
HMDB00374	17-Hydroxyprogesterone	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
HMDB00375	3-(3-Hydroxyphenyl)propanoic acid	OC(=O)CCC1=CC=CC(O)=C1	InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
HMDB47324	TG(24:0/22:1(13Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,68H,4-25,28,31-67H2,1-3H3/b29-26-,30-27-
HMDB56827	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56826	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-54,56-58,65-66,69-70,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,55,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB03633	N-Methyltyramine	CNCCC1=CC=C(O)C=C1	InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
HMDB03634	Perillyl alcohol	CC(=C)C1CCC(CO)=CC1	InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
HMDB32129	2',5'-Dihydroxychalcone	OC1=CC(C(=O)\C=C\C2=CC=CC=C2)=C(O)C=C1	InChI=1S/C15H12O3/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,16,18H/b8-6+
HMDB32126	zeta-Carotene epoxide	CC(C)=CCC\C(C)=C/CC\C(C)=C\C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)CC\C=C(\C)CCC1OC1(C)C	InChI=1S/C40H60O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-15,18-20,22-26,29,39H,13,16-17,21,27-28,30-31H2,1-10H3/b12-11+,22-14-,23-15+,33-19+,34-20+,35-24-,36-25+,37-26-,38-29-
HMDB32127	Clofenotane	ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl	InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
HMDB32124	Methyl 3-(methylsulfinyl)-1-propenyl disulfide	CSS\C=C\CS(C)=O	InChI=1S/C5H10OS3/c1-7-8-4-3-5-9(2)6/h3-4H,5H2,1-2H3/b4-3+
HMDB32125	(S)-25-Hydroxy-14,16-hentriacontanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(O)CCCCCC	InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-18-22-26-30(33)28-31(34)27-23-19-16-15-17-21-25-29(32)24-20-8-6-4-2/h29,32H,3-28H2,1-2H3
HMDB32122	3(4-&gt;5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol	CC12CCC(O)C11CC(CC2)C2(C)COC1(C)O2	InChI=1S/C15H24O3/c1-12-6-4-10-8-15(12,11(16)5-7-12)14(3)17-9-13(10,2)18-14/h10-11,16H,4-9H2,1-3H3
HMDB32123	(3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC12C	InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+
HMDB32120	2,6-Dimethyl-1,7-octadien-3-one	CC(CCC(=O)C(C)=C)C=C	InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,9H,1-2,6-7H2,3-4H3
HMDB32121	Annuionone B	CC(=O)\C=C\C1C2(C)COC1(C)CC(=O)C2	InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3/b5-4+
HMDB47504	TG(24:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,66H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-
HMDB47505	TG(24:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,49,52,66H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-,52-49-
HMDB47506	TG(24:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-
HMDB47507	TG(24:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB47500	TG(24:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,39,45,48,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-
HMDB47501	TG(24:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB47502	TG(24:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-
HMDB47503	TG(24:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,44,47,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-,47-44-
HMDB53853	TG(20:3n6/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-41,43-44,58H,4-6,8-9,11-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-
HMDB47508	TG(24:0/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,65H,4-16,18-19,21-25,27-28,30-64H2,1-3H3/b20-17-,29-26-
HMDB47509	TG(24:0/22:4(7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C73H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,43,49,52,70H,4-17,19-20,22-26,28-29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b21-18-,30-27-,43-38-,52-49-
HMDB53852	TG(20:3n6/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40,43,58H,4-6,8-9,11-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-
HMDB51376	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-36,39-40,43,45,48-49,52,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-,52-49-
HMDB46405	TG(22:0/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
HMDB46894	TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-
HMDB53851	TG(20:3n6/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,36,38-39,41,56H,4-7,9-10,12-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-
HMDB53850	TG(20:3n6/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,38,41,56H,4-7,9-10,12-15,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-
HMDB47326	TG(24:0/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,39,65H,4-20,22-23,25,27-28,31-38,40-64H2,1-3H3/b24-21-,29-26-,39-30-
HMDB34627	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 8CI; (R)-form, 3',4'-Di-Me ether, 2-O-b-D-glucopyranoside	COC1=C(OC)C=C(C=C1)C(O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H24O9/c1-22-10-4-3-8(5-11(10)23-2)9(18)7-24-16-15(21)14(20)13(19)12(6-17)25-16/h3-5,9,12-21H,6-7H2,1-2H3
HMDB34626	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 8CI; (R)-form, 3',4'-Di-Me ether, 1-O-b-D-glucopyranoside	COC1=C(OC)C=C(C=C1)C(CO)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H24O9/c1-22-9-4-3-8(5-10(9)23-2)11(6-17)24-16-15(21)14(20)13(19)12(7-18)25-16/h3-5,11-21H,6-7H2,1-2H3
HMDB34625	Vinaginsenoside R2	CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3
HMDB51377	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-6,8-9,11-15,17,20,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB32694	Quinquenoside L1	CC(=C)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H80O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h9-10,23-43,49-60H,1,11-21H2,2-8H3/b10-9+
HMDB32695	Barpisoflavone A	COC1=CC(O)=CC2=C1C(=O)C(=CO2)C1=C(O)C=C(O)C=C1	InChI=1S/C16H12O6/c1-21-13-5-9(18)6-14-15(13)16(20)11(7-22-14)10-3-2-8(17)4-12(10)19/h2-7,17-19H,1H3
HMDB32696	Cajanin	COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=C(O)C=C(O)C=C1	InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
HMDB32697	Furanoeudesm-4(15)-en-1-ol; 1b-form, Ac	CC(=O)OC1CCC(=C)C2CC3=C(CC12C)OC=C3C	InChI=1S/C17H22O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h9,14,16H,1,5-8H2,2-4H3
HMDB32690	(3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one	CC(C)C(C)\C=C\C(C)C1CCC2(O)C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC12C	InChI=1S/C28H44O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,29,31-33H,9-14,16H2,1-6H3/b8-7+
HMDB32691	(3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol	CC(C)C(C)\C=C\C(C)C1CCC2(O)C3=C(CCC12C)C1(C)CCC(O)CC11OC1C3O	InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-11-14-27(31)22-21(10-13-25(20,27)5)26(6)12-9-19(29)15-28(26)24(32-28)23(22)30/h7-8,16-20,23-24,29-31H,9-15H2,1-6H3/b8-7+
HMDB32692	Chinenoside VI	CC1C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)OC11CC(OC2OC(CO)C(O)C(O)C2O)C(C)CO1	InChI=1S/C44H70O19/c1-17-14-58-44(12-27(17)60-41-38(55)34(51)32(49)28(13-45)61-41)18(2)30-26(63-44)11-22-20-10-24(46)23-9-19(5-7-42(23,3)21(20)6-8-43(22,30)4)59-40-37(54)35(52)33(50)29(62-40)16-57-39-36(53)31(48)25(47)15-56-39/h17-23,25-41,45,47-55H,5-16H2,1-4H3
HMDB32693	Bullacin B	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CCCC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-16-13-10-9-11-14-19-30(38)20-17-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB34623	2-Amino-4,8-octadecadiene-1,3-diol; (2S,3R,4E,8Z)-form, N-Hexadecanoyl, 1-O-b-D-glucopyranoside	CCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CCCCCCCCC	InChI=1S/C40H75NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,33-35,37-40,42-43,45-47H,3-18,20,22-26,28,30-32H2,1-2H3,(H,41,44)/b21-19+,29-27+
HMDB32698	9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; Bis(2-methylpropanoyl)	CC(C)C(=O)OCC1(CO1)C1=C(OC(=O)C(C)C)C=C(C)C=C1	InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3
HMDB32699	9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; 3-(2-Methylpropanoyl), 8-(2-methylbutanoyl)	CCC(C)C(=O)OCC1(CO1)C1=C(OC(=O)C(C)C)C=C(C)C=C1	InChI=1S/C19H26O5/c1-6-14(5)18(21)22-10-19(11-23-19)15-8-7-13(4)9-16(15)24-17(20)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3
HMDB34622	Rollimusin	CCCCCCC(O)CCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-5-10-16-30(39)19-14-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-13-12-18-29(38)17-11-8-6-7-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
HMDB57101	CL(18:0/18:1(11Z)/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26-28,30-32,73-75,80H,5-25,29,33-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,32-28-/t73?,74-,75-/m1/s1
HMDB57100	CL(18:0/18:1(11Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h26-28,30-32,71-73,78H,5-25,29,33-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB57103	CL(18:0/18:1(11Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,73-75,80H,5-24,26,28,30,32-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,31-27-/t73?,74-,75-/m1/s1
HMDB57102	CL(18:0/18:1(11Z)/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-32,34,37,73-75,80H,5-26,29-30,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB57105	CL(18:0/18:1(11Z)/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,73-75,80H,5-24,26,30,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,31-27-,32-28-/t73?,74-,75-/m1/s1
HMDB34621	2-O-Acetyl-trans-coutaric acid	CC(=O)OC(C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C15H14O9/c1-8(16)23-12(14(19)20)13(15(21)22)24-11(18)7-4-9-2-5-10(17)6-3-9/h2-7,12-13,17H,1H3,(H,19,20)(H,21,22)/b7-4+
HMDB57107	CL(18:0/18:1(11Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,35,39,75-77,82H,5-24,26-27,30-31,33-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,32-28-,39-35-/t75?,76-,77-/m1/s1
HMDB49770	TG(18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,32,34,40,43,56H,4-15,17-18,20-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,34-32-,43-40-
HMDB57109	CL(18:0/18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,37,42,46,54,58,77-79,84H,5-20,22-24,26,29-30,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57108	CL(18:0/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,37,41,76-78,83H,5-24,26,30,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,32-28-,41-37-/t76?,77-,78-/m1/s1
HMDB34620	cis-Coutaric acid	[H]OC(=O)C([H])(O[H])C([H])(OC(=O)C(\[H])=C(\[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C(=O)O[H]	InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3-
HMDB51378	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,36,39-40,43,45,48-49,52,61H,4-6,8-9,11-14,17,20-23,30-31,33,35,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-,52-49-
HMDB46896	TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,40,43,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,43-40-
HMDB49506	TG(18:1(11Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,32,58H,4-7,9-10,12-15,18,22-23,27,29-31,33-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,32-26-
HMDB49507	TG(18:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,32,38,41,58H,4-7,9-10,12-15,18,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,32-26-,41-38-
HMDB49504	TG(18:1(11Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32,34,40,43,62H,4-15,18,22-23,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,43-40-
HMDB49505	TG(18:1(11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32,34,40,43,49,52,62H,4-15,18,22-23,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB49502	TG(18:1(11Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,35,38,44,47,60H,4-15,18,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,38-35-,47-44-
HMDB51379	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-6,8-9,11-15,18,21-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-
HMDB49503	TG(18:1(11Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,62H,4-15,18,22-23,27,30-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-
HMDB31761	Propyl benzoate	CCCOC(=O)C1=CC=CC=C1	InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
HMDB31760	Gentisin	COC1=CC2=C(C(O)=C1)C(=O)C1=CC(O)=CC=C1O2	InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3
HMDB31763	Jasmonic acid; 7-Epimer, 12-hydroxy, Me ester, O-b-D-glucopyranoside	COC(=O)CC1CCC(=O)C1C\C=C\CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H30O9/c1-26-15(22)9-11-6-7-13(21)12(11)5-3-2-4-8-27-19-18(25)17(24)16(23)14(10-20)28-19/h2-3,11-12,14,16-20,23-25H,4-10H2,1H3/b3-2+
HMDB31762	Carbadox	COC(=O)N\N=C\C1=N(=O)C2=C(C=CC=C2)N(=O)=C1	InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+
HMDB31764	Nifursol	OC1=C(C=C(C=C1C(=O)N\N=C/C1=CC=C(O1)N(=O)=O)N(=O)=O)N(=O)=O	InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5-
HMDB31767	Benomyl	CCCCNC(=O)N1C(NC(=O)OC)=NC2=CC=CC=C12	InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)
HMDB31766	Alachlor	CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl	InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
HMDB31769	Carbendazim	COC(=O)NC1=NC2=CC=CC=C2N1	InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
HMDB31768	Iprobenfos	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
HMDB49501	TG(18:1(11Z)/22:2(13Z,16Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,35,38,60H,4-15,18,22-23,27,30-34,36-37,39-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,38-35-
HMDB35471	2-Amino-1,3,4-octadecanetriol, 8CI; (2S,3S,4R)-form, N-(2R-Hydroxypentacosanoyl)	CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC	InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)
HMDB35470	2-Amino-1,3,4-octadecanetriol, 8CI; (2S,3S,4R)-form, N-(2R-Hydroxytricosanoyl)	CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC	InChI=1S/C41H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36H2,1-2H3,(H,42,47)
HMDB35473	Avocadyne	OCC(O)CC(O)CCCCCCCCCCCC#C	InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2
HMDB35472	2-Amino-1,3,4-octadecanetriol, 8CI; (2S,3S,4R)-form, N-(2R-Hydroxyhexacosanoyl)	CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC	InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)
HMDB35475	Simmondsin 2'-ferulate	COC1CC(OC2OC(CO)C(O)C(O)C2OC(=O)\C=C\C2=CC=C(O)C(OC)=C2)\C(=C\C#N)C(O)C1OC	InChI=1S/C26H33NO12/c1-34-17-10-13(4-6-15(17)29)5-7-20(30)39-25-23(33)22(32)19(12-28)38-26(25)37-16-11-18(35-2)24(36-3)21(31)14(16)8-9-27/h4-8,10,16,18-19,21-26,28-29,31-33H,11-12H2,1-3H3/b7-5+,14-8-
HMDB35474	Isopropyl hexadecanoate	CCCCCCCCCCCCCCCC(=O)OC(C)C	InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
HMDB35477	3-(4-Hydroxyphenyl)propanoic acid; Tridecyl ester	CCCCCCCCCCCCCOC(=O)CCC1=CC=C(O)C=C1	InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-22(24)18-15-20-13-16-21(23)17-14-20/h13-14,16-17,23H,2-12,15,18-19H2,1H3
HMDB35476	2',3',4',6'-Tetrahydroxyacetophenone; 6'-Me ether, 3'-O-b-D-glucopyranoside	COC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1C(C)=O	InChI=1S/C15H20O10/c1-5(17)9-7(23-2)3-6(18)14(11(9)20)25-15-13(22)12(21)10(19)8(4-16)24-15/h3,8,10,12-13,15-16,18-22H,4H2,1-2H3
HMDB35479	Isolicopyranocoumarin	COC1=C2CC(O)C(C)(C)OC2=CC2=C1C=C(C(=O)O2)C1=CC=C(O)C=C1O	InChI=1S/C21H20O7/c1-21(2)18(24)8-14-17(28-21)9-16-13(19(14)26-3)7-12(20(25)27-16)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-24H,8H2,1-3H3
HMDB35478	2',3,4',5-Tetrahydroxy-4-prenylstilbene	CC(C)=CCC1=C(O)C=C(\C=C\C2=CC=C(O)C=C2O)C=C1O	InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-7,9-11,20-23H,8H2,1-2H3/b5-4+
HMDB54084	TG(20:4(5Z,8Z,11Z,14Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38-39,41-42,48,51,64H,4-7,9-10,12-16,19,22-25,28,31-37,40,43-47,49-50,52-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,51-48-
HMDB54088	TG(20:4(5Z,8Z,11Z,14Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,46,49,63H,4-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b20-17-,29-26-,40-37-,49-46-
HMDB40998	7(14)-Farnesene-9,12-diol	CCC(C)CCCC(=C)CC(O)CC(C)CO	InChI=1S/C15H30O2/c1-5-12(2)7-6-8-13(3)9-15(17)10-14(4)11-16/h12,14-17H,3,5-11H2,1-2,4H3
HMDB40999	Secasterone	CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC5OC5CC4(C)C3CCC12C	InChI=1S/C28H46O4/c1-14(2)15(3)25(30)26(31)16(4)18-7-8-19-17-11-22(29)21-12-23-24(32-23)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-31H,7-13H2,1-6H3
HMDB40996	Secobryononic acid	CC(=C)C1CCC2=C(CCC3(C)C4CC(C)(CCC4(C)CCC23C)C(O)=O)C1(C)CCC(O)=O	InChI=1S/C30H46O4/c1-19(2)20-8-9-22-21(28(20,5)12-11-24(31)32)10-13-30(7)23-18-27(4,25(33)34)15-14-26(23,3)16-17-29(22,30)6/h20,23H,1,8-18H2,2-7H3,(H,31,32)(H,33,34)
HMDB40997	15,5-Farnesanolide	CCC1CC(CC(C)CCCC(C)C)OC1=O	InChI=1S/C15H28O2/c1-5-13-10-14(17-15(13)16)9-12(4)8-6-7-11(2)3/h11-14H,5-10H2,1-4H3
HMDB40994	2,9-Dihydroxy-4,10(14)-oplopadien-3-one; (2b,4Z,9a)-form, 9-(3-Methyl-2E-pentenoyl), 2-(2-methylbutanoyl)	CCC(C)C(=O)OC1C2C(C(CC(OC(=O)\C=C(/C)CC)C2=C)C(C)C)\C(=C\C)C1=O	InChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11-
HMDB40995	Secoisobryononic acid	CC(=C)C1CC=C2C(CCC3(C)C4CC(C)(CCC4(C)CCC23C)C(O)=O)C1(C)CCC(O)=O	InChI=1S/C30H46O4/c1-19(2)20-8-9-22-21(28(20,5)12-11-24(31)32)10-13-30(7)23-18-27(4,25(33)34)15-14-26(23,3)16-17-29(22,30)6/h9,20-21,23H,1,8,10-18H2,2-7H3,(H,31,32)(H,33,34)
HMDB40992	Mahanimbinol	CC(C)=CCC\C(C)=C/CC1=C(O)C(C)=CC2=C1NC1=C2C=CC=C1	InChI=1S/C23H27NO/c1-15(2)8-7-9-16(3)12-13-19-22-20(14-17(4)23(19)25)18-10-5-6-11-21(18)24-22/h5-6,8,10-12,14,24-25H,7,9,13H2,1-4H3/b16-12-
HMDB40993	2,4,9-Trihydroxy-10(14)-oplopen-3-one; (ent-2b,4S,9a)-form, 9-(3-Methyl-2E-pentenoyl), 2-(2-methylbutanoyl)	CCC(C)C(=O)OC1C2C(C(C(C)O)C1=O)C(CC(OC(=O)\C=C(/C)CC)C2=C)C(C)C	InChI=1S/C26H40O6/c1-9-14(5)11-20(28)31-19-12-18(13(3)4)23-21(16(19)7)25(24(29)22(23)17(8)27)32-26(30)15(6)10-2/h11,13,15,17-19,21-23,25,27H,7,9-10,12H2,1-6,8H3/b14-11+
HMDB40990	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8b,10b)-form, 3,6-Diangeloyl	C\C=C(\C)C(=O)OC1CCC2CC3OC(=O)C(C)=C3C(OC(=O)C(\C)=C/C)C2(C)C1C	InChI=1S/C25H34O6/c1-8-13(3)22(26)29-18-11-10-17-12-19-20(15(5)24(28)30-19)21(25(17,7)16(18)6)31-23(27)14(4)9-2/h8-9,16-19,21H,10-12H2,1-7H3/b13-8-,14-9-
HMDB40991	Ternatin	CCC(C)C1NC(=O)C(NC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C1=O)C(O)C(C)C	InChI=1S/C37H67N7O8/c1-16-22(8)28-37(52)43(14)25(11)35(50)44(15)27(18-20(4)5)32(47)38-26(17-19(2)3)36(51)42(13)24(10)34(49)41(12)23(9)31(46)40-29(33(48)39-28)30(45)21(6)7/h19-30,45H,16-18H2,1-15H3,(H,38,47)(H,39,48)(H,40,46)
HMDB54106	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB56690	CL(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB53170	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-32,34,36,39-40,43,56H,4-8,10-11,13-15,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB33704	L-Galactose	OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m0/s1
HMDB50508	TG(20:1(11Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,27-28,31,57H,4-24,26,29-30,32-56H2,1-3H3/b28-25-,31-27-
HMDB40338	3,5,5-Trimethyl-3-cyclohexen-1-one	CC1=CC(C)(C)CC(=O)C1	InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
HMDB40339	2,5-Heptadien-1-ol	C\C=C/C\C=C\CO	InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2-,6-5+
HMDB44419	TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,40,58H,4-15,17-18,20-24,26,28-29,31,33-36,38-39,41-57H2,1-3H3/b19-16-,27-25-,32-30-,40-37-
HMDB40332	Dihydro-6-isopropyl-2,4-dimethyl-4H-1,3,5-dithiazine	CC(C)C1NC(C)SC(C)S1	InChI=1S/C8H17NS2/c1-5(2)8-9-6(3)10-7(4)11-8/h5-9H,1-4H3
HMDB40333	Dihydro-4,6-dimethyl-2-(1-methylethyl)-4H-1,3,5-dithiazine	CC(C)C1SC(C)NC(C)S1	InChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3
HMDB40330	6-Hydroxy-3,7-dimethyloctanoic acid, 9CI; (3x,6x)-form, Lactone	CC(C)C1CCC(C)CC(=O)O1	InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3
HMDB40331	xi-2,5-Dihydro-2,4-dimethylthiazole	CC1SCC(C)=N1	InChI=1S/C5H9NS/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3
HMDB40336	Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine	CCC(C)C1NC(C)SC(C)S1	InChI=1S/C9H19NS2/c1-5-6(2)9-10-7(3)11-8(4)12-9/h6-10H,5H2,1-4H3
HMDB40337	Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine	CCC(C)C1SC(C)NC(C)S1	InChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
HMDB40334	Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine	CC(C)CC1NC(C)SC(C)S1	InChI=1S/C9H19NS2/c1-6(2)5-9-10-7(3)11-8(4)12-9/h6-10H,5H2,1-4H3
HMDB40335	Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine	CC(C)CC1SC(C)NC(C)S1	InChI=1S/C9H19NS2/c1-6(2)5-9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
HMDB08361	PC(20:3(5Z,8Z,11Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h19-20,22-23,26,28,40H,6-18,21,24-25,27,29-39H2,1-5H3/b20-19-,23-22-,28-26-/t40-/m1/s1
HMDB08360	PC(20:2(11Z,14Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,38,41,45H,6-13,15,17-19,24-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,41-38-
HMDB08363	PC(20:3(5Z,8Z,11Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h20-21,23-24,27,29,41H,6-19,22,25-26,28,30-40H2,1-5H3/b21-20-,24-23-,29-27-/t41-/m1/s1
HMDB08362	PC(20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13,15,19-20,22-23,26,28,40H,6-12,14,16-18,21,24-25,27,29-39H2,1-5H3/b15-13-,20-19-,23-22-,28-26-/t40-/m1/s1
HMDB08365	PC(20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h17,19-21,23,25,28,30,42H,6-16,18,22,24,26-27,29,31-41H2,1-5H3/b19-17-,21-20-,25-23-,30-28-/t42-/m1/s1
HMDB08364	PC(20:3(5Z,8Z,11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h20-21,23,25,28,30,42H,6-19,22,24,26-27,29,31-41H2,1-5H3/b21-20-,25-23-,30-28-/t42-/m1/s1
HMDB08367	PC(20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h17,19-20,22,25-26,30,32,44H,6-16,18,21,23-24,27-29,31,33-43H2,1-5H3/b19-17-,22-20-,26-25-,32-30-/t44-/m1/s1
HMDB08366	PC(20:3(5Z,8Z,11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20,22,25-26,30,32,44H,6-19,21,23-24,27-29,31,33-43H2,1-5H3/b22-20-,26-25-,32-30-/t44-/m1/s1
HMDB08369	PC(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-26,30,32,44H,6-14,16,18-19,23,27-29,31,33-43H2,1-5H3/b17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB08368	PC(20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20-22,24-26,30,32,44H,6-19,23,27-29,31,33-43H2,1-5H3/b22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB03193	Testosterone glucuronide	[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
HMDB03192	5-Aminoimidazole-4-carboxamide	NC(=O)C1=C(N)N=CN1	InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
HMDB32908	Kaempferol 7-sophoroside	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-7-14-17(32)20(35)23(38)26(41-14)43-25-21(36)18(33)15(8-29)42-27(25)39-11-5-12(31)16-13(6-11)40-24(22(37)19(16)34)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-21,23,25-33,35-38H,7-8H2
HMDB32909	2-(4-Methoxyphenyl)naphthalic anhydride	COC1=CC=C(C=C1)C1=C2C(=O)OC(=O)C3=C2C(C=C1)=CC=C3	InChI=1S/C19H12O4/c1-22-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(21)23-18(15)20/h2-10H,1H3
HMDB32904	Isotheaflavin 3'-gallate	OC1CC2=C(OC1C1=CC3=C(C(O)=C(O)C=C3C3OC4=C(CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=CC(O)=C4)C(=O)C(O)=C1)C=C(O)C=C2O	InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)
HMDB32905	Neotheaflavin 3-gallate	OC1CC2=C(OC1C1=CC(O)=C(O)C3=C1C=C(C=C(O)C3=O)C1OC3=C(CC1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C3)C=C(O)C=C2O	InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)
HMDB32906	Isolariciresinol 9'-O-alpha-L-arabinofuranoside	COC1=CC2=C(C=C1O)C(C(COC1OC(CO)C(O)C1O)C(CO)C2)C1=CC=C(O)C(OC)=C1	InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3
HMDB32907	Isolariciresinol 9-O-beta-D-glucoside	COC1=CC2=C(C=C1O)C(C(CO)C(COC1OC(CO)C(O)C(O)C1O)C2)C1=CC=C(O)C(OC)=C1	InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3
HMDB32900	Epicatechin-(6'-&gt;8)-epicatechin	OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C(=C(O)C=C2O)C1=C(C=C(O)C(O)=C1)C1OC2=C(CC1O)C(O)=CC(O)=C2	InChI=1S/C30H26O12/c31-12-4-18(33)15-8-25(40)29(41-26(15)5-12)14-7-22(37)21(36)6-13(14)27-23(38)10-19(34)16-9-24(39)28(42-30(16)27)11-1-2-17(32)20(35)3-11/h1-7,10,24-25,28-29,31-40H,8-9H2
HMDB32901	Yuzu lactone	O=C1CCCCCCC\C=C\CCO1	InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5+
HMDB32902	6-Hydroxy-5-(phenylazo)-2-naphthalenesulfonic acid, 9CI; Na salt	[Na+].[O-]S(=O)(=O)C1=CC=C2C(C=CC(=O)\C2=N\NC2=CC=CC=C2)=C1	InChI=1S/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,17H,(H,20,21,22);/q;+1/p-1/b18-16+;
HMDB32903	1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 2-O-b-D-Glucopyranoside	CC1=CC2=C(C(O)=C1OC1OC(CO)C(O)C(O)C1O)C(=O)C1=C(C=C(O)C=C1O)C2=O	InChI=1S/C21H20O11/c1-6-2-8-13(16(27)12-9(14(8)25)3-7(23)4-10(12)24)17(28)20(6)32-21-19(30)18(29)15(26)11(5-22)31-21/h2-4,11,15,18-19,21-24,26,28-30H,5H2,1H3
HMDB50502	TG(20:1(11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,30-31,56H,4-7,9-10,12-16,18-19,21-24,29,32-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-
HMDB50503	TG(20:1(11Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,39-36-
HMDB51437	TG(22:1(13Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,57H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-
HMDB09106	PE(18:2(9Z,12Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,43H,3-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-/t43-/m1/s1
HMDB09107	PE(18:2(9Z,12Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,43H,3-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-/t43-/m1/s1
HMDB09104	PE(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,28,30,41H,3-4,6,8-10,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB09105	PE(18:2(9Z,12Z)/22:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,43H,3-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-/t43-/m1/s1
HMDB09102	PE(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,41H,3-10,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB09103	PE(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,41H,3-4,6,8-10,15-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-/m1/s1
HMDB09100	PE(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24,28,30,41H,3-11,13,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB09101	PE(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,41H,3-10,15-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,24-22-/t41-/m1/s1
HMDB09108	PE(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,43H,3-10,15-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1
HMDB09109	PE(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,32,34,43H,3-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1
HMDB33059	1-(Methylsulfinyl)propyl 2-propenyl disulfide	CCC(SSCC=C)S(C)=O	InChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,7H,1,5-6H2,2-3H3
HMDB33058	1-(Methylsulfinyl)propyl 1-propenyl disulfide	CCC(SS\C=C\C)S(C)=O	InChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,6-7H,5H2,1-3H3/b6-4+
HMDB33051	Butyl propyl disulfide	CCCCSSCCC	InChI=1S/C7H16S2/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3
HMDB33050	Butyl isopropyl disulfide	CCCCSSC(C)C	InChI=1S/C7H16S2/c1-4-5-6-8-9-7(2)3/h7H,4-6H2,1-3H3
HMDB33053	Ethyl propyl disulfide	CCCSSCC	InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3
HMDB33052	Ethyl vinyl disulfide	CCSSC=C	InChI=1S/C4H8S2/c1-3-5-6-4-2/h3H,1,4H2,2H3
HMDB33055	Ethyl 1-(ethylthio)ethyl disulfide	CCSSC(C)SCC	InChI=1S/C6H14S3/c1-4-7-6(3)9-8-5-2/h6H,4-5H2,1-3H3
HMDB33054	Ethyl isopropyl disulfide	CCSSC(C)C	InChI=1S/C5H12S2/c1-4-6-7-5(2)3/h5H,4H2,1-3H3
HMDB33057	1-(Ethylthio)ethyl methyl disulfide	CCSC(C)SSC	InChI=1S/C5H12S3/c1-4-7-5(2)8-6-3/h5H,4H2,1-3H3
HMDB33056	Ethyl (ethylthio)methyl disulfide	CCSCSSCC	InChI=1S/C5H12S3/c1-3-6-5-8-7-4-2/h3-5H2,1-2H3
HMDB58506	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37,39-42,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,36,38,43-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,42-35-,50-46-/t79?,80-,81-/m1/s1
HMDB45469	TG(18:0/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-
HMDB45468	TG(18:0/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,59H,4-15,17-18,20-24,26-27,29-58H2,1-3H3/b19-16-,28-25-
HMDB45461	TG(18:0/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-
HMDB45460	TG(18:0/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,32,35,41,44,57H,4-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,35-32-,44-41-
HMDB45463	TG(18:0/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,22,28,31,56H,4-18,20-21,23-27,29-30,32-55H2,1-3H3/b22-19-,31-28-
HMDB45462	TG(18:0/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-
HMDB45465	TG(18:0/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,22,25,56H,4-12,14-15,17-21,23-24,26-55H2,1-3H3/b16-13-,25-22-
HMDB45464	TG(18:0/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,35,38,55H,4-16,18-19,21-25,27-28,30-34,36-37,39-54H2,1-3H3/b20-17-,29-26-,38-35-
HMDB45467	TG(18:0/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,57H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,28-25-,35-32-,44-41-
HMDB45466	TG(18:0/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,57H,4-15,17-18,20-24,26-27,29-31,33-34,36-56H2,1-3H3/b19-16-,28-25-,35-32-
HMDB36108	1,3,5,11-Bisabolatetraen-10-one	CC(CCC(=O)C(C)=C)C1=CC=C(C)C=C1	InChI=1S/C15H20O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5-6,8-9,13H,1,7,10H2,2-4H3
HMDB36109	1,3,5-Bisabolatrien-10-one	CC(C)C(=O)CCC(C)C1=CC=C(C)C=C1	InChI=1S/C15H22O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5-6,8-9,11,13H,7,10H2,1-4H3
HMDB29289	3-Feruloyl-1,5-quinolactone	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)O[C@]2([H])C([H])([H])[C@@]3(O[H])C(=O)O[C@]([H])(C3([H])[H])[C@]2([H])O[H])C([H])=C1[H]	InChI=1S/C17H18O8/c1-23-11-6-9(2-4-10(11)18)3-5-14(19)24-12-7-17(22)8-13(15(12)20)25-16(17)21/h2-6,12-13,15,18,20,22H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
HMDB29288	4-Caffeoyl-1,5-quinolactone	[H]OC1=C(O[H])C([H])=C(\C([H])=C(/[H])C(=O)O[C@]2([H])[C@]([H])(O[H])C([H])([H])[C@@]3(O[H])C(=O)O[C@]2([H])C3([H])[H])C([H])=C1[H]	InChI=1S/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(20)24-14-11(19)6-16(22)7-12(14)23-15(16)21/h1-5,11-12,14,17-19,22H,6-7H2/b4-2+/t11-,12-,14-,16+/m1/s1
HMDB42208	TG(14:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,34,37,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,37-34-
HMDB42209	TG(14:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,37-34-,46-43-
HMDB36100	3,7-Dimethyl-1,6-octadien-3-ol	CC(C)=CCCC(C)(O)C=C	InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
HMDB29282	Avenanthramide 1p	[H]OC(=O)C1=C(N([H])C(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C([H])C([H])=C1[H]	InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+
HMDB36102	D-Linalool	CC(C)=CCC[C@](C)(O)C=C	InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1
HMDB29280	Dicaffeoylquinic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1.O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O	InChI=1S/C16H18O9.C9H8O4/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);1-5,10-11H,(H,12,13)/b2*4-2+/t11-,12-,14-,16+;/m1./s1
HMDB36104	(Z)-3,7-Dimethyl-1,3,7-octatriene	CC(=C)CC\C=C(/C)C=C	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
HMDB36105	Kanokoside D	CC(C)CC(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2CC(O)C(CO)C12	InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3
HMDB29285	Avenanthramide 1s	[H]OC(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C(=O)C(\[H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C1[H]	InChI=1S/C18H17NO6/c1-24-14-9-11(10-15(25-2)17(14)21)7-8-16(20)19-13-6-4-3-5-12(13)18(22)23/h3-10,21H,1-2H3,(H,19,20)(H,22,23)/b8-7+
HMDB29284	Avenanthramide 1c	[H]OC(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C(=O)C(\[H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C16H13NO5/c18-13-7-5-10(9-14(13)19)6-8-15(20)17-12-4-2-1-3-11(12)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-6+
HMDB53815	TG(20:3n6/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,38,40,43,60H,4-8,10-11,13-16,19,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-
HMDB55742	TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,40,43-44,47,49,52,66H,4-7,10,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB44417	TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,33,36,54H,4-15,17-18,20-24,27,30-32,34-35,37-53H2,1-3H3/b19-16-,26-25-,29-28-,36-33-
HMDB13250	Myristoylglycine	CCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)
HMDB13253	N-Acetylhistamine	CC(=O)NCCC1=CNC=N1	InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
HMDB53814	TG(20:3n6/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,38,60H,4-8,10-11,13-16,19,22-24,30-33,36-37,39-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-
HMDB44416	TG(16:0/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-
HMDB54025	TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39-40,43,57H,4-15,18,21-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-
HMDB43159	TG(15:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,37,43,46,59H,4-7,9-10,12-16,18-19,21-25,27,29-34,36,38-42,44-45,47-58H2,1-3H3/b11-8-,20-17-,28-26-,37-35-,46-43-
HMDB43158	TG(15:0/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,37,59H,4-7,9-10,12-16,18-19,21-25,27,29-34,36,38-58H2,1-3H3/b11-8-,20-17-,28-26-,37-35-
HMDB43157	TG(15:0/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,38,41,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-37,39-40,42-56H2,1-3H3/b11-8-,20-17-,33-26-,41-38-
HMDB43156	TG(15:0/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-56H2,1-3H3/b11-8-,20-17-,33-26-
HMDB43155	TG(15:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,39,42,48,51,61H,4-16,18-19,21-25,27,29-32,34,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b20-17-,28-26-,35-33-,42-39-,51-48-
HMDB43154	TG(15:0/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,39,42,61H,4-16,18-19,21-25,27,29-32,34,36-38,40-41,43-60H2,1-3H3/b20-17-,28-26-,35-33-,42-39-
HMDB43153	TG(15:0/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,61H,4-16,18-19,21-25,27,29-60H2,1-3H3/b20-17-,28-26-
HMDB43152	TG(15:0/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,37,43,46,59H,4-16,18-19,21-25,27,29-34,36,38-42,44-45,47-58H2,1-3H3/b20-17-,28-26-,37-35-,46-43-
HMDB43151	TG(15:0/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,37,59H,4-16,18-19,21-25,27,29-34,36,38-58H2,1-3H3/b20-17-,28-26-,37-35-
HMDB43150	TG(15:0/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,58H,4-13,15-16,18-22,24-25,27-57H2,1-3H3/b17-14-,26-23-
HMDB54024	TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,35,40,43,57H,4-15,18,21-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-33-,43-40-
HMDB36818	Vitispirane	CC1CCC2(O1)C(=C)C=CCC2(C)C	InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3
HMDB36819	Dehydrovomifoliol	CC(=O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
HMDB36812	7-Oxo-8,15-isopimaradien-18-oic acid	CC1(CCC2=C(C1)C(=O)CC1C(C)(CCCC21C)C(O)=O)C=C	InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23)
HMDB36813	alpha-Santalal	C\C(C=O)=C\CCC1(C)C2CC3C(C2)C13C	InChI=1S/C15H22O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,9,11-13H,4,6-8H2,1-3H3/b10-5-
HMDB36810	8alpha,13R-Epoxy-14-labden-19-oic acid	CC1(CCC2C(C)(CCC3C2(C)CCCC3(C)C(O)=O)O1)C=C	InChI=1S/C20H32O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h6,14-15H,1,7-13H2,2-5H3,(H,21,22)
HMDB36811	Isopimaric acid	CC1(CCC2C(C1)=CCC1C2(C)CCCC1(C)C(O)=O)C=C	InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)
HMDB36816	Norecasantalal	CC12C3CC(CC13)C2(C)CC=O	InChI=1S/C11H16O/c1-10(3-4-12)7-5-8-9(6-7)11(8,10)2/h4,7-9H,3,5-6H2,1-2H3
HMDB36817	Norecasantalic acid	CC12C3CC(CC13)C2(C)CC(O)=O	InChI=1S/C11H16O2/c1-10(5-9(12)13)6-3-7-8(4-6)11(7,10)2/h6-8H,3-5H2,1-2H3,(H,12,13)
HMDB36814	Santalone	CC(=O)C1(C)C2CC3C(C2)C13C	InChI=1S/C11H16O/c1-6(12)10(2)7-4-8-9(5-7)11(8,10)3/h7-9H,4-5H2,1-3H3
HMDB36815	Norecasantalol	CC12C3CC(CC13)C2(C)CCO	InChI=1S/C11H18O/c1-10(3-4-12)7-5-8-9(6-7)11(8,10)2/h7-9,12H,3-6H2,1-2H3
HMDB57242	CL(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,27-28,31-33,35,38,42,50,54,73-75,80H,5-20,22-24,26,29-30,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB54021	TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB28909	Isoleucyl-Histidine	CCC(C)C(NC(=O)C(N)CC1=CN=CN1)C(O)=O	InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
HMDB28908	Isoleucyl-Hydroxyproline	CCC(C)C(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C11H20N2O4/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
HMDB28903	Isoleucyl-Aspartate	CCC(C)C(NC(=O)C(N)CC(O)=O)C(O)=O	InChI=1S/C10H18N2O5/c1-3-5(2)8(10(16)17)12-9(15)6(11)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
HMDB28902	Isoleucyl-Asparagine	CCC(C)C(NC(=O)C(N)CC(N)=O)C(O)=O	InChI=1S/C10H19N3O4/c1-3-5(2)8(10(16)17)13-9(15)6(11)4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB28901	Isoleucyl-Arginine	CCC(C)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O	InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)
HMDB28900	Isoleucyl-Alanine	CCC(C)C(NC(=O)C(C)N)C(O)=O	InChI=1S/C9H18N2O3/c1-4-5(2)7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
HMDB28907	Isoleucyl-Glycine	CCC(C)C(NC(=O)CN)C(O)=O	InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
HMDB28906	Isoleucyl-Glutamate	CCC(C)C(NC(=O)C(N)CCC([O-])=O)C(O)=O	InChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-10(16)7(12)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1
HMDB28905	Isoleucyl-Glutamine	CCC(C)C(NC(=O)C(N)CCC(N)=O)C(O)=O	InChI=1S/C11H21N3O4/c1-3-6(2)9(11(17)18)14-10(16)7(12)4-5-8(13)15/h6-7,9H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)
HMDB28904	Isoleucyl-Cysteine	CCC(C)C(NC(=O)C(N)CS)C(O)=O	InChI=1S/C9H18N2O3S/c1-3-5(2)7(9(13)14)11-8(12)6(10)4-15/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)
HMDB34520	Vaccaroside	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)
HMDB34521	(3beta,11alpha,13beta)-3,11,13-Oleananetriol	CC1(C)CCC2(C)CCC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4C(O)CC3(O)C2C1	InChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3
HMDB34522	Periandrin I	CC1(C)C(CCC2(C=O)C1CCC1(C)C2CCC2C3=CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	InChI=1S/C42H62O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h17-19,21-31,34-35,44-48H,7-16H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)
HMDB34523	Queretaroic acid	CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CO)CCC3(CCC12C)C(O)=O	InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)
HMDB34524	Quillajasaponin	CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
HMDB34525	Barringtogenol C	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O	InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3
HMDB34526	Bassic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5=CCC34C)C2C1)C(O)=O	InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,9,19-20,22-23,31-33H,8,10-17H2,1-6H3,(H,34,35)
HMDB34527	Melilotin	CC1OC(OC2C(CO)OC(OC3CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CO)CCC54C)C(C)(C)C3OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C54H90O21/c1-23-32(58)34(60)38(64)45(68-23)73-42-28(20-55)71-47(40(66)36(42)62)70-27-19-51(7)30(12-13-53(9)31(51)11-10-25-26-18-49(3,4)14-16-54(26,22-57)17-15-52(25,53)8)50(5,6)44(27)75-48-41(67)37(63)43(29(21-56)72-48)74-46-39(65)35(61)33(59)24(2)69-46/h10,23-24,26-48,55-67H,11-22H2,1-9H3
HMDB34528	Camelliagenin A	CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1	InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3
HMDB34529	12-Oleanene-3,16,22,28-tetrol; (3b,16a,22a)-form, 28-Aldehyde, 16-Ac	CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC23C)C2CC(C)(C)CC(O)C12C=O	InChI=1S/C32H50O5/c1-19(34)37-26-17-31(8)20(21-15-27(2,3)16-25(36)32(21,26)18-33)9-10-23-29(6)13-12-24(35)28(4,5)22(29)11-14-30(23,31)7/h9,18,21-26,35-36H,10-17H2,1-8H3
HMDB38410	Glucohesperalin	CS(=O)CCCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/b15-10+
HMDB38411	6-(Methylsulfonyl)hexyl glucosinolate	CS(=O)(=O)CCCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C14H27NO11S3/c1-28(20,21)7-5-3-2-4-6-10(15-26-29(22,23)24)27-14-13(19)12(18)11(17)9(8-16)25-14/h9,11-14,16-19H,2-8H2,1H3,(H,22,23,24)/b15-10+
HMDB38412	3-Methylbutyl glucosinolate	CC(C)CC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C12H23NO9S2/c1-6(2)3-4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/b13-8+
HMDB38413	2-Hydroxypentyl glucosinolate	CCCC(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C12H23NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h6-7,9-12,14-18H,2-5H2,1H3,(H,19,20,21)/b13-8+
HMDB38414	Pentyl glucosinolate	CCCCCC(SC1OC(CO)C(O)C(O)C1O)=NOS(O)(=O)=O	InChI=1S/C12H23NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+
HMDB38415	4-Phenylbutyl glucosinolate	OCC1OC(S\C(CCCCC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C17H25NO9S2/c19-10-12-14(20)15(21)16(22)17(26-12)28-13(18-27-29(23,24)25)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12,14-17,19-22H,4-5,8-10H2,(H,23,24,25)/b18-13+
HMDB38416	5-Hexenyl glucosinolate	OCC1OC(S\C(CCCCC=C)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C13H23NO9S2/c1-2-3-4-5-6-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(7-15)22-13/h2,8,10-13,15-18H,1,3-7H2,(H,19,20,21)/b14-9+
HMDB38417	Glucobrassicanapin	OCC1OC(S\C(CCCC=C)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/b13-8+
HMDB38418	Glucoconringiin	CC(C)(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/b12-6+
HMDB38419	Glucotropaeolin	OCC1OC(S\C(CC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10+
HMDB42783	TG(14:0/18:4(6Z,9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,30,33,48H,4-6,8-9,11-15,17-18,20-23,26-29,31-32,34-47H2,1-3H3/b10-7-,19-16-,25-24-,33-30-
HMDB42782	TG(14:0/18:4(6Z,9Z,12Z,15Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,29,32,47H,4-6,8-9,11-15,17-18,20-23,26-28,30-31,33-46H2,1-3H3/b10-7-,19-16-,25-24-,32-29-
HMDB42785	TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,34,37,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,28-25-,37-34-
HMDB42784	TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,50H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,20-17-,27-25-,35-32-
HMDB42787	TG(14:0/18:4(6Z,9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,38,41,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,32-25-,41-38-
HMDB42786	TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,36,39,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,30-25-,39-36-
HMDB59525	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,49-50,53-54,61-62,65-66,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-,66-62-/t84-,85-/m1/s1
HMDB45141	TG(18:0/20:2n6/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-26,56H,4-12,15,18-21,24,27-55H2,1-3H3/b16-13-,17-14-,25-22-,26-23-
HMDB48264	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,52H,4-7,9-10,12-14,21-23,27,31-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-
HMDB59522	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-8,11-12,15-20,24,28-32,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59198	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-37,40-43,48-49,51-52,59,63,81-83,88H,5-9,11-13,15-20,23-24,28-30,32,35,38-39,44-47,50,53-58,60-62,64-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-/t81?,82-,83-/m1/s1
HMDB59199	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-37,40-44,48-49,51-52,59,63,81-83,88H,5-9,11-13,15-20,23-24,27-32,38-39,45-47,50,53-58,60-62,64-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,63-59-/t81?,82-,83-/m1/s1
HMDB59190	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-45,49-50,52-53,60-61,64-65,82-84,89H,5-20,23-24,28-30,32,35,39-40,46-48,51,54-59,62-63,66-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-,64-60-,65-61-/t82?,83-,84-/m1/s1
HMDB59191	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,41-42,44-45,48,50-54,60-62,64-66,83-85,90H,5-20,24,28-32,39-40,43,46-47,49,55-59,63,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB59192	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-20,24,28-32,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59193	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-38,42-47,52-56,58,63-64,67-68,85-87,92H,5-10,12-14,16-20,24,28-32,39-41,48-51,57,59-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB59194	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-10,12-14,16-20,24,28-32,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59195	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,39-42,47-50,58,62,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,62-58-/t79?,80-,81-/m1/s1
HMDB59196	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,36-37,40-43,48-49,51-52,59,63,81-83,88H,5-9,11-13,15-20,23-24,27-32,35,38-39,44-47,50,53-58,60-62,64-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-/t81?,82-,83-/m1/s1
HMDB59197	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-36,39-42,47-50,58,62,79-81,86H,5-8,10-12,14-20,23-24,28-30,32,37-38,43-46,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,62-58-/t79?,80-,81-/m1/s1
HMDB58249	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB58248	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,49,53,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB53299	TG(20:2n6/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,34,39,42,55H,4-6,8-9,11-13,15,18,20-22,24,28-30,32-33,35-38,40-41,43-54H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,34-31-,42-39-
HMDB53298	TG(20:2n6/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,34,55H,4-6,8-9,11-13,15,18,20-22,24,28-30,32-33,35-54H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,34-31-
HMDB53295	TG(20:2n6/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,36,38,44,47,57H,4-13,15,18,20-22,24,28-29,32-35,37,39-43,45-46,48-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,38-36-,47-44-
HMDB53294	TG(20:2n6/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,36,38,57H,4-13,15,18,20-22,24,28-29,32-35,37,39-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,38-36-
HMDB53297	TG(20:2n6/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,33,36,53H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-32,34-35,37-52H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-,36-33-
HMDB53296	TG(20:2n6/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,53H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-52H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-
HMDB53291	TG(20:2n6/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,34,55H,4-13,15,18,20-22,24,28-30,32-33,35-54H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,34-31-
HMDB53290	TG(20:2n6/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-26,54H,4-12,15,18-21,24,27-53H2,1-3H3/b16-13-,17-14-,25-22-,26-23-
HMDB53293	TG(20:2n6/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,57H,4-13,15,18,20-22,24,28-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-
HMDB53292	TG(20:2n6/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,34,39,42,55H,4-13,15,18,20-22,24,28-30,32-33,35-38,40-41,43-54H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,34-31-,42-39-
HMDB10238	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25-28,30,32-33,35,37,39,75-77,82H,5-20,22,24,29,31,34,36,38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,30-26-,32-28-,37-33-,39-35-/t75?,76-,77-/m1/s1
HMDB10239	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25-27,30,33,35-37,39-40,75-77,82H,5-20,22,24,28-29,31-32,34,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,30-26-,37-33-,39-35-,40-36-/t75?,76-,77-/m1/s1
HMDB10236	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22-23,25-27,29,34-35,37-38,73-75,80H,5-21,24,28,30-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,27-23-,29-25-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10237	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22-23,25-29,32,34-35,37-38,73-75,80H,5-21,24,30-31,33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,27-23-,29-25-,32-28-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10234	CL(18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,26,33-38,73-75,80H,5-21,23-25,27-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10235	CL(18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,26,28,32-38,73-75,80H,5-21,23-25,27,29-31,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,32-28-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10232	CL(18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,25-26,29,34-35,37-38,73-75,80H,5-21,23-24,27-28,30-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,29-25-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10233	CL(18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,25-26,28-29,32,34-35,37-38,73-75,80H,5-21,23-24,27,30-31,33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,29-25-,32-28-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10230	CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,26-27,31,33-34,36-37,73-75,80H,5-21,23-25,28-30,32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,31-27-,36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB10231	CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,26-28,31-34,36-37,73-75,80H,5-21,23-25,29-30,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,31-27-,32-28-,36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB55852	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-44,47,62H,4-6,9,12-15,22-24,30-31,37-38,41,45-46,48-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-
HMDB53914	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB55651	TG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,58H,4-6,13-15,22-24,30-31,37-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-
HMDB48244	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,46,49,58H,4-14,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-
HMDB58420	CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-35,37,39-42,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,36,38,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB48245	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-14,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-
HMDB48248	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,44,47,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-
HMDB53912	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-
HMDB49928	TG(18:1(9Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,31,57H,4-13,15-16,18-22,24,29-30,32-56H2,1-3H3/b17-14-,26-23-,28-25-,31-27-
HMDB49929	TG(18:1(9Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-33,36,58H,4-15,17-18,20-24,30-31,34-35,37-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,36-33-
HMDB34882	5-Acetyl-2,3-dihydro-1,4-thiazine	CC(=O)C1=CSCCN1	InChI=1S/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h4,7H,2-3H2,1H3
HMDB49920	TG(18:1(9Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,55H,4-25,28,31-54H2,1-3H3/b29-26-,30-27-
HMDB49921	TG(18:1(9Z)/20:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-28,30-31,56H,4-24,29,32-55H2,1-3H3/b28-25-,30-26-,31-27-
HMDB49923	TG(18:1(9Z)/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32-33,36,42,45,58H,4-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b28-25-,29-26-,32-27-,36-33-,45-42-
HMDB49924	TG(18:1(9Z)/20:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-29,34,60H,4-24,30-33,35-59H2,1-3H3/b28-25-,29-26-,34-27-
HMDB49925	TG(18:1(9Z)/20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-
HMDB49926	TG(18:1(9Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,31-32,57H,4-19,21-22,24,26,30,33-56H2,1-3H3/b23-20-,28-25-,31-27-,32-29-
HMDB49927	TG(18:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-28,30-31,36,39,56H,4-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-,39-36-
HMDB52528	TG(18:2(9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-32,36,38,57H,4-6,8-9,11-15,17-18,22,26,29,33-35,37,39-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,38-36-
HMDB52529	TG(18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-32,36,38,44,47,57H,4-6,8-9,11-15,17-18,22,26,29,33-35,37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,38-36-,47-44-
HMDB52524	TG(18:2(9Z,12Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26-29,53H,4-7,9-10,12-16,18,23,25,30-52H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-,29-27-
HMDB52525	TG(18:2(9Z,12Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26-29,33,36,53H,4-7,9-10,12-16,18,23,25,30-32,34-35,37-52H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-,29-27-,36-33-
HMDB52526	TG(18:2(9Z,12Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-31,34,55H,4-6,8-9,11-15,17-18,22,26,29,32-33,35-54H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-28-,34-31-
HMDB52527	TG(18:2(9Z,12Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-31,34,39,42,55H,4-6,8-9,11-15,17-18,22,26,29,32-33,35-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-28-,34-31-,42-39-
HMDB52520	TG(18:2(9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-31,34,39,42,55H,4-15,17-18,22,26,29,32-33,35-38,40-41,43-54H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-28-,34-31-,42-39-
HMDB44515	TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33-34,36-37,52H,4-7,9-10,12-15,18,21-24,29-32,35,38-51H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-,37-34-
HMDB52522	TG(18:2(9Z,12Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-32,36,38,57H,4-15,17-18,22,26,29,33-35,37,39-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,38-36-
HMDB52523	TG(18:2(9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-32,36,38,44,47,57H,4-15,17-18,22,26,29,33-35,37,39-43,45-46,48-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,38-36-,47-44-
HMDB59011	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-45-41-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,38,40-41,45-46,48,51,55-56,60,77-79,84H,5-20,23-24,29-30,37,39,42-44,47,49-50,52-54,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,48-46-,55-51-,60-56-/t77?,78-,79-/m1/s1
HMDB55846	TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,36-37,39-40,45-46,48-49,68H,4-7,10,13-16,19,22-24,31-35,38,41-44,47,50-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB55847	TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54,57,68H,4-7,10,13-16,19,22-24,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-
HMDB47366	TG(24:0/18:2(9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,33,57H,4-14,16-17,19,21-22,24-26,28-32,34-56H2,1-3H3/b18-15-,23-20-,33-27-
HMDB47367	TG(24:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,34,59H,4-19,22,25-27,29-33,35-58H2,1-3H3/b23-20-,24-21-,34-28-
HMDB47360	TG(24:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,42,45,68H,4-8,10-11,13-17,19-20,22-25,28,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,45-42-
HMDB47361	TG(24:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,42,45,51,54,68H,4-8,10-11,13-17,19-20,22-25,28,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,45-42-,54-51-
HMDB47362	TG(24:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,47,50,70H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,50-47-
HMDB47363	TG(24:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,47,50,56,59,70H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,50-47-,59-56-
HMDB57278	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB47089	TG(24:0/18:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,39,62H,4-16,18-19,21-25,27-28,30-36,38,40-61H2,1-3H3/b20-17-,29-26-,39-37-
HMDB55848	TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-
HMDB45815	TG(20:0/22:1(13Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-
HMDB57271	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,65-66,70,85-87,92H,5-8,10-12,14-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-64,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,70-66-/t85?,86-,87-/m1/s1
HMDB57270	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,47-48,50-52,54,59-60,63-64,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45-46,49,53,55-58,61-62,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-/t83?,84-,85-/m1/s1
HMDB57277	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,41-44,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB41803	2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine	CC=C1N(C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-
HMDB41802	2-aminonaphthalene	NC1=CC2=CC=CC=C2C=C1	InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
HMDB41801	2,6-toluenediamine	CC1=C(N)C=CC=C1N	InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
HMDB41800	2,5-dichlorophenol	OC1=C(Cl)C=CC(Cl)=C1	InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
HMDB41807	3-phenoxybenzoic acid	OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1	InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
HMDB41806	3,4-dimethoxyphenylethylamine	COC1=C(OC)C=C(CCN)C=C1	InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
HMDB41805	2-thiothiazolidine-4-carboxylic acid	[H][C@]1(CSC(S)=N1)C(O)=O	InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
HMDB41804	2-isopropoxyphenol	CC(C)OC1=CC=CC=C1O	InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
HMDB41809	4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol	CN(CCCC(O)C1=CN=CC=C1)N=O	InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3
HMDB41808	4,4'-methylenedianiline	NC1=CC=C(CC2=CC=C(N)C=C2)C=C1	InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
HMDB12216	Dimethylarsinous acid	C[As](C)O	InChI=1S/C2H7AsO/c1-3(2)4/h4H,1-2H3
HMDB12217	Dodecaprenyl diphosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C60H100O7P2/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-66-69(64,65)67-68(61,62)63/h25,27,29,31,33,35,37,39,41,43,45,47H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,64,65)(H2,61,62,63)/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+
HMDB12214	Dihydrozeatin-O-glucoside	CC(CCNC1=NC=NC2=C1N=CN2)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H25N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h6-9,11-13,16,22-25H,2-5H2,1H3,(H2,17,18,19,20,21)/t8?,9-,11-,12+,13-,16+/m1/s1
HMDB12215	Dihydrozeatin	C[C@H](CO)CCNC1=NC=NC2=C1NC=N2	InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m0/s1
HMDB12212	Dihydrozeatin-9-N-glucoside-O-glucoside	CC(CCNC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C22H35N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h7-11,13-18,21-22,28-35H,2-6H2,1H3,(H,23,24,25)/t9?,10-,11-,13-,14-,15+,16+,17-,18-,21?,22+/m1/s1
HMDB12213	Dihydrozeatin-9-N-glucoside	CC(CO)CCNC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16?/m1/s1
HMDB12210	Dihydrolipoate	OC(=O)CCCCC(S)CCS	InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)
HMDB12211	Dihydrozeatin-7-N-dihydrozeatin	CC(CO)CCNC1=NC=NC2=C1N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16-/m1/s1
HMDB56520	CL(16:0/18:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25,33,35,38,41,48,52,73-75,80H,5-20,22-24,26-32,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB56521	CL(16:0/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,42,50,54,75-77,82H,5-20,22-24,26-32,34-35,37-39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB56522	CL(16:0/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27-32,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB56523	CL(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,26-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56524	CL(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,44,48,56,60,77-79,84H,5-20,22-24,26-32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB56525	CL(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB12218	Dolichyl beta-D-mannosyl phosphate	OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39+,70-41+,71-43+,72-45+,73-47+,74-49+,75-51+,76-53+,77-55+,78-57+,79-59+,80-61+/t81?,82-,83-,84+,85+,86+/m1/s1
HMDB12219	Dopamine quinone	NCCC1=CC(=O)C(=O)C=C1	InChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4,9H2
HMDB53736	TG(20:3n6/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,63H,4-16,18-19,21-25,27-28,30-36,38-39,41-62H2,1-3H3/b20-17-,29-26-,40-37-
HMDB53737	TG(20:3n6/14:1(9Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,54H,4-14,21-23,28-29,34-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB53734	TG(20:3n6/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,40,43-44,47,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-
HMDB53735	TG(20:3n6/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,40,43-44,47,53,56,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-
HMDB53732	TG(20:3n6/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38-39,41-42,64H,4-7,9-10,12-16,19,22-25,28,31-37,40,43-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-
HMDB53733	TG(20:3n6/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38-39,41-42,47,50,64H,4-7,9-10,12-16,19,22-25,28,31-37,40,43-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-
HMDB53730	TG(20:3n6/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,40,62H,4-8,10-11,13-16,19,22-25,28,30-35,38-39,41-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,40-37-
HMDB53731	TG(20:3n6/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,40,42,45,62H,4-8,10-11,13-16,19,22-25,28,30-35,38-39,41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-
HMDB53738	TG(20:3n6/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,37,40,54H,4-14,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-
HMDB53739	TG(20:3n6/14:1(9Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,32,34,56H,4-14,21-23,28-31,33,35-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,34-32-
HMDB50278	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,40-41,43-44,50,53,62H,4-6,9,12-15,18,21-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-
HMDB50279	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-6,9,12-15,18,21-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-
HMDB50276	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,38-39,42,48,51,60H,4-6,9,12-15,18,21-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-
HMDB50277	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,9,12-15,18,21-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB50274	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-33,37,40,46,49,58H,4-6,9,12-15,18,21-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-
HMDB50275	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-33,37-38,40-41,46,49,58H,4-6,9,12-15,18,21-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-
HMDB50272	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-36,40-41,43-44,50,53,62H,4-7,9-10,12-15,18,21-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-
HMDB50273	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-7,9-10,12-15,18,21-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-
HMDB50270	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,18,21-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB50271	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,33,35-36,41,44,50,53,62H,4-7,9-10,12-15,18,21-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB54968	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,43,46,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-
HMDB54969	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB54966	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,36,41,44,54H,4-7,9-10,12-14,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-
HMDB54967	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,35-37,41,44,54H,4-7,9-10,12-14,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-
HMDB54964	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,42,45,51,54,65H,4-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,29-26-,37-35-,45-42-,54-51-
HMDB54965	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-14,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-
HMDB54962	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,55,58,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-54,56-57,59-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,58-55-
HMDB54963	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-
HMDB54960	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,53,56,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-
HMDB54961	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB00998	dCTP	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1	InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
HMDB00999	Phosphoribosylformylglycineamidine	O[C@H]1[C@@H](O)[C@H](NC(=N)CNC=O)O[C@@H]1COP(O)(O)=O	InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
HMDB00992	3-Succinoylpyridine	OC(=O)CCC(=O)C1=CC=CN=C1	InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)
HMDB00990	Acetaldehyde	CC=O	InChI=1S/C2H4O/c1-2-3/h2H,1H3
HMDB00991	DL-2-Aminooctanoic acid	CCCCCCC(N)C(O)=O	InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
HMDB00996	3-Sulfinoalanine	N[C@@H](CS(=O)=O)C(O)=O	InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)/t2-/m0/s1
HMDB00994	Dolichyl phosphate D-mannose	OC[C@H]1O[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1
HMDB00995	16-Dehydroprogesterone	[H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
HMDB11749	2-Piperidinone	O=C1CCCCN1	InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
HMDB11741	Gamma-Glutamyltyrosine	N[C@@H](CCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1
HMDB11740	Turanose	OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO	InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
HMDB11743	2-Phenylpropionate	CC(C(O)=O)C1=CC=CC=C1	InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
HMDB11742	Kojibiose	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O	InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1
HMDB11745	N-Acetyl-L-methionine	CSCCC(NC(C)=O)C(O)=O	InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)
HMDB11747	Ciliatine	NCCP(O)(O)=O	InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
HMDB52069	TG(24:1(15Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,36,41,44,50,53,64H,4-16,18-19,22-23,27,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,44-41-,53-50-
HMDB52068	TG(24:1(15Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,36,41,44,64H,4-16,18-19,22-23,27,30-33,35,37-40,42-43,45-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,44-41-
HMDB52061	TG(24:1(15Z)/18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,66H,4-20,22-23,27,30-65H2,1-3H3/b24-21-,28-25-,29-26-
HMDB52060	TG(24:1(15Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-39-42-45-48-51-54-60(62)65-58-59(66-61(63)55-52-49-46-43-40-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,59H,4-20,22-23,26,28-58H2,1-3H3/b24-21-,27-25-
HMDB52063	TG(24:1(15Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,34,40,43,60H,4-16,18-19,22-23,27,29-33,35-39,41-42,44-59H2,1-3H3/b20-17-,24-21-,28-25-,34-26-,43-40-
HMDB52062	TG(24:1(15Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,36,61H,4-19,22,26-27,30-35,37-60H2,1-3H3/b23-20-,24-21-,28-25-,36-29-
HMDB52065	TG(24:1(15Z)/18:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,37,39,62H,4-16,18-19,22-23,27,30-36,38,40-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-37-
HMDB52064	TG(24:1(15Z)/18:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,61H,4-13,15-16,18-20,22,27,29-60H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB52067	TG(24:1(15Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,64H,4-16,18-19,22-23,27,30-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-
HMDB52066	TG(24:1(15Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,37,39,45,48,62H,4-16,18-19,22-23,27,30-36,38,40-44,46-47,49-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-37-,48-45-
HMDB54388	TG(22:2(13Z,16Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,41,44,64H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,44-41-
HMDB54389	TG(22:2(13Z,16Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,41,44,50,53,64H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,44-41-,53-50-
HMDB01119	4-Hydroxy-4-(3-pyridyl)-butanoic acid	OC(CCC(O)=O)C1=CC=CN=C1	InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)
HMDB54382	TG(22:2(13Z,16Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,41,44,64H,4-15,18,21-24,27,30-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,44-41-
HMDB01114	Stearoyl-CoA	CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34?,38-/m1/s1
HMDB01117	4-Phosphopantothenoylcysteine	CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O	InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1
HMDB54381	TG(22:2(13Z,16Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,64H,4-15,18,21-24,27,30-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-
HMDB54386	TG(22:2(13Z,16Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,62H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-
HMDB54387	TG(22:2(13Z,16Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,45,48,62H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB01113	Isovaleryl-CoA	CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1
HMDB01112	D-Glyceraldehyde 3-phosphate	OC(COP(O)(O)=O)C=O	InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)
HMDB57721	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,63-64,68,83-85,90H,5-8,10-12,14-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-62,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB57720	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43,45-46,48-50,52,57-58,61-62,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,44,47,51,53-56,59-60,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,49-45-,50-46-,52-48-,61-57-,62-58-/t81?,82-,83-/m1/s1
HMDB57723	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1
HMDB57722	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,63,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-62,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-/t83?,84-,85-/m1/s1
HMDB40039	2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine	C\C=C1\CCCN=C1C(C)=O	InChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3-
HMDB40038	5-(1-Pyrrolidinylmethyl)-2-furanmethanol	OCC1=CC=C(CN2CCCC2)O1	InChI=1S/C10H15NO2/c12-8-10-4-3-9(13-10)7-11-5-1-2-6-11/h3-4,12H,1-2,5-8H2
HMDB57727	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,39-42,47-48,51-52,60,64,79-81,86H,5-8,10-12,14-20,23-24,29-30,37-38,43-46,49-50,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57726	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-20,23-24,29-30,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t80-,81-/m1/s1
HMDB40035	2-Pentylthiazole	CCCCCC1=NC=CS1	InChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3
HMDB40034	2-Ethylbenzothiazole	CCC1=NC2=C(S1)C=CC=C2	InChI=1S/C9H9NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
HMDB40037	1-Furfurylpyrrolidine	C(N1CCCC1)C1=CC=CO1	InChI=1S/C9H13NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h3-4,7H,1-2,5-6,8H2
HMDB40036	2-Ethylthiazole	CCC1=NC=CS1	InChI=1S/C5H7NS/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3
HMDB40031	2-Butylbenzothiazole	CCCCC1=NC2=CC=CC=C2S1	InChI=1S/C11H13NS/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3
HMDB40030	1-(1-Pyrrolidinyl)-2-propanone	CC(=O)CN1CCCC1	InChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h2-6H2,1H3
HMDB40033	2-Heptylbenzothiazole	CCCCCCCC1=NC2=C(S1)C=CC=C2	InChI=1S/C14H19NS/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3
HMDB40032	2-Hexylbenzothiazole	CCCCCCC1=NC2=C(S1)C=CC=C2	InChI=1S/C13H17NS/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-5,10H2,1H3
HMDB06769	19-Hydroxytestosterone	[H]C12CC[C@H](O)[C@@]1(C)CCC1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CO	InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15?,16?,17-,18-,19+/m0/s1
HMDB06768	19-Oxoandrost-4-ene-3,17-dione	[H]C12CCC(=O)[C@@]1(C)CCC1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C=O	InChI=1S/C19H24O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-16H,2-9H2,1H3/t14-,15?,16?,18-,19+/m0/s1
HMDB47480	TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38,40-41,43,49,52,64H,4-7,9-10,12-16,19,22-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB48209	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,54H,4-14,17,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,36-33-
HMDB06763	20a,22b-Dihydroxycholesterol	[H][C@@]12CC[C@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(O)CC[C@]12C	InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19?,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1
HMDB06762	17a,21-Dihydroxypreg-nenolone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
HMDB48204	TG(14:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30,32,36,39,58H,4-6,8-9,11-14,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-
HMDB06760	11b,17a,21-Trihydroxypreg-nenolone	CC12CC(O)C3C(CC=C4CC(O)CCC34C)C1CC[C@]2(O)C(=O)CO	InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13?,14?,15?,16?,18?,19?,20?,21-/m0/s1
HMDB48202	TG(14:1(9Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,34,56H,4-7,9-10,12-14,21-23,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-
HMDB06766	Estriol-16-Glucuronide	C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@@H]2O	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
HMDB06765	2-Methoxy-estradiol-17b 3-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3C2=C1	InChI=1S/C25H34O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,18-22,24,26-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,18-,19-,20-,21+,22-,24+,25-/m0/s1
HMDB06764	17a,20a-Dihydroxycholesterol	[H]C12CC[C@](O)([C@](C)(O)CCCC(C)C)[C@@]1(C)CCC1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21+,22?,23?,24-,25-,26+,27+/m0/s1
HMDB55381	TG(18:4(6Z,9Z,12Z,15Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,30-31,36-37,39-40,56H,4-7,10,13-16,19,22-25,28-29,32-35,38,41-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-,39-36-,40-37-
HMDB55380	TG(18:4(6Z,9Z,12Z,15Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,55H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,29-26-,38-35-
HMDB55383	TG(18:4(6Z,9Z,12Z,15Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,36,38,41-42,45,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-
HMDB55382	TG(18:4(6Z,9Z,12Z,15Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,36,38,41,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34-35,37,39-40,42-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-
HMDB55385	TG(18:4(6Z,9Z,12Z,15Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-
HMDB55384	TG(18:4(6Z,9Z,12Z,15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-
HMDB55387	TG(18:4(6Z,9Z,12Z,15Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,32-33,38-39,41-42,58H,4-7,10,13-16,19,22-25,28-31,34-37,40,43-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-,41-38-,42-39-
HMDB55386	TG(18:4(6Z,9Z,12Z,15Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,37,40,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,31-27-,40-37-
HMDB55389	TG(18:4(6Z,9Z,12Z,15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,38,40,43-44,47,60H,4-7,10,13-16,19,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB55388	TG(18:4(6Z,9Z,12Z,15Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,38,40,43,60H,4-7,10,13-16,19,22-25,28,30-33,36-37,39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-
HMDB54030	TG(20:4(5Z,8Z,11Z,14Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-39,41-42,55H,4-6,8-9,11-15,18,21-24,29-30,35-37,40,43-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB04690	Hepoxilin B3	CCCCC\C=C/C[C@@H]1O[C@@H]1C(O)\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1
HMDB04693	11H-14,15-EETA	CCCCCC1OC1\C=C\C(O)C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+
HMDB04692	12(R)-HPETE	CCCCC\C=C/C[C@@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
HMDB54034	TG(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,39-40,42-43,56H,4-15,18,21-24,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB04694	11,14,15-THETA	CCCCCC(O)C(O)\C=C\C(O)C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+
HMDB54036	TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,39,41,44,58H,4-15,18,21-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB04696	11(R)-HPETE	CCCCC\C=C/C=C/[C@@H](C\C=C/C\C=C/CCCC(O)=O)OO	InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1
HMDB04699	8(S)-HPETE	CCCCC\C=C/C\C=C/C=C/[C@H](C\C=C/CCCC(O)=O)OO	InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
HMDB54039	TG(20:4(5Z,8Z,11Z,14Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33-34,37-38,41,54H,4-7,9-10,12-15,18,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB55105	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-7,10,13-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB40783	Vinaginsenoside R13	CC(C)(O)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H84O20/c1-43(2)26-10-15-46(6)27(45(26,5)13-12-29(43)66-42-39(36(59)33(56)25(20-51)65-42)67-40-37(60)34(57)31(54)23(18-49)63-40)17-22(52)30-21(9-14-47(30,46)7)48(8,16-11-28(53)44(3,4)62)68-41-38(61)35(58)32(55)24(19-50)64-41/h21-42,49-62H,9-20H2,1-8H3
HMDB40782	Vinaginsenoside R12	CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H64O11/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8,45)14-11-24(40)32(3,4)44)9-13-34(25,6)35(22,7)16-20(29(31)33)46-30-28(43)27(42)26(41)21(17-37)47-30/h18-30,37-45H,9-17H2,1-8H3
HMDB40781	Vinaginsenoside R11	CC12CCC(C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)C1(C)CCC(O)C(C)(C)O1	InChI=1S/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(46)37(3,4)55-41)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(49)29(48)23(17-42)53-35)54-34-31(50)28(47)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3
HMDB40780	Vinaginsenoside R10	CC12CCC(C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O)C1(C)CCC(O)C(C)(C)O1	InChI=1S/C36H62O10/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8)14-11-24(40)32(3,4)46-36)9-13-34(25,6)35(22,7)16-20(29(31)33)44-30-28(43)27(42)26(41)21(17-37)45-30/h18-30,37-43H,9-17H2,1-8H3
HMDB40787	Murrastifoline F	COC1=CC(C)=C(N2C3=C(C=CC=C3)C3=C2C(OC)=CC(C)=C3)C2=C1NC1=C2C=CC=C1	InChI=1S/C28H24N2O2/c1-16-13-20-18-9-6-8-12-22(18)30(28(20)24(14-16)32-4)27-17(2)15-23(31-3)26-25(27)19-10-5-7-11-21(19)29-26/h5-15,29H,1-4H3
HMDB40786	Zanthobisquinolone	CN1C(=O)C(CC2=C(O)C3=C(C=CC=C3)N(C)C2=O)=C(O)C2=C1C=CC=C2	InChI=1S/C21H18N2O4/c1-22-16-9-5-3-7-12(16)18(24)14(20(22)26)11-15-19(25)13-8-4-6-10-17(13)23(2)21(15)27/h3-10,24-25H,11H2,1-2H3
HMDB40785	Mukoenine A	CC(C)=CCC1=C(O)C(C)=CC2=C1NC1=C2C=CC=C1	InChI=1S/C18H19NO/c1-11(2)8-9-14-17-15(10-12(3)18(14)20)13-6-4-5-7-16(13)19-17/h4-8,10,19-20H,9H2,1-3H3
HMDB40784	(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(CO)(CO)C5CCC34C)C2C1O)C(O)=O	InChI=1S/C30H48O6/c1-25(2)12-14-29(24(35)36)15-13-27(4)18(22(29)23(25)34)6-7-19-26(3)10-9-21(33)30(16-31,17-32)20(26)8-11-28(19,27)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)
HMDB51600	TG(22:1(13Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,39,62H,4-16,18-19,21-24,31-35,37-38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-
HMDB51601	TG(22:1(13Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,39,45,48,62H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB40789	Bikoeniquinone A	COC1=CC(C)=C(C2=C1NC1=C2C=CC=C1)C1=C(C)C(=O)C2=C(NC3=C2C=CC=C3)C1=O	InChI=1S/C27H20N2O3/c1-13-12-19(32-3)24-22(15-8-4-6-10-17(15)28-24)20(13)21-14(2)26(30)23-16-9-5-7-11-18(16)29-25(23)27(21)31/h4-12,28-29H,1-3H3
HMDB40788	Mukoenine B	CC(C)=CCC\C(C)=C/CC1=C(O)C(C=O)=CC2=C1NC1=CC=CC=C21	InChI=1S/C23H25NO2/c1-15(2)7-6-8-16(3)11-12-19-22-20(13-17(14-25)23(19)26)18-9-4-5-10-21(18)24-22/h4-5,7,9-11,13-14,24,26H,6,8,12H2,1-3H3/b16-11-
HMDB51604	TG(22:1(13Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,41,44,50,53,64H,4-15,17-18,20-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-
HMDB51605	TG(22:1(13Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-
HMDB51606	TG(22:1(13Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,40,43,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,43-40-
HMDB51607	TG(22:1(13Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,39,62H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-
HMDB09348	PE(20:3(5Z,8Z,11Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,22,24,28,30,35,38,42H,3-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB09349	PE(20:3(8Z,11Z,14Z)/14:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,37H,3-10,12,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-/t37-/m1/s1
HMDB09340	PE(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-10,12,14-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1
HMDB09341	PE(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33,45H,3-4,6,8-10,12,14-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1
HMDB09342	PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-4,6,8-10,12,14-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1
HMDB09343	PE(20:3(5Z,8Z,11Z)/24:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,27,29,33,35,47H,3-17,19,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b20-18-,29-27-,35-33-/t47-/m1/s1
HMDB09344	PE(20:3(5Z,8Z,11Z)/24:1(15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,27,29,33,35,47H,3-16,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-,29-27-,35-33-/t47-/m1/s1
HMDB09345	PE(20:3(5Z,8Z,11Z)/P-16:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,21-22,26,28,33,36,40H,3-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,22-21-,28-26-,36-33-/t40-/m1/s1
HMDB09346	PE(20:3(5Z,8Z,11Z)/P-18:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,35,38,42H,3-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB09347	PE(20:3(5Z,8Z,11Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,35,38,42H,3-13,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB35927	1-Nonen-4-one	CCCCCC(=O)CC=C	InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h4H,2-3,5-8H2,1H3
HMDB35926	8-Nonen-2-one	CC(=O)CCCCCC=C	InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3H,1,4-8H2,2H3
HMDB35925	4-(1-Methylethenyl)benzaldehyde	CC(=C)C1=CC=C(C=O)C=C1	InChI=1S/C10H10O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-7H,1H2,2H3
HMDB35924	Pyrrole	N1C=CC=C1	InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
HMDB35923	Hirsutin	CS(=O)CCCCCCCCN=C=S	InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3
HMDB35922	Nigakihemiacetal B	COC1=CC(C)C2CC3OC(O)CC4C(C)=C(OC)C(=O)C(C34C)C2(C)C1=O	InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3
HMDB35921	Limonin	CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1	InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3
HMDB35920	Taraxasterol	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1=C	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3
HMDB35929	(R)-Cryptone	CC(C)C1CCC(=O)C=C1	InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3
HMDB35928	Zeaxanthin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
HMDB56890	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56891	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56892	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56893	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB41788	Vanillic acid 4-sulfate	[H]OC(=O)C1=C([H])C(OC([H])([H])[H])=C(OS(=O)(=O)O[H])C([H])=C1[H]	InChI=1S/C8H8O7S/c1-14-7-4-5(8(9)10)2-3-6(7)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)
HMDB41789	Vanillin 4-sulfate	[H]OS(=O)(=O)OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H]	InChI=1S/C9H10O6S/c1-6(10)7-3-4-8(9(5-7)14-2)15-16(11,12)13/h3-5H,1-2H3,(H,11,12,13)
HMDB56896	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56897	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB41784	trans-Resveratrol 4'-sulfate	[H]OC1=C([H])C(\C([H])=C(/[H])C2=C([H])C([H])=C(OS(=O)(=O)O[H])C([H])=C2[H])=C([H])C(O[H])=C1[H]	InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+
HMDB41785	Tyrosol 4-sulfate	[H]OC([H])([H])C([H])([H])C1=C([H])C([H])=C(OS(=O)(=O)O[H])C([H])=C1[H]	InChI=1S/C8H10O5S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4,9H,5-6H2,(H,10,11,12)
HMDB41786	Urolithin A 3,8-O-diglucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C([H])=C2[H])C2=C(C([H])=C(O[C@]4([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C([H])=C2[H])C(=O)O3)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C25H24O16/c26-13-15(28)19(21(32)33)40-24(17(13)30)37-7-1-3-9-10-4-2-8(6-12(10)39-23(36)11(9)5-7)38-25-18(31)14(27)16(29)20(41-25)22(34)35/h1-6,13-20,24-31H,(H,32,33)(H,34,35)/t13-,14-,15-,16-,17+,18+,19-,20-,24+,25+/m0/s1
HMDB41787	Urolithin B 3-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C([H])=C2[H])C2=C(C([H])=C([H])C([H])=C2[H])C(=O)O3)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C19H16O9/c20-13-14(21)16(17(23)24)28-19(15(13)22)26-8-5-6-10-9-3-1-2-4-11(9)18(25)27-12(10)7-8/h1-7,13-16,19-22H,(H,23,24)/t13-,14-,15+,16-,19+/m0/s1
HMDB41780	trans-Resveratrol 3,4'-disulfate	[H]OC1=C([H])C(OS(=O)(=O)O[H])=C([H])C(\C([H])=C(/[H])C2=C([H])C([H])=C(OS(=O)(=O)O[H])C([H])=C2[H])=C1[H]	InChI=1S/C14H12O9S2/c15-12-7-11(8-14(9-12)23-25(19,20)21)2-1-10-3-5-13(6-4-10)22-24(16,17)18/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+
HMDB41781	trans-Resveratrol 3,5-disulfate	[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C(OS(=O)(=O)O[H])=C([H])C(OS(=O)(=O)O[H])=C2[H])C([H])=C1[H]	InChI=1S/C14H12O9S2/c15-12-5-3-10(4-6-12)1-2-11-7-13(22-24(16,17)18)9-14(8-11)23-25(19,20)21/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+
HMDB41782	trans-Resveratrol 3-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(\C([H])=C(/[H])C3=C([H])C([H])=C(O[H])C([H])=C3[H])=C([H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1
HMDB41783	trans-Resveratrol 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(\C([H])=C(/[H])C3=C([H])C(O[H])=C([H])C(O[H])=C3[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1
HMDB49551	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB49550	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,48,51,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-
HMDB07418	DG(20:2(11Z,14Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,37,40H,3-10,12,15,19-36H2,1-2H3/b13-11-,16-14-,18-17-/t37-/m0/s1
HMDB07419	DG(20:2(11Z,14Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-/m0/s1
HMDB49555	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27,30,54H,4-8,10-11,13-17,24-26,28-29,31-53H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-
HMDB49554	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,37,40,46,49,59H,4-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,40-37-,49-46-
HMDB49557	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,31,56H,4-8,10-11,13-17,19,22,24,26,29-30,32-55H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-
HMDB49556	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,26-27,29-30,54H,4-8,10-11,13-17,20,23-25,28,31-53H2,1-3H3/b12-9-,21-18-,22-19-,29-26-,30-27-
HMDB07412	DG(20:1(11Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,45,48H,3-17,19,21-44H2,1-2H3/b20-18-/t45-/m0/s1
HMDB07413	DG(20:1(11Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-/t45-/m0/s1
HMDB07410	DG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-/t43-/m0/s1
HMDB07411	DG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,34,36,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m0/s1
HMDB07416	DG(20:2(11Z,14Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,36,39H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-/m0/s1
HMDB07417	DG(20:2(11Z,14Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37-/m0/s1
HMDB07414	DG(20:2(11Z,14Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,35,38H,3-10,12,14-15,18-34H2,1-2H3/b13-11-,17-16-/t35-/m0/s1
HMDB07415	DG(20:2(11Z,14Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,35,38H,3-9,14-15,18-34H2,1-2H3/b12-10-,13-11-,17-16-/t35-/m0/s1
HMDB50158	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,40-41,43-44,50,53,62H,4-6,8-9,11-15,18,21-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-
HMDB33448	Retrofractamide C	CC(C)CNC(=O)\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1	InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+
HMDB33449	Pipercide	CC(C)CNC(=O)\C=C\C=C\CCCC\C=C\C1=CC2=C(OCO2)C=C1	InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+
HMDB33446	Rutagravine	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC3C1OCC3(C)O)C=C2O	InChI=1S/C19H17NO5/c1-19(23)8-24-17-14-12(25-18(17)19)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3
HMDB33447	Retrofractamides; Retrofractamide A	CC(C)CNC(=O)\C=C\C=C\CC\C=C\C1=CC2=C(OCO2)C=C1	InChI=1S/C20H25NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3,(H,21,22)/b6-4+,9-7+,10-8+
HMDB33444	15-Acetyl-4-deoxynivalenol	CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1	InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3
HMDB33445	Honyumine	COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=C3C=CC(C)(C)OC3=C1)C2=O	InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12-15(17(10)23)18(24)11-5-6-13(22)19(25-4)16(11)21(12)3/h5-9,22-23H,1-4H3
HMDB33442	Mytilin B	COC1=C(CC(O)(CO)C\C1=[NH+]/C(C(C)O)C(O)=O)NCC(O)=O.COC1=C(CC(O)(CO)C\C1=[NH+]/CC(O)=O)NC(C(C)O)C(O)=O	InChI=1S/2C14H22N2O8/c2*1-7(18)11(13(21)22)16-9-4-14(23,6-17)3-8(12(9)24-2)15-5-10(19)20/h7,11,16-18,23H,3-6H2,1-2H3,(H,19,20)(H,21,22);7,11,15,17-18,23H,3-6H2,1-2H3,(H,19,20)(H,21,22)/p+2/b15-8+;16-9+
HMDB33443	Sorgoleone 358	COC1=CC(=O)C(O)=C(CCCCCCC\C=C\C\C=C\CC=C)C1=O	InChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/b6-5+,9-8+
HMDB33440	Narcotoline	COC1=C(OC)C2=C(C=C1)C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(O)=C12	InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3
HMDB33441	()-alpha-Narcotine	COC1=C(OC)C2=C(C=C1)C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(OC)=C12	InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3
HMDB46064	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB46065	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,52,55,64H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB46066	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,52,55,64H,4-15,18,21-24,27,30-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,55-52-
HMDB46067	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-15,18,21-24,27,30-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-
HMDB46060	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,32,34-35,40,43,49,52,61H,4-15,17-18,20,22-23,26-27,29,31,33,36-39,41-42,44-48,50-51,53-60H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,35-30-,43-40-,52-49-
HMDB46061	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,39-40,42-43,48,51,60H,4-15,17,20,22-24,26,29-30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-,51-48-
HMDB46062	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,32,34,40,43,49,52,61H,4-14,17,20-23,26,29-31,33,35-39,41-42,44-48,50-51,53-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,34-32-,43-40-,52-49-
HMDB46063	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,32,35-36,39,41,44,50,53,62H,4-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,53-50-
HMDB46068	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,39,42,48,51,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,51-48-
HMDB46069	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,39-40,42-43,48,51,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-,51-48-
HMDB45400	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-
HMDB45407	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33,35,41,44,62H,4-7,9-10,12-16,18-19,21-24,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,35-33-,44-41-
HMDB45406	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB45405	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,39,42,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,42-39-
HMDB32711	Pectenotoxin 7	CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C(O)=O)O4)C1O	InChI=1S/C47H68O16/c1-25-9-10-31-33(21-36(56-31)47(54)38(49)27(3)13-19-55-47)57-40(51)28(4)30-8-7-14-45(58-30)16-11-32(59-45)39(50)43(6)23-29(48)37(62-43)34-24-44(41(52)53)17-18-46(60-34,63-44)35-12-15-42(5,61-35)22-26(2)20-25/h9-10,20,26-28,30-39,49-50,54H,7-8,11-19,21-24H2,1-6H3,(H,52,53)/b10-9+,25-20+
HMDB32710	2-(1-Naphthyl)acetamide	NC(=O)CC1=CC=CC2=C1C=CC=C2	InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
HMDB32713	3,4',5-Biphenyltriol	OC1=CC=C(C=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C12H10O3/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-7,13-15H
HMDB32712	1,4-Undecadiene	CCCCCC\C=C\CC=C	InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+
HMDB39127	Pisatoside	OCC1OC(OC2C=CNC2=O)C(O)C(O)C1O	InChI=1S/C10H15NO7/c12-3-5-6(13)7(14)8(15)10(18-5)17-4-1-2-11-9(4)16/h1-2,4-8,10,12-15H,3H2,(H,11,16)
HMDB39126	Wybutoxine	COC(=O)NC(C(CC1=C(C)N=C2N1C(=O)C1=C(N=CN1)N2C)OO)C(=O)OC	InChI=1S/C16H20N6O7/c1-7-8(5-9(29-26)10(14(24)27-3)20-16(25)28-4)22-13(23)11-12(18-6-17-11)21(2)15(22)19-7/h6,9-10,26H,5H2,1-4H3,(H,17,18)(H,20,25)
HMDB32717	Lepidine C	COC1=CC=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=C1	InChI=1S/C21H20N4O2/c1-26-17-5-6-19(16(13-17)14-21-24-9-10-25-21)27-18-4-2-3-15(11-18)12-20-22-7-8-23-20/h2-11,13H,12,14H2,1H3,(H,22,23)(H,24,25)
HMDB32716	Lepidine D	OC1=CC=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=C1	InChI=1S/C20H18N4O2/c25-16-4-5-18(15(12-16)13-20-23-8-9-24-20)26-17-3-1-2-14(10-17)11-19-21-6-7-22-19/h1-10,12,25H,11,13H2,(H,21,22)(H,23,24)
HMDB32719	Isofumonisin B1	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCCC(O)C(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)
HMDB32718	Dihydroretrofractamide B	CC(C)CNC(=O)\C=C\C=C\CCCCCCC1=CC2=C(OCO2)C=C1	InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8,10,12-15,18H,3-5,7,9,11,16-17H2,1-2H3,(H,23,24)/b8-6+,12-10+
HMDB39129	Goshuyic acid	CCCCC\C=C/C\C=C\CCCC(O)=O	InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6-,10-9+
HMDB39128	(3'RS,3'SR)-Astaxanthin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C	InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15-,28-16+,29-19+,30-20+
HMDB03409	Berberine	COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3	InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
HMDB55814	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,39-40,42-43,48,51,62H,4-6,9,12-15,18,21-24,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-
HMDB55817	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50,53,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-40,43,46-49,51-52,54-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-
HMDB55816	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-40,43,46-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-
HMDB31354	Capsicosin	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C57H94O29/c1-20-7-10-57(75-19-20)21(2)34-28(86-57)12-25-23-6-5-22-11-27(26(63)13-56(22,4)24(23)8-9-55(25,34)3)76-53-45(74)47(37(66)31(16-60)79-53)83-52-44(73)41(70)46(33(18-62)81-52)82-54-49(85-51-43(72)40(69)36(65)30(15-59)78-51)48(38(67)32(17-61)80-54)84-50-42(71)39(68)35(64)29(14-58)77-50/h20-54,58-74H,5-19H2,1-4H3
HMDB31355	28-Hydroxywithanolide E	CC1=C(CO)CC(OC1=O)C(C)(O)C1(O)CCC2(O)C3CC4OC44CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H38O8/c1-15-16(14-29)12-20(35-22(15)31)25(4,32)28(34)11-10-26(33)18-13-21-27(36-21)8-5-6-19(30)24(27,3)17(18)7-9-23(26,28)2/h5-6,17-18,20-21,29,32-34H,7-14H2,1-4H3
HMDB31356	Asterlingulatoside D	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C57H92O25/c1-23-43(79-47-42(71)44(28(61)22-74-47)80-46-39(68)34(63)26(59)20-73-46)38(67)41(70)48(76-23)81-45-35(64)27(60)21-75-50(45)82-51(72)57-16-15-52(2,3)17-25(57)24-9-10-31-54(6)13-12-33(78-49-40(69)37(66)36(65)29(19-58)77-49)53(4,5)30(54)11-14-55(31,7)56(24,8)18-32(57)62/h9,23,25-50,58-71H,10-22H2,1-8H3
HMDB31357	Pitheduloside A	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C41H66O13/c1-36(2)14-15-41(35(49)50)21(16-36)20-8-9-25-38(5)12-11-27(37(3,4)24(38)10-13-39(25,6)40(20,7)17-26(41)43)54-34-32(48)30(46)29(45)23(53-34)19-52-33-31(47)28(44)22(42)18-51-33/h8,21-34,42-48H,9-19H2,1-7H3,(H,49,50)
HMDB31350	Oleoside dimethyl ester	COC(=O)CC1\C(=C\C)C(OC2OC(CO)C(O)C(O)C2O)OC=C1C(=O)OC	InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7,9,11,13-15,17-19,21-23H,5-6H2,1-3H3/b8-4-
HMDB31351	Cyclohexanol, 9CI; Formyl	O=COC1CCCCC1	InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2
HMDB31352	Cyclohexanol, 9CI; Ac	CC(=O)OC1CCCCC1	InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
HMDB31353	Kudzusaponin SA4	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(C(O)C(O)C6O)C(O)=O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C47H74O20/c1-42(2)16-20-19-8-9-23-44(4)12-11-24(63-41-34(29(54)28(53)33(65-41)38(60)61)66-40-31(56)26(51)27(52)32(64-40)37(58)59)45(5,18-48)22(44)10-13-47(23,7)46(19,6)15-14-43(20,3)36(35(42)57)67-39-30(55)25(50)21(49)17-62-39/h8,20-36,39-41,48-57H,9-18H2,1-7H3,(H,58,59)(H,60,61)
HMDB31358	Pitheduloside D	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C46H74O17/c1-41(2)14-15-46(40(56)57)22(16-41)21-8-9-27-43(5)12-11-29(42(3,4)26(43)10-13-44(27,6)45(21,7)17-28(46)49)62-38-35(55)33(53)32(52)25(61-38)20-60-39-36(31(51)24(48)19-59-39)63-37-34(54)30(50)23(47)18-58-37/h8,22-39,47-55H,9-20H2,1-7H3,(H,56,57)
HMDB31359	2,4-Undecadienal	CCCCCC\C=C\C=C\C=O	InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-11H,2-6H2,1H3/b8-7+,10-9+
HMDB47339	TG(24:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB47338	TG(24:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-
HMDB30407	Merodesmosine	NC(CCCCNC\C(CCC(N)C(O)=O)=C\CCCC(N)C(O)=O)C(O)=O	InChI=1S/C18H34N4O6/c19-13(16(23)24)6-2-1-5-12(8-9-15(21)18(27)28)11-22-10-4-3-7-14(20)17(25)26/h5,13-15,22H,1-4,6-11,19-21H2,(H,23,24)(H,25,26)(H,27,28)/b12-5+
HMDB30406	L-2-Amino-5-(methylthio)pentanoic acid	CSCCCC(N)C(O)=O	InChI=1S/C6H13NO2S/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
HMDB40819	Nb-Lignoceroyltryptamine	CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37)
HMDB40818	Nb-Tricosanoyltryptamine	CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-27-30-29-35-32-25-23-22-24-31(30)32/h22-25,29,35H,2-21,26-28H2,1H3,(H,34,36)
HMDB30403	p-Menth-1-en-4-ol; (x)-form, (5-Isopropyl-2-methylphenyl) ether	CC(C)C1=CC(OC2(CCC(C)=CC2)C(C)C)=C(C)C=C1	InChI=1S/C20H30O/c1-14(2)18-8-7-17(6)19(13-18)21-20(15(3)4)11-9-16(5)10-12-20/h7-9,13-15H,10-12H2,1-6H3
HMDB30402	L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid	OC(=O)C1CCONC(=N)N1	InChI=1S/C5H9N3O3/c6-5-7-3(4(9)10)1-2-11-8-5/h3H,1-2H2,(H,9,10)(H3,6,7,8)
HMDB30401	AK toxin I	CC(C(NC(C)=O)C(=O)OC(\C=C\C=C/C=C/C(O)=O)C1(C)CO1)C1=CC=CC=C1	InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+
HMDB30400	L-4-Chlorotryptophan	NC(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O	InChI=1S/C11H11ClN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)
HMDB40813	3'-O-Methylgancaonin P	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2O1	InChI=1S/C21H20O7/c1-10(2)4-6-12-14(23)9-16-17(18(12)24)19(25)20(26)21(28-16)11-5-7-13(22)15(8-11)27-3/h4-5,7-9,22-24,26H,6H2,1-3H3
HMDB40812	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',5,6,7,8-Hexa-Me ether, 3-O-(4-O-3-hydroxy-3-methylglutaroyl-b-D-glucopyranoside)	COC1=CC=C(C=C1OC)C1=C(OC2OC(CO)C(OC(=O)CC(C)(O)CC(O)=O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC	InChI=1S/C33H40O18/c1-33(41,11-18(35)36)12-19(37)49-25-17(13-34)48-32(23(40)22(25)39)51-28-21(38)20-26(44-4)29(45-5)31(47-7)30(46-6)27(20)50-24(28)14-8-9-15(42-2)16(10-14)43-3/h8-10,17,22-23,25,32,34,39-41H,11-13H2,1-7H3,(H,35,36)
HMDB40811	Dehydropipernonaline	O=C(\C=C\C=C\CC\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1	InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+
HMDB40810	Phytolaccoside I	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CCC5(CCC43C)C(O)=O)C(O)=O)C2(C)CO)C(O)C(O)C1O	InChI=1S/C47H74O19/c1-21-29(51)32(54)34(56)37(62-21)65-36-33(55)31(53)25(18-48)63-39(36)66-35-30(52)24(50)19-61-38(35)64-28-10-11-43(3)26(44(28,4)20-49)9-12-46(6)27(43)8-7-22-23-17-42(2,40(57)58)13-15-47(23,41(59)60)16-14-45(22,46)5/h7,21,23-39,48-56H,8-20H2,1-6H3,(H,57,58)(H,59,60)
HMDB40817	Nb-Arachidoyltryptamine	CCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-24-27-26-32-29-22-20-19-21-28(27)29/h19-22,26,32H,2-18,23-25H2,1H3,(H,31,33)
HMDB40816	Nb-Stearoyltryptamine	CCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(31)29-23-22-25-24-30-27-20-18-17-19-26(25)27/h17-20,24,30H,2-16,21-23H2,1H3,(H,29,31)
HMDB40815	Nb-Palmitoyltryptamine	CCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29)
HMDB30408	2-Amino-3,4-dihydroxypentanedioic acid	NC(C(O)C(O)C(O)=O)C(O)=O	InChI=1S/C5H9NO6/c6-1(4(9)10)2(7)3(8)5(11)12/h1-3,7-8H,6H2,(H,9,10)(H,11,12)
HMDB44009	TG(16:0/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,64H,4-24,26,28-63H2,1-3H3/b27-25-
HMDB50151	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,33,35-36,41,44,50,53,62H,4-15,18,21-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB01928	Hydrochlorothiazide	NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1	InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
HMDB01929	Levofloxacin	C[C@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O	InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
HMDB01924	Atenolol	CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1	InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
HMDB01925	Ibuprofen	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
HMDB01926	17a-Ethynylestradiol	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H]	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
HMDB01927	Diphenhydramine	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
HMDB01920	Dextromethorphan	COC1=CC2=C(C[C@@H]3[C@@H]4CCCC[C@@]24CCN3C)C=C1	InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18-/m0/s1
HMDB01921	1,1-Dimethylbiguanide	CN(C)C(=N)NC(N)=N	InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
HMDB01922	Clotrimazole	ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
HMDB01923	Naproxen	COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O	InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
HMDB42259	TG(14:0/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,34,36,58H,4-16,18-19,21-24,26,28-33,35,37-57H2,1-3H3/b20-17-,27-25-,36-34-
HMDB38623	Azukisaponin VI	CC12CCC(C)(CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C54H86O25/c1-49-13-14-50(2,48(71)79-46-40(68)35(63)32(60)26(75-46)20-72-44-38(66)33(61)30(58)24(18-55)73-44)17-23(49)22-7-8-28-51(3)11-10-29(52(4,21-57)27(51)9-12-54(28,6)53(22,5)16-15-49)76-47-42(37(65)36(64)41(77-47)43(69)70)78-45-39(67)34(62)31(59)25(19-56)74-45/h7,23-42,44-47,55-68H,8-21H2,1-6H3,(H,69,70)
HMDB49575	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,30,55H,4-8,10-11,13-17,19,22,24-26,28-29,31-54H2,1-3H3/b12-9-,21-18-,23-20-,30-27-
HMDB35210	10-Hydroxymyoporone	CC(C)C(O)C(=O)CC(C)CCC(=O)C1=COC=C1	InChI=1S/C15H22O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,15,18H,4-5,8H2,1-3H3
HMDB35213	beta-Thujaplicin	CC(C)C1=CC=CC(=O)C(O)=C1	InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
HMDB08754	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-
HMDB08755	PC(24:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-28-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
HMDB08756	PC(24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-28-17-15-13-11-9-7-2/h13,15,44H,6-12,14,16-43H2,1-5H3/b15-13-/t44-/m1/s1
HMDB38620	Acidissiminin epoxide	CCCCCCCCCCCCCCCCCC(=O)OC(CC1OC1(C)C)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1	InChI=1S/C43H65NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(45)48-39(34-40-43(3,4)49-40)35(2)31-33-47-38-28-26-36(27-29-38)30-32-44-42(46)37-23-20-19-21-24-37/h19-21,23-24,26-29,31,39-40H,5-18,22,25,30,32-34H2,1-4H3,(H,44,46)/b35-31+
HMDB08750	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,30,34,36,40,42,52H,6-8,10,12-14,16,18-19,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1
HMDB08751	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,38,41,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-,41-38-
HMDB08752	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-,43-40-
HMDB08753	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,18,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,31-29-,37-35-,43-40-
HMDB35215	Ximenic acid	CCCCCCCC\C=C\CCCCCCCCCCCCCCCC(O)=O	InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9+
HMDB08758	PC(24:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-28-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1
HMDB08759	PC(24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-28-19-17-15-13-11-9-7-2/h17,19,46H,6-16,18,20-45H2,1-5H3/b19-17-/t46-/m1/s1
HMDB38626	Xanthotoxol; O-b-D-Glucopyranoside	OCC1OC(OC2=C3OC=CC3=CC3=C2OC(=O)C=C3)C(O)C(O)C1O	InChI=1S/C17H16O9/c18-6-9-11(20)12(21)13(22)17(24-9)26-16-14-8(3-4-23-14)5-7-1-2-10(19)25-15(7)16/h1-5,9,11-13,17-18,20-22H,6H2
HMDB49574	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30-31,33,36,39,45,48,58H,4-6,8,11,13-15,17,22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-
HMDB38625	Medicanine	OCCCN1CCC1C(O)=O	InChI=1S/C7H13NO3/c9-5-1-3-8-4-2-6(8)7(10)11/h6,9H,1-5H2,(H,10,11)
HMDB38624	Thiiraneacetonitrile	N#CCC1CS1	InChI=1S/C4H5NS/c5-2-1-4-3-6-4/h4H,1,3H2
HMDB38653	Koetjapic acid	CC(=C)C1CCC2(C)C(CC=C3C4CC(C)(CCC4(C)CCC23C)C(O)=O)C1(C)CCC(O)=O	InChI=1S/C30H46O4/c1-19(2)20-10-13-30(7)23(28(20,5)12-11-24(31)32)9-8-21-22-18-27(4,25(33)34)15-14-26(22,3)16-17-29(21,30)6/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)
HMDB38650	Cycloclausenamide	CN1C2C(OC(C2C2=CC=CC=C2)C1=O)C1=CC=CC=C1	InChI=1S/C18H17NO2/c1-19-15-14(12-8-4-2-5-9-12)17(18(19)20)21-16(15)13-10-6-3-7-11-13/h2-11,14-17H,1H3
HMDB38651	Homoclausenamide	CN1C=C(C(C(O)C1=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C18H17NO2/c1-19-12-15(13-8-4-2-5-9-13)16(17(20)18(19)21)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3
HMDB38656	(22E,24R)-Stigmasta-4,22-diene-3,6-dione	CCC(\C=C\C(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+
HMDB38657	(24R)-Ergost-4-ene-3,6-dione	CC(C)C(C)CCC(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C	InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17-19,21-24H,7-14,16H2,1-6H3
HMDB38654	Motrilin	CCCCCC(O)CCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-13-19-30(38)20-16-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-15-12-10-8-6-5-7-9-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB38655	25-Dehydrofungisterol	CC(CCC(C)C(C)=C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,19-22,24-26,29H,1,7-9,11-17H2,2-6H3
HMDB38658	(24S)-Ergost-4-en-3-one	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)C(C)C	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20+,23-,24+,25-,26-,27-,28+/m0/s1
HMDB38659	Cicerin	COC1=C(C=C2OCOC2=C1)C1COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C17H14O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h2-5,10,18-19H,6-7H2,1H3
HMDB49573	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30-31,33,36,39,58H,4-6,8,11,13-15,17,22,24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-
HMDB36768	Furanodienone	CC1=COC2=C1C(=O)\C=C(C)/CC\C=C(C)\C2	InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6+
HMDB36769	Furanodiene	CC1=COC2=C1C\C=C(C)\CC\C=C(C)\C2	InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+
HMDB36760	(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid	CC1(CCCC2(C)C1CCC13CC(CC=C21)C(O)(CO)C3)C(O)=O	InChI=1S/C20H30O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h5,13-14,21,24H,3-4,6-12H2,1-2H3,(H,22,23)
HMDB36761	7,18-Dihydroxykaurenolide	CC12CCCC3(CO)C1C(OC3=O)C(O)C13CC(CCC21)C(=C)C3	InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-13(20)18(2)6-3-7-19(10-21)15(18)14(16(20)22)24-17(19)23/h12-16,21-22H,1,3-10H2,2H3
HMDB36762	ent-15-Oxo-16-kauren-19-oic acid	CC12CCCC(C)(C1CCC13CC(CCC21)C(=C)C3=O)C(O)=O	InChI=1S/C20H28O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-15H,1,4-11H2,2-3H3,(H,22,23)
HMDB36763	(ent-6alpha,7alpha)-6,7-Dihydroxy-16-kauren-19-oic acid	CC12CCCC(C)(C1C(O)C(O)C13CC(CCC21)C(=C)C3)C(O)=O	InChI=1S/C20H30O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(21)16(20)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)
HMDB36764	Romucosine C	COC(=O)N1CCC2=C3C1CC1=CC=C(O)C=C1C3=C(OC)C(OC)=C2	InChI=1S/C20H21NO5/c1-24-16-9-12-6-7-21(20(23)26-3)15-8-11-4-5-13(22)10-14(11)18(17(12)15)19(16)25-2/h4-5,9-10,15,22H,6-8H2,1-3H3
HMDB36765	Romucosine D	COC(=O)N1CCC2=C3C1CC1=CC=C(OC)C=C1C3=C(OC)C(OC)=C2	InChI=1S/C21H23NO5/c1-24-14-6-5-12-9-16-18-13(7-8-22(16)21(23)27-4)10-17(25-2)20(26-3)19(18)15(12)11-14/h5-6,10-11,16H,7-9H2,1-4H3
HMDB36766	Furanogermenone	CC1CC\C=C(C)/CC2=C(CC1=O)C(C)=CO2	InChI=1S/C15H20O2/c1-10-5-4-6-11(2)14(16)8-13-12(3)9-17-15(13)7-10/h5,9,11H,4,6-8H2,1-3H3/b10-5-
HMDB36767	Zederone	CC1=COC2=C1C(=O)C1OC1(C)CC\C=C(C)\C2	InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5+
HMDB40705	Allixin	CCCCCC1=C(O)C(=O)C(OC)=C(C)O1	InChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3
HMDB49572	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,31-32,34,40,43,56H,4-6,8,11,13-15,17,22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,43-40-
HMDB48838	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-31,34,40,43,55H,4-15,17-18,22,26,29,32-33,35-39,41-42,44-54H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-28-,34-31-,43-40-
HMDB38388	Cyclopassifloic acid B	CC(C)C(O)(CO)CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O	InChI=1S/C31H52O6/c1-18(2)30(37,17-32)12-9-19(3)20-10-11-27(5)21-7-8-22-28(6,25(35)36)23(33)15-24(34)31(22)16-29(21,31)14-13-26(20,27)4/h18-24,32-34,37H,7-17H2,1-6H3,(H,35,36)
HMDB38389	Cyclopassifloside II	CC(C)C(O)(CO)CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C37H62O11/c1-19(2)36(46,18-39)12-9-20(3)21-10-11-33(5)23-7-8-24-34(6,31(45)48-30-29(44)28(43)27(42)22(16-38)47-30)25(40)15-26(41)37(24)17-35(23,37)14-13-32(21,33)4/h19-30,38-44,46H,7-18H2,1-6H3
HMDB38380	Triton X 100	CC(C)(C)CC(C)(C)C1=CC=C(OCCCCCCCCCCO)C=C1	InChI=1S/C24H42O2/c1-23(2,3)20-24(4,5)21-14-16-22(17-15-21)26-19-13-11-9-7-6-8-10-12-18-25/h14-17,25H,6-13,18-20H2,1-5H3
HMDB38381	2-(3,4,5-Trihydroxyphenyl)ethanol; 3',5'-Di-Me ether, 4'-O-b-D-glucopyranoside	COC1=CC(CCO)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H24O9/c1-22-9-5-8(3-4-17)6-10(23-2)15(9)25-16-14(21)13(20)12(19)11(7-18)24-16/h5-6,11-14,16-21H,3-4,7H2,1-2H3
HMDB38382	Desglucoparillin	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H74O17/c1-19-8-13-45(56-17-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)58-42-38(54)35(51)39(61-41-37(53)33(49)31(47)21(3)57-41)29(60-42)18-55-40-36(52)34(50)32(48)28(16-46)59-40/h19-42,46-54H,6-18H2,1-5H3
HMDB38383	3-Hydroxypregna-5,16-dien-20-one; 3b-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(CO)OC(OC5CCC6(C)C7CCC8(C)C(CC=C8C(C)=O)C7CC=C6C5)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C45H70O19/c1-17(47)24-9-10-25-23-8-7-21-15-22(11-13-44(21,5)26(23)12-14-45(24,25)6)60-43-36(56)32(52)39(27(16-46)61-43)64-42-35(55)31(51)38(20(4)59-42)63-41-34(54)30(50)37(19(3)58-41)62-40-33(53)29(49)28(48)18(2)57-40/h7,9,18-20,22-23,25-43,46,48-56H,8,10-16H2,1-6H3
HMDB38384	Neoglucobrassicin	CON1C=C(C\C(SC2OC(CO)C(O)C(O)C2O)=N/OS(O)(=O)=O)C2=C1C=CC=C2	InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13+
HMDB38385	Lentinic acid	CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C12H22N2O10S4/c1-28(23,24)7-27(22)6-26(21)5-25(20)4-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h8-9H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)
HMDB38386	Diellagilactone	OC1=CC2=C3C(OC(=O)C4=C3C(OC2=O)=C(O)C(O)=C4C2=C(O)C(O)=C3OC(=O)C4=C5C(OC(=O)C2=C35)=C(O)C(O)=C4)=C1O	InChI=1S/C28H10O16/c29-5-1-3-7-11-13(27(39)43-21(7)15(5)31)9(17(33)19(35)23(11)41-25(3)37)10-14-12-8-4(26(38)42-24(12)20(36)18(10)34)2-6(30)16(32)22(8)44-28(14)40/h1-2,29-36H
HMDB38387	33-Deoxy-33-hydroperoxyfurohyperforin	CC(C)C(=O)C12C(=O)C(CC=C(C)C)=C3OC(CC3(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O)C(C)(C)OO	InChI=1S/C35H52O6/c1-21(2)13-12-18-33(11)25(16-14-22(3)4)19-34-20-27(32(9,10)41-39)40-30(34)26(17-15-23(5)6)29(37)35(33,31(34)38)28(36)24(7)8/h13-15,24-25,27,39H,12,16-20H2,1-11H3
HMDB35156	3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, Formyl	CC(C)=CCC\C(C)=C/COC=O	InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
HMDB35157	Geranyl acetate	CC(C)=CCC\C(C)=C/COC(C)=O	InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
HMDB35154	(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C\CO	InChI=1S/C25H48O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h17,19,21-23,26H,7-16,18,20H2,1-6H3/b24-17+,25-19+
HMDB35155	beta-Geraniol	CC(C)=CCC\C(C)=C\CO	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
HMDB35152	Digeranyl	CC(C)=CCC\C(C)=C/CC\C=C(/C)CCC=C(C)C	InChI=1S/C20H34/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h11-14H,7-10,15-16H2,1-6H3/b19-13-,20-14+
HMDB35153	Isodigeranyl	CC(C)=CCC\C(C)=C\CC(C)(CCC=C(C)C)C=C	InChI=1S/C20H34/c1-8-20(7,15-10-12-18(4)5)16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3/b19-14+
HMDB35150	2'-Apo-beta-carotenal	C\C(\C=C\C=C(/C)\C=C/C=C(/C)\C=C/C=O)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C37H48O/c1-30(18-11-20-32(3)21-12-22-33(4)24-15-29-38)16-9-10-17-31(2)19-13-23-34(5)26-27-36-35(6)25-14-28-37(36,7)8/h9-13,15-24,26-27,29H,14,25,28H2,1-8H3/b10-9-,18-11+,19-13+,21-12-,24-15-,27-26+,30-16+,31-17+,32-20+,33-22-,34-23-
HMDB35151	delta6-Dehydroferruginol	CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C=C2	InChI=1S/C20H28O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h7-8,11-13,18,21H,6,9-10H2,1-5H3
HMDB49571	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,31-32,34,56H,4-6,8,11,13-15,17,22,24,26,29-30,33,35-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-
HMDB35158	1,2-Epoxy-p-menth-8-ene	CC(=C)C1CCC2(C)OC2C1	InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3
HMDB35159	Paullinic acid	CCCCCC\C=C/CCCCCCCCCCCC(O)=O	InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
HMDB46028	TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,39,42,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,42-39-
HMDB48836	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,34,37,43,46,58H,4-16,18-19,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,37-34-,46-43-
HMDB58009	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,29,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58008	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,29,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB41411	3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol	COC1=CC2=C(OC(C)(C)CC2O)C=C1	InChI=1S/C12H16O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6,10,13H,7H2,1-3H3
HMDB46029	TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,39,42,60H,4-15,17-18,20-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,42-39-
HMDB58005	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB48831	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19-21,23-26,28,31,37,40,52H,4-15,17-18,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-,40-37-
HMDB58007	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,28-29,32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB36495	Zinc acetate	[Zn++].CC([O-])=O.CC([O-])=O	InChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
HMDB36492	Borax	O.O.O.O.O.O.O.O.[Na+].[Na+].OB1O[B]2(O)OB(O)O[B](O)(O1)O2	InChI=1S/B4H4O9.2Na.8H2O/c5-1-9-3(7)11-2(6)12-4(8,10-1)13-3;;;;;;;;;;/h5-8H;;;8*1H2/q;2*+1;;;;;;;;
HMDB02714	Methane	C	InChI=1S/CH4/h1H4
HMDB58003	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB36491	Di-2-propenyl sulfide	C=CCSCC=C	InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
HMDB34403	Barogenin	CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3
HMDB34402	Physalin I	COC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C1CC2O	InChI=1S/C29H34O11/c1-23-11-18-25(3)29-19(23)20(32)28(40-29,37-12-15(23)21(33)38-18)14-10-17(31)27(36-4)8-5-6-16(30)24(27,2)13(14)7-9-26(29,35)22(34)39-25/h5-6,13-15,17-19,31,35H,7-12H2,1-4H3
HMDB34401	Cyclostenol	CC(C)CCCC(C)C1CCC2(C)C3CC(O)C4CC(O)CCC44CC34CCC12C	InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)21-10-11-26(5)24-16-23(30)22-15-20(29)9-12-27(22)17-28(24,27)14-13-25(21,26)4/h18-24,29-30H,6-17H2,1-5H3
HMDB34400	Withaperuvin F	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC=C2C3CC4OC5CC(=O)C(C)(C3CCC12C)C4(O)C5O	InChI=1S/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3
HMDB34407	Peposterol	CCC(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)=C(C)C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20,22-23,25-27,30H,7-10,12-18H2,1-6H3
HMDB34406	5alpha-Androst-16-en-3-one	CC12CCC3C(CCC4CC(=O)CCC34C)C1CC=C2	InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3
HMDB34405	w-O-beta-D-Glucopyranosylaloeemodin	OCC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-6-13-17(26)19(28)20(29)21(31-13)30-7-8-4-10-15(12(24)5-8)18(27)14-9(16(10)25)2-1-3-11(14)23/h1-5,13,17,19-24,26,28-29H,6-7H2
HMDB34404	1,8-Dihydroxy-3-hydroxymethylanthraquinone, 8CI; 1,8-Di-O-b-D-glucopyranoside	OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	InChI=1S/C27H30O15/c28-6-9-4-11-17(13(5-9)40-27-25(38)23(36)20(33)15(8-30)42-27)21(34)16-10(18(11)31)2-1-3-12(16)39-26-24(37)22(35)19(32)14(7-29)41-26/h1-5,14-15,19-20,22-30,32-33,35-38H,6-8H2
HMDB02712	1,5-Anhydrosorbitol	OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
HMDB34409	Rhababerone	CC1=CC2=C(C=C1O)C(=O)C1=C(C(O)=CC=C1O)C2=O	InChI=1S/C15H10O5/c1-6-4-7-8(5-11(6)18)15(20)13-10(17)3-2-9(16)12(13)14(7)19/h2-5,16-18H,1H3
HMDB34408	alpha-Tocopherolquinone	CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O	InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3
HMDB09807	PI(18:0/16:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC	InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h8,10,14,16,35,38-43,46-50H,3-7,9,11-13,15,17-34H2,1-2H3,(H,51,52)/b10-8-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09806	PI(18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,35,38-43,46-50H,3-13,15,17-34H2,1-2H3,(H,51,52)/b16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09805	PI(18:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H83O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09804	PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,39,42-47,50-54H,3-7,9,12,15,19,22-38H2,1-2H3,(H,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09803	PI(16:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h8,10,14,16,35,38-43,46-50H,3-7,9,11-13,15,17-34H2,1-2H3,(H,51,52)/b10-8-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB02710	Prostaglandin J2	CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O	InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
HMDB09801	PI(16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,35,38-43,46-50H,3-13,15,19-34H2,1-2H3,(H,51,52)/b16-14-,18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09800	PI(16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,35,38-43,46-50H,3-12,17-34H2,1-2H3,(H,51,52)/b15-13-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09809	PI(18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09808	PI(18:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB46022	TG(20:0/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,61H,4-15,17-18,20-24,26-27,29-60H2,1-3H3/b19-16-,28-25-
HMDB46023	TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,28-25-,35-32-,44-41-
HMDB15334	Nadolol	CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2	InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
HMDB15335	Mitoxantrone	OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)C=C1	InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
HMDB15336	Flumazenil	CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1	InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
HMDB15337	Lomustine	ClCCN(N=O)C(=O)NC1CCCCC1	InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
HMDB15330	Tubocurarine	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
HMDB15331	Bromocriptine	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C	InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
HMDB15332	Rifapentine	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(CC1)C1CCCC1)=C2O	InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1
HMDB15333	Levetiracetam	CC[C@@H](N1CCCC1=O)C(N)=O	InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1
HMDB46027	TG(20:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,37,40,58H,4-15,17-18,20,22-23,26,28-29,31,33-36,38-39,41-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,40-37-
HMDB15338	Ridogrel	OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F	InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
HMDB15339	Sparfloxacin	C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O	InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
HMDB49629	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,36,39,45,48,60H,4-7,9-10,12-15,18,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,39-36-,48-45-
HMDB49628	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-7,9-10,12-15,18,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB50599	TG(20:1(11Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33-34,36,59H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,35,37-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-30-,36-34-
HMDB50598	TG(20:1(11Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-32,37,40,57H,4-8,10-11,13-17,19,22,24,26,30,33-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,40-37-
HMDB50597	TG(20:1(11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-32,57H,4-8,10-11,13-17,19,22,24,26,30,33-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-
HMDB50596	TG(20:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-35,39,42,48,51,61H,4-15,17-18,20,22-23,27,31,33,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,42-39-,51-48-
HMDB50595	TG(20:1(11Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-35,39,42,61H,4-15,17-18,20,22-23,27,31,33,36-38,40-41,43-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,42-39-
HMDB37172	Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran	CC(=C)C1CCC(C)(O1)C=C	InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3
HMDB37173	Di-2-thienyl disulfide	S(SC1=CC=CS1)C1=CC=CS1	InChI=1S/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H
HMDB37170	3-Methylene-2-octanone	CCCCCC(=C)C(C)=O	InChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h2,4-7H2,1,3H3
HMDB37171	alpha-Citronellol	CC(CCO)CCCC(C)=C	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3
HMDB37176	2-Ethyl-2,5-dihydro-4,5-dimethylthiazole	CCC1SC(C)C(C)=N1	InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3
HMDB37177	1-(2,4,5-Trihydroxyphenyl)-1-butanone	CCCC(=O)C1=C(O)C=C(O)C(O)=C1	InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3
HMDB37174	p-Mentha-2,4(8)-dien-9,3-olide	CC1CCC2=C(C)C(=O)OC2=C1	InChI=1S/C10H12O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5-6H,3-4H2,1-2H3
HMDB37175	4-Isopropyl-3-cyclohexene-1-carboxylic acid	CC(C)C1=CCC(CC1)C(O)=O	InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,7,9H,4-6H2,1-2H3,(H,11,12)
HMDB50593	TG(20:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33-34,36,42,45,59H,4-15,17-18,20,22-23,27,31-32,35,37-41,43-44,46-58H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-30-,36-34-,45-42-
HMDB37178	5-Methoxy-2-methylthiazole	COC1=CN=C(C)S1	InChI=1S/C5H7NOS/c1-4-6-3-5(7-2)8-4/h3H,1-2H3
HMDB37179	1-Hydroxy-3-nonanone, 9CI; Ac	CCCCCCC(=O)CCOC(C)=O	InChI=1S/C11H20O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h3-9H2,1-2H3
HMDB50592	TG(20:1(11Z)/18:2(9Z,12Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33-34,36,59H,4-15,17-18,20,22-23,27,31-32,35,37-58H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-30-,36-34-
HMDB47247	TG(24:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h21,24,26,33,58H,4-20,22-23,25,27-32,34-57H2,1-3H3/b24-21-,33-26-
HMDB49625	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30,32,35-36,39,41,44,56H,4-6,8-9,11-15,18,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB49624	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,32-33,36,42,45,57H,4-6,8-9,11-15,17-18,22,26-27,30-31,34-35,37-41,43-44,46-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,36-33-,45-42-
HMDB44909	TG(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,35,37,43,46,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,37-35-,46-43-
HMDB44908	TG(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,35,37,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-34,36,38-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,37-35-
HMDB10634	PG(18:1(9Z)/18:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/b19-17-,20-18-/t39-,40+/m0/s1
HMDB44901	TG(18:0/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,56H,4-15,17-18,20,22-23,26,28-55H2,1-3H3/b19-16-,24-21-,27-25-
HMDB44900	TG(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,38,41,54H,4-15,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,41-38-
HMDB44903	TG(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,35,37,43,46,56H,4-15,17-18,20,22-23,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,37-35-,46-43-
HMDB10635	PG(18:1(9Z)/18:2(9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,39-40,43-44H,3-11,13,15-16,21-38H2,1-2H3,(H,47,48)/b14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB44905	TG(18:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,32,35,52H,4-6,8-9,11-15,17-18,20,22-23,26,28-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,35-32-
HMDB44904	TG(18:0/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,52H,4-6,8-9,11-15,17-18,20,22-23,26,28-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-
HMDB44907	TG(18:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,38,41,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,41-38-
HMDB44906	TG(18:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-
HMDB10638	PG(18:1(9Z)/20:3(5Z,8Z,11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,41-42,45-46H,3-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB10639	PG(18:1(9Z)/20:3(8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,41-42,45-46H,3-10,12,14-16,20,23,25-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,21-18-,24-22-/t41-,42+/m0/s1
HMDB45058	TG(18:0/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,36,61H,4-19,21-22,24,26-27,30-35,37-60H2,1-3H3/b23-20-,28-25-,36-29-
HMDB45059	TG(18:0/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,34,40,43,60H,4-16,18-19,21-24,27,29-33,35-39,41-42,44-59H2,1-3H3/b20-17-,28-25-,34-26-,43-40-
HMDB45054	TG(18:0/24:1(15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-
HMDB45055	TG(18:0/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,37,40,46,49,62H,4-24,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b28-25-,29-26-,40-37-,49-46-
HMDB45056	TG(18:0/24:1(15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-
HMDB45057	TG(18:0/24:1(15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-
HMDB45050	TG(18:0/24:1(15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,24,26,56H,4-14,16-17,19-23,25,27-55H2,1-3H3/b18-15-,26-24-
HMDB45051	TG(18:0/24:1(15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-
HMDB45052	TG(18:0/24:1(15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20,23,25,28,60H,4-19,21-22,24,26-27,29-59H2,1-3H3/b23-20-,28-25-
HMDB45053	TG(18:0/24:1(15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25-26,28,34,60H,4-24,27,29-33,35-59H2,1-3H3/b28-25-,34-26-
HMDB29678	Hibiscitrin	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3O)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O14/c22-4-10-14(29)16(31)17(32)21(33-10)35-20-15(30)11-6(23)3-9(26)13(28)19(11)34-18(20)5-1-7(24)12(27)8(25)2-5/h1-3,10,14,16-17,21-29,31-32H,4H2
HMDB29679	1,8-Dihydroxy-3-hydroxymethylanthraquinone, 8CI; 8-O-b-D-Glucopyranoside	OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2O)C3=O)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2
HMDB29676	Diosmetin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
HMDB29677	Zapotinin	COC1=CC=CC(OC)=C1C1=CC(=O)C2=C(O1)C=CC(OC)=C2O	InChI=1S/C18H16O6/c1-21-11-5-4-6-12(22-2)17(11)15-9-10(19)16-13(24-15)7-8-14(23-3)18(16)20/h4-9,20H,1-3H3
HMDB29674	2-Chloro-1,3-dimethoxy-5-methylbenzene	COC1=CC(C)=CC(OC)=C1Cl	InChI=1S/C9H11ClO2/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5H,1-3H3
HMDB29675	2,6-Di-tert-butyl-1,4-benzoquinone	CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C	InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
HMDB29672	1,3-Dimethoxybenzene	COC1=CC(OC)=CC=C1	InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
HMDB29673	2,6-Dimethoxy-1,4-benzoquinone	COC1=CC(=O)C=C(OC)C1=O	InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
HMDB29670	Epoxyeremopetasinorol	CC1C(O)CCC2CC3(OC3C12C)C(C)=O	InChI=1S/C13H20O3/c1-7-10(15)5-4-9-6-13(8(2)14)11(16-13)12(7,9)3/h7,9-11,15H,4-6H2,1-3H3
HMDB29671	1,4-Dimethoxybenzene	COC1=CC=C(OC)C=C1	InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
HMDB47244	TG(24:0/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h21,24,61H,4-20,22-23,25-60H2,1-3H3/b24-21-
HMDB54507	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,37,42-43,45-46,60H,4-7,9-10,12-15,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB29449	(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid	CC(O)C(C)C(N)C(O)=O	InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)
HMDB29448	DL-Ornithino-L-alanine	NC(CCCNCC(N)C(O)=O)C(O)=O	InChI=1S/C8H17N3O4/c9-5(7(12)13)2-1-3-11-4-6(10)8(14)15/h5-6,11H,1-4,9-10H2,(H,12,13)(H,14,15)
HMDB47243	TG(24:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,36,41,44,50,53,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,44-41-,53-50-
HMDB47128	TG(24:0/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-
HMDB47242	TG(24:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,36,41,44,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35,37-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,36-34-,44-41-
HMDB47129	TG(24:0/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h27,38,64H,4-26,28-37,39-63H2,1-3H3/b38-27-
HMDB50822	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,34,37,43,46,64H,4-7,9-10,12-15,18,21-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB29098	Tyrosyl-Alanine	CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)
HMDB29099	Tyrosyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C15H23N5O4/c16-11(2-1-7-19-15(17)18)13(22)20-12(14(23)24)8-9-3-5-10(21)6-4-9/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)
HMDB47241	TG(24:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,37,39,45,48,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-37-,48-45-
HMDB48169	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-30,32,38,41,53H,4-14,17,21-22,25,28,31,33-37,39-40,42-52H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-27-,32-30-,41-38-
HMDB42439	TG(14:0/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-33,39,42,54H,4-15,17-18,20-23,28-29,34-38,40-41,43-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB42438	TG(14:0/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,30,32,38,41,53H,4-13,15-16,18-22,27-29,31,33-37,39-40,42-52H2,1-3H3/b17-14-,25-23-,26-24-,32-30-,41-38-
HMDB29092	Tryptophyl-Serine	NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C14H17N3O4/c15-10(7-18)13(19)17-12(14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)
HMDB29093	Tryptophyl-Threonine	CC(O)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C15H19N3O4/c1-8(19)13(16)14(20)18-12(15(21)22)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7-8,12-13,17,19H,6,16H2,1H3,(H,18,20)(H,21,22)
HMDB29090	Tryptophyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C20H21N3O3/c21-16(10-13-6-2-1-3-7-13)19(24)23-18(20(25)26)11-14-12-22-17-9-5-4-8-15(14)17/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)
HMDB29091	Tryptophyl-Proline	OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCCN1	InChI=1S/C16H19N3O3/c20-15(13-6-3-7-17-13)19-14(16(21)22)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17-18H,3,6-8H2,(H,19,20)(H,21,22)
HMDB29096	Tryptophyl-Valine	CC(C)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)
HMDB29097	Tryptophyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C16H20N4O4/c17-11(5-6-14(18)21)15(22)20-13(16(23)24)7-9-8-19-12-4-2-1-3-10(9)12/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)
HMDB29094	Tryptophyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)
HMDB29095	Tryptophyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C20H21N3O4/c21-16(9-12-5-7-14(24)8-6-12)19(25)23-18(20(26)27)10-13-11-22-17-4-2-1-3-15(13)17/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)
HMDB13592	1,3-Dichloropropene	ClC\C=C\Cl	InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
HMDB12009	Ganglioside GT1c (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C94H162N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(110)52(98-64(115)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-132-86-76(124)74(122)79(62(44-104)135-86)138-88-77(125)84(80(63(45-105)136-88)139-85-51(35-47(3)106)78(70(118)59(41-101)133-85)137-87-75(123)73(121)69(117)58(40-100)134-87)145-94(91(130)131)38-56(113)67(97-50(6)109)83(144-94)72(120)61(43-103)141-93(90(128)129)37-55(112)66(96-49(5)108)82(143-93)71(119)60(42-102)140-92(89(126)127)36-54(111)65(95-48(4)107)81(142-92)68(116)57(114)39-99/h31,33,51-63,65-88,99-105,110-114,116-125H,7-30,32,34-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,115)(H,126,127)(H,128,129)(H,130,131)/b33-31+/t51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83?,84-,85+,86-,87+,88+,92-,93-,94+/m1/s1
HMDB13590	PGP(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,43-44,47H,3-4,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB13591	PGP(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H74O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,43-44,47H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB46507	TG(22:0/18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h27,38,64H,4-26,28-37,39-63H2,1-3H3/b38-27-
HMDB46506	TG(22:0/18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-
HMDB46505	TG(22:0/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-
HMDB29446	()-Alanine	CC(N)C(O)=O	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
HMDB46503	TG(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,39,42,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,42-39-
HMDB46502	TG(22:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,37,43,46,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-35-,46-43-
HMDB46501	TG(22:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,37,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36,38-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-35-
HMDB46500	TG(22:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,32,38,41,58H,4-7,9-10,12-16,18-19,22-23,25,27-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,32-26-,41-38-
HMDB47240	TG(24:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,37,39,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-37-
HMDB48164	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-29,31,37,40,52H,4-14,17,20-23,27,30,32-36,38-39,41-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,31-29-,40-37-
HMDB56017	DG(16:0/0:0/18:1n9)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-
HMDB48054	TG(14:1(9Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,33,57H,4-14,16-17,19,21-22,25,28-32,34-56H2,1-3H3/b18-15-,23-20-,26-24-,33-27-
HMDB53387	TG(20:2n6/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20-22,24-26,29,55H,4-7,9-10,12,14-15,18-19,23,27-28,30-54H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,29-26-
HMDB53386	TG(20:2n6/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,31-32,37,40,46,49,59H,4-13,15,18,20,22,27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,40-37-,49-46-
HMDB13045	Prostaglandin PGE2 glyceryl ester	CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1C\C=C/CCCC(=O)OC(CO)CO	InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19-,20-,22-/m0/s1
HMDB13046	Psychosine sulfate	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@H]1O[C@@H](COS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O	InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20-,21?,22+,23-,24-/m0/s1
HMDB13040	PGH3	CC\C=C/C[C@@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h3-4,6-7,12-13,15-19,21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+,19-/m1/s1
HMDB13041	Prostaglandin H1	CCCCC[C@H](O)\C=C\[C@@H]1[C@@H]2C[C@@H](OO2)[C@H]1CCCCCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16-,17-,18+,19-/m0/s1
HMDB13043	Prostaglandin PGE2 1-glyceryl ester	CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC[C@H](O)CO	InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18+,19+,20+,22-/m0/s1
HMDB53384	TG(20:2n6/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,59H,4-13,15,18,20,22,27,29-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-
HMDB10584	PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,41-42,45-46H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1
HMDB10585	PG(16:1(9Z)/16:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C38H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,35-36,39-40H,3-12,14,16-34H2,1-2H3,(H,43,44)/b15-13-/t35-,36+/m0/s1
HMDB10586	PG(16:1(9Z)/16:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C38H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39-40H,3-12,17-34H2,1-2H3,(H,43,44)/b15-13-,16-14-/t35-,36+/m0/s1
HMDB10587	PG(16:1(9Z)/18:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,37-38,41-42H,3-13,15,17-36H2,1-2H3,(H,45,46)/b16-14-/t37-,38+/m0/s1
HMDB10580	PG(16:0/20:4(5Z,8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,39-40,43-44H,3-10,12,14-16,19,21,23-25,27,29-38H2,1-2H3,(H,47,48)/b13-11-,18-17-,22-20-,28-26-/t39-,40+/m0/s1
HMDB10581	PG(16:0/22:4(7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41-42,45-46H,3-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
HMDB10582	PG(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,41-42,45-46H,3-10,12,14-16,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b13-11-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1
HMDB10583	PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,41-42,45-46H,3-4,6,8-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b7-5-,13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
HMDB10588	PG(16:1(9Z)/18:1(11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,37-38,41-42H,3-12,17-36H2,1-2H3,(H,45,46)/b15-13-,16-14-/t37-,38+/m0/s1
HMDB10589	PG(16:1(9Z)/18:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38+/m0/s1
HMDB50821	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-
HMDB39248	2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol	COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(O)C=C1	InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3
HMDB39249	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; (R*,S*)-form, 3,4-Methylene, 3',5'-di-Me ether, benzoyl	COC1=CC(CC=C)=CC(OC)=C1OC(C)C(OC(=O)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1	InChI=1S/C28H28O7/c1-5-9-19-14-24(30-3)27(25(15-19)31-4)34-18(2)26(35-28(29)20-10-7-6-8-11-20)21-12-13-22-23(16-21)33-17-32-22/h5-8,10-16,18,26H,1,9,17H2,2-4H3
HMDB53389	TG(20:2n6/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,33,35,57H,4-6,8-9,11-13,15,18,20,22,27,29-32,34,36-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,35-33-
HMDB39242	Lupeoside	CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C12	InChI=1S/C41H68O10/c1-21(2)22-11-14-38(5)17-18-40(7)23(29(22)38)9-10-27-39(6)15-13-28(37(3,4)26(39)12-16-41(27,40)8)50-36-33(47)31(45)34(25(19-42)49-36)51-35-32(46)30(44)24(43)20-48-35/h22-36,42-47H,1,9-20H2,2-8H3
HMDB39243	Butyrospermone	CC(CCC=C(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C	InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25H,9,11,13-19H2,1-8H3
HMDB39240	Gibberellin A88	CC12C3C(C(O)=O)C45CC(CC=C4C3(CCC1O)OC2=O)C(=C)C5	InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h4,10,12-14,20H,1,3,5-8H2,2H3,(H,21,22)
HMDB39241	Pisumic acid	C\C(\C=C\C1(O)C(C)=CC(O)CC1(C)CO)=C/C(O)=O	InChI=1S/C15H22O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,12,16-17,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+
HMDB39246	6'-Malonyltrifolirhizin	OC1C(COC(=O)CC(O)=O)OC(OC2=CC=C3C4OC5=C(C=C6OCOC6=C5)C4COC3=C2)C(O)C1O	InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)
HMDB39247	2',4',5,7-Tetrahydroxyisoflavone; 7-O-(6-O-Malonyl-b-D-glucopyranoside)	OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=C(O)C=C(O)C=C2)C1O	InChI=1S/C24H22O14/c25-9-1-2-11(13(26)3-9)12-7-35-15-5-10(4-14(27)19(15)20(12)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29)
HMDB39244	1-O-Galloylpedunculagin	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2
HMDB39245	Castanin	OC1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(O)C(O)=C(O)C=C1C(=O)OC2C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C(=C2)C(=O)OCC1O	InChI=1S/C34H24O22/c35-9-2-6-12(21(42)19(9)40)5-1-8(18(39)26(47)17(5)38)31(49)53-4-11(37)28(54-32(6)50)30-29-25(46)16-15(34(52)55-29)14(23(44)27(48)24(16)45)13-7(33(51)56-30)3-10(36)20(41)22(13)43/h1-3,11,25,28-30,35-48H,4H2
HMDB44044	TG(16:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,34,52H,4-14,17,20-23,26,29-30,32-33,35-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,34-31-
HMDB44045	TG(16:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,34,39,42,52H,4-14,17,20-23,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,34-31-,42-39-
HMDB44046	TG(16:0/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,48H,4-6,8-9,11-14,17,20-23,26-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-
HMDB47009	TG(24:0/14:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h25,32,56H,4-24,26-31,33-55H2,1-3H3/b32-25-
HMDB44047	TG(16:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,30,32,48H,4-6,8-9,11-14,17,20-23,26-29,31,33-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,32-30-
HMDB12779	4-Hydroxyestrone sulfate	C[C@@]12CCC3C(CCC4=C3C=CC(OS(O)(=O)=O)=C4O)C1CCC2=O	InChI=1S/C18H22O6S/c1-18-9-8-11-10-4-6-15(24-25(21,22)23)17(20)13(10)3-2-12(11)14(18)5-7-16(18)19/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3,(H,21,22,23)/t11?,12?,14?,18-/m1/s1
HMDB09851	PI(18:2(9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,39,42-47,50-54H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,55,56)/b14-12-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB44042	TG(16:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,34,37,50H,4-14,17,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-,37-34-
HMDB44043	TG(16:0/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,52H,4-14,17,20-23,26-51H2,1-3H3/b18-15-,19-16-,25-24-
HMDB47008	TG(24:0/14:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB14805	Histamine Phosphate	OP(O)(O)=O.OP(O)(O)=O.NCCC1=CN=CN1	InChI=1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4)
HMDB14804	Nafarelin	CC(C)CC(NC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC=N1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NCC(N)=O	InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)
HMDB00521	5Z-Tetradecenoic acid	CCCCCCCC\C=C/CCCC(O)=O	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9-
HMDB00520	5a-Cholestane-3a,7a,12a,25-tetrol	[H][C@@]12CCC([C@H](C)CCCC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17-,18-,19?,20+,21+,22-,23+,24+,26+,27-/m1/s1
HMDB14801	Flumethasone Pivalate	[H]O[C@@]1([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]2(O[H])C(=O)C([H])([H])OC(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]2([H])C([H])([H])[C@]([H])(F)C3=C([H])C(=O)C([H])=C([H])[C@]3(C([H])([H])[H])[C@@]12F	InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1
HMDB14800	Trimethobenzamide	COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1	InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)
HMDB14803	Nilutamide	CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F	InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
HMDB14802	Sulfametopyrazine	COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1	InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
HMDB00529	5-Dodecenoic acid	CCCCCC\C=C/CCCC(O)=O	InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-
HMDB00528	4,5-Dihydroorotic acid	OC(=O)C1CC(=O)NC(=O)N1	InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
HMDB14809	Cefixime	[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
HMDB14808	Pirenzepine	CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=C2N=CC=C3)CC1	InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
HMDB44048	TG(16:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,50H,4-6,8-9,11-14,17,20-23,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-
HMDB44049	TG(16:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,34,37,50H,4-6,8-9,11-14,17,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-,37-34-
HMDB11358	PE(P-16:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,35,38,42H,3-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1
HMDB11359	PE(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,30,32,35,38,42H,3-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,32-30-,38-35-/t42-/m1/s1
HMDB11356	PE(P-16:0/22:1(13Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1
HMDB11357	PE(P-16:0/22:2(13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,38,42H,3-10,12,14-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,38-35-/t42-/m1/s1
HMDB11354	PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1
HMDB11355	PE(P-16:0/22:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h35,38,42H,3-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b38-35-/t42-/m1/s1
HMDB11352	PE(P-16:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,33,36,40H,3-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1
HMDB11353	PE(P-16:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,36-33-/t40-/m1/s1
HMDB11350	PE(P-16:0/20:3(5Z,8Z,11Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,21-22,26,28,33,36,40H,3-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,22-21-,28-26-,36-33-/t40-/m1/s1
HMDB11351	PE(P-16:0/20:3(8Z,11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,33,36,40H,3-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,36-33-/t40-/m1/s1
HMDB47125	TG(24:0/22:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h70H,4-69H2,1-3H3
HMDB49840	TG(18:1(9Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h27,35,61H,4-26,28-34,36-60H2,1-3H3/b35-27-
HMDB48952	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,32,36,38-39,41,54H,4-7,9-10,12-15,18,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB48953	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,38,41,56H,4-7,9-10,12-15,18,22-23,28-30,32-37,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-,41-38-
HMDB48950	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20-22,24-26,28,35,38,53H,4-7,9-10,12,14-15,18-19,23,27,29-34,36-37,39-52H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,28-26-,38-35-
HMDB48951	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,32,36,39,54H,4-7,9-10,12-15,18,22-23,28,31,33-35,37-38,40-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-
HMDB48956	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,34,37,52H,4-6,9,12-15,18,22-23,29-33,35-36,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-
HMDB48957	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,33-34,36-37,52H,4-6,9,12-15,18,22-23,29-32,35,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-
HMDB48954	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,34,37-38,41,56H,4-7,9-10,12-15,18,22-23,28,32-33,35-36,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-
HMDB48955	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,34,37-38,41,43,46,56H,4-7,9-10,12-15,18,22-23,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-
HMDB48618	TG(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h19-24,27,29,53H,4-18,25-26,28,30-52H2,1-3H3/b22-19-,23-20-,24-21-,29-27-
HMDB48958	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,32,36,39,54H,4-6,9,12-15,18,22-23,28,31,33-35,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-
HMDB48959	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,32,36,38-39,41,54H,4-6,9,12-15,18,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB11978	Ganglioside GT1b (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C92H158N4O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-51(108)50(96-62(114)32-30-28-26-24-21-18-16-14-12-10-8-2)44-130-84-72(121)71(120)76(60(42-102)133-84)136-86-74(123)82(143-92(89(128)129)36-54(111)65(95-48(6)107)80(141-92)70(119)59(41-101)138-90(87(124)125)34-52(109)63(93-46(4)105)78(139-90)66(115)55(112)37-97)77(61(43-103)134-86)137-83-49(33-45(3)104)75(68(117)57(39-99)131-83)135-85-73(122)81(69(118)58(40-100)132-85)142-91(88(126)127)35-53(110)64(94-47(5)106)79(140-91)67(116)56(113)38-98/h29,31,49-61,63-86,97-103,108-113,115-123H,7-28,30,32-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,114)(H,124,125)(H,126,127)(H,128,129)/b31-29+/t49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81+,82-,83+,84-,85+,86+,90-,91+,92+/m1/s1
HMDB11979	Ganglioside GT1b (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C94H162N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(110)52(98-64(116)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-132-86-74(123)73(122)78(62(44-104)135-86)138-88-76(125)84(145-94(91(130)131)38-56(113)67(97-50(6)109)82(143-94)72(121)61(43-103)140-92(89(126)127)36-54(111)65(95-48(4)107)80(141-92)68(117)57(114)39-99)79(63(45-105)136-88)139-85-51(35-47(3)106)77(70(119)59(41-101)133-85)137-87-75(124)83(71(120)60(42-102)134-87)144-93(90(128)129)37-55(112)66(96-49(5)108)81(142-93)69(118)58(115)40-100/h31,33,51-63,65-88,99-105,110-115,117-125H,7-30,32,34-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,116)(H,126,127)(H,128,129)(H,130,131)/b33-31+/t51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78-,79+,80?,81?,82?,83+,84-,85+,86-,87+,88+,92-,93+,94+/m1/s1
HMDB11972	Ganglioside GT1b (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C102H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(124)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-82(131)81(130)86(70(52-112)143-94)146-96-84(133)92(153-102(99(138)139)46-64(121)75(105-58(6)117)90(151-102)80(129)69(51-111)148-100(97(134)135)44-62(119)73(103-56(4)115)88(149-100)76(125)65(122)47-107)87(71(53-113)144-96)147-93-59(43-55(3)114)85(78(127)67(49-109)141-93)145-95-83(132)91(79(128)68(50-110)142-95)152-101(98(136)137)45-63(120)74(104-57(5)116)89(150-101)77(126)66(123)48-108/h59-71,73-96,107-113,118-123,125-133H,7-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91+,92-,93+,94-,95+,96+,100-,101+,102+/m1/s1
HMDB11973	Ganglioside GT1b (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C102H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(124)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-82(131)81(130)86(70(52-112)143-94)146-96-84(133)92(153-102(99(138)139)46-64(121)75(105-58(6)117)90(151-102)80(129)69(51-111)148-100(97(134)135)44-62(119)73(103-56(4)115)88(149-100)76(125)65(122)47-107)87(71(53-113)144-96)147-93-59(43-55(3)114)85(78(127)67(49-109)141-93)145-95-83(132)91(79(128)68(50-110)142-95)152-101(98(136)137)45-63(120)74(104-57(5)116)89(150-101)77(126)66(123)48-108/h21-22,59-71,73-96,107-113,118-123,125-133H,7-20,23-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/b22-21-/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91+,92-,93+,94-,95+,96+,100-,101+,102+/m1/s1
HMDB11970	Ganglioside GT1b (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C100H174N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(122)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-80(129)79(128)84(68(50-110)141-92)144-94-82(131)90(151-100(97(136)137)44-62(119)73(103-56(6)115)88(149-100)78(127)67(49-109)146-98(95(132)133)42-60(117)71(101-54(4)113)86(147-98)74(123)63(120)45-105)85(69(51-111)142-94)145-91-57(41-53(3)112)83(76(125)65(47-107)139-91)143-93-81(130)89(77(126)66(48-108)140-93)150-99(96(134)135)43-61(118)72(102-55(5)114)87(148-99)75(124)64(121)46-106/h21-22,57-69,71-94,105-111,116-121,123-131H,7-20,23-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/b22-21-/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89+,90-,91+,92-,93+,94+,98-,99+,100+/m1/s1
HMDB11971	Ganglioside GT1b (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C101H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(123)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-81(130)80(129)85(69(51-111)142-93)145-95-83(132)91(152-101(98(137)138)45-63(120)74(104-57(6)116)89(150-101)79(128)68(50-110)147-99(96(133)134)43-61(118)72(102-55(4)114)87(148-99)75(124)64(121)46-106)86(70(52-112)143-95)146-92-58(42-54(3)113)84(77(126)66(48-108)140-92)144-94-82(131)90(78(127)67(49-109)141-94)151-100(97(135)136)44-62(119)73(103-56(5)115)88(149-100)76(125)65(122)47-107/h58-70,72-95,106-112,117-122,124-132H,7-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,123)(H,133,134)(H,135,136)(H,137,138)/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90+,91-,92+,93-,94+,95+,99-,100+,101+/m1/s1
HMDB11976	Ganglioside GT1b (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C104H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h21-22,61-73,75-98,109-115,120-125,127-135H,7-20,23-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/b22-21-/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1
HMDB11977	Ganglioside GT1b (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C90H154N4O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-49(106)48(94-60(112)30-28-26-24-21-16-14-12-10-8-2)42-128-82-70(119)69(118)74(58(40-100)131-82)134-84-72(121)80(141-90(87(126)127)34-52(109)63(93-46(6)105)78(139-90)68(117)57(39-99)136-88(85(122)123)32-50(107)61(91-44(4)103)76(137-88)64(113)53(110)35-95)75(59(41-101)132-84)135-81-47(31-43(3)102)73(66(115)55(37-97)129-81)133-83-71(120)79(67(116)56(38-98)130-83)140-89(86(124)125)33-51(108)62(92-45(5)104)77(138-89)65(114)54(111)36-96/h27,29,47-59,61-84,95-101,106-111,113-121H,7-26,28,30-42H2,1-6H3,(H,91,103)(H,92,104)(H,93,105)(H,94,112)(H,122,123)(H,124,125)(H,126,127)/b29-27+/t47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67+,68-,69-,70-,71-,72-,73-,74-,75+,76?,77?,78?,79+,80-,81+,82-,83+,84+,88-,89+,90+/m1/s1
HMDB11974	Ganglioside GT1b (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C103H182N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(125)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-83(132)82(131)87(71(53-113)144-95)147-97-85(134)93(154-103(100(139)140)47-65(122)76(106-59(6)118)91(152-103)81(130)70(52-112)149-101(98(135)136)45-63(120)74(104-57(4)116)89(150-101)77(126)66(123)48-108)88(72(54-114)145-97)148-94-60(44-56(3)115)86(79(128)68(50-110)142-94)146-96-84(133)92(80(129)69(51-111)143-96)153-102(99(137)138)46-64(121)75(105-58(5)117)90(151-102)78(127)67(124)49-109/h60-72,74-97,108-114,119-124,126-134H,7-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,125)(H,135,136)(H,137,138)(H,139,140)/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92+,93-,94+,95-,96+,97+,101-,102+,103+/m1/s1
HMDB11975	Ganglioside GT1b (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C104H184N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h61-73,75-98,109-115,120-125,127-135H,7-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1
HMDB10001	PIP(20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H86O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h12,14,17-19,21,39,42-47,50-53H,3-11,13,15-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b14-12-,19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10000	PIP(20:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h17-19,21,39,42-47,50-53H,3-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10003	PIP(20:2(11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,37,40-45,48-51H,3-10,12,14-16,19-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB10002	PIP(20:2(11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17,19,39,42-47,50-53H,3-10,12,14-16,18,20-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10005	PIP(20:3(5Z,8Z,11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-18,20,22,25,27,37,40-45,48-51H,3-16,19,21,23-24,26,28-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b18-17-,22-20-,27-25-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB10004	PIP(20:2(11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11-14,17-19,21,39,42-47,50-53H,3-10,15-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10007	PIP(20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h14,16-17,19,22-23,27,29,39,42-47,50-53H,3-13,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b16-14-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10006	PIP(20:3(5Z,8Z,11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C50H92O18P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-43(52)64-40-42(66-44(53)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-63-37-41(51)38-65-70(61,62)68-50-47(56)45(54)46(55)49(48(50)57)67-69(58,59)60/h17,19,22-23,27,29,41-42,45-51,54-57H,3-16,18,20-21,24-26,28,30-40H2,1-2H3,(H,61,62)(H2,58,59,60)/b19-17-,23-22-,29-27-/t41-,42+,45?,46?,47?,48?,49-,50+/m1/s1
HMDB10009	PIP(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h12,14,17-19,21-23,27,29,39,42-47,50-53H,3-11,13,15-16,20,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b14-12-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10008	PIP(20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h17-19,21-23,27,29,39,42-47,50-53H,3-16,20,24-26,28,30-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB50829	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,64H,4-6,9,12-15,18,21-24,31-32,35,38-41,44,47-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-
HMDB50828	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-36,39,41,44-45,48,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-
HMDB39167	2-O-p-Coumaroyl-D-glucose	OCC(O)C(O)C(O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C=O.OCC(O)C1OC(O)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O.OCC1OC(O)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/3C15H18O8/c16-7-10(18)13-12(20)14(15(21)23-13)22-11(19)6-3-8-1-4-9(17)5-2-8;16-7-10-12(19)13(20)14(15(21)22-10)23-11(18)6-3-8-1-4-9(17)5-2-8;16-7-11(19)14(21)15(22)12(8-17)23-13(20)6-3-9-1-4-10(18)5-2-9/h1-6,10,12-18,20-21H,7H2;1-6,10,12-17,19-21H,7H2;1-6,8,11-12,14-16,18-19,21-22H,7H2/b3*6-3+
HMDB39166	Cajaquinone	COC1=CC(O)=CC2=C1C(=O)C1=C(C=C(C)C(O)=C1)C2=O	InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)18)16(20)14-11(15(9)19)4-8(17)5-13(14)21-2/h3-6,17-18H,1-2H3
HMDB59082	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,42,46-49,51-54,58-61,63-66,70,85-87,92H,5-8,10-12,14-20,29-32,41,43-45,50,55-57,62,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,46-42-,51-47-,52-48-,53-49-,58-54-,63-59-,64-60-,65-61-,70-66-/t85?,86-,87-/m1/s1
HMDB59038	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,64-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-/t85?,86-,87-/m1/s1
HMDB56739	CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,53,57-58,62,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51-52,54-56,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-,62-58-/t77?,78-,79-/m1/s1
HMDB31316	4-(Methylthio)-2-butanone	CSCCC(C)=O	InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3
HMDB07898	PC(14:0/P-18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h19-20,32,35,39H,6-18,21-31,33-34,36-38H2,1-5H3/b20-19-,35-32-
HMDB07899	PC(14:1(9Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C36H70NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h12,14,34H,6-11,13,15-33H2,1-5H3/b14-12-/t34-/m1/s1
HMDB07896	PC(14:0/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-
HMDB07897	PC(14:0/P-18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h16,18,32,35,39H,6-15,17,19-31,33-34,36-38H2,1-5H3/b18-16-,35-32-
HMDB07894	PC(14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h19-20,44H,6-18,21-43H2,1-5H3/b20-19-/t44-/m1/s1
HMDB07895	PC(14:0/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39(3,4)5)35-44-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h30,33,37H,6-29,31-32,34-36H2,1-5H3/b33-30-
HMDB07892	PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1
HMDB07893	PC(14:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
HMDB07890	PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1
HMDB07891	PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,42H,6-7,9,11-13,15,17-18,21,24,26,28-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
HMDB51068	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-30,36,39,45,48,62H,4-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51069	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-30,38,41,47,50,64H,4-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,50-47-
HMDB56287	DG(18:2n6/0:0/22:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,24,42,45H,3-10,12,15,18,21-23,25-41H2,1-2H3/b13-11-,16-14-,19-17-,24-20-
HMDB56286	DG(18:2n6/0:0/20:4n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,22-23,25,29,31,40,43H,3-10,12,15,18,21,24,26-28,30,32-39H2,1-2H3/b13-11-,16-14-,19-17-,22-20-,25-23-,31-29-
HMDB56281	DG(24:1n9/0:0/22:6n3)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-,39-37-
HMDB56280	DG(24:1n9/0:0/22:5n3)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,47,50H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-
HMDB56283	DG(18:2n6/0:0/18:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18-21,24,26,38,41H,3-11,16-17,22-23,25,27-37H2,1-2H3/b14-12-,15-13-,20-18-,21-19-,26-24-
HMDB56282	DG(18:2n6/0:0/18:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-39(42)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,19-22,39,42H,3-12,17-18,23-38H2,1-2H3/b15-13-,16-14-,21-19-,22-20-
HMDB51060	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,30-32,34,40,43,56H,4-7,9-10,12-16,18-19,21-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,34-32-,43-40-
HMDB51061	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,30-32,34,36,39-40,43,56H,4-7,9-10,12-16,18-19,21-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB51062	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-36,42,45,58H,4-6,8-9,11-15,17-18,20-24,30-31,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-
HMDB51063	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-36,41-42,44-45,58H,4-6,8-9,11-15,17-18,20-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB51064	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-35,37-38,41,43,46,60H,4-6,8-9,11-15,17-18,20-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB51065	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB51066	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,27-28,31-32,34,40,43,57H,4-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b28-25-,31-27-,34-32-,43-40-
HMDB51067	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,34-35,37-38,43-44,46-47,60H,4-24,31-33,36,39-42,45,48-59H2,1-3H3/b28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB55958	DG(14:0/0:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3
HMDB55959	DG(14:0/0:0/14:1n5)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C31H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,29,32H,3-16,18,20-28H2,1-2H3/b19-17+
HMDB55950	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB37419	Maysin	CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3
HMDB55952	DG(14:0/0:0/14:0)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC	InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3
HMDB55953	DG(14:0/0:0/15:0)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC	InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-30(33)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3
HMDB55954	DG(14:0/0:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC	InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3
HMDB55955	DG(14:0/0:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC	InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
HMDB55956	DG(14:0/0:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC	InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
HMDB37418	Mollupentin; 7-Me ether, 2''-O-a-L-rhamnopyranoside	COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OCC(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1=CC=C(O)C=C1	InChI=1S/C27H30O13/c1-10-20(32)22(34)23(35)27(38-10)40-26-21(33)15(31)9-37-25(26)19-17(36-2)8-14(30)18-13(29)7-16(39-24(18)19)11-3-5-12(28)6-4-11/h3-8,10,15,20-23,25-28,30-35H,9H2,1-2H3
HMDB57888	CL(18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57889	CL(18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58640	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-37,40-44,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,38-39,45-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57880	CL(18:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,28-30,32,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57881	CL(18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,46,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-44-/t75?,76-,77-/m1/s1
HMDB57882	CL(18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1
HMDB57883	CL(18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,45,48,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,48-45-/t77?,78-,79-/m1/s1
HMDB57884	CL(18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57885	CL(18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB57886	CL(18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB57887	CL(18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB46612	TG(22:0/24:1(15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,66H,4-24,26,29,31-65H2,1-3H3/b28-25-,30-27-
HMDB48612	TG(16:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19-24,52H,4-18,25-51H2,1-3H3/b22-19-,23-20-,24-21-
HMDB51398	TG(20:3(5Z,8Z,11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-15,17-18,20-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB51399	TG(20:3(5Z,8Z,11Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,35,38,44,47,61H,4-15,17-18,20-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b19-16-,28-25-,29-26-,38-35-,47-44-
HMDB51396	TG(20:3(5Z,8Z,11Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,33,36,42,45,58H,4-13,15-16,18-22,24,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b17-14-,26-23-,28-25-,36-33-,45-42-
HMDB51397	TG(20:3(5Z,8Z,11Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,43,46,59H,4-15,17-18,20-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB51394	TG(20:3(5Z,8Z,11Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32-33,36,42,45,58H,4-19,21-22,24,26-27,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b23-20-,28-25-,32-29-,36-33-,45-42-
HMDB51395	TG(20:3(5Z,8Z,11Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,35,37,40-41,44,57H,4-17,19-20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB51392	TG(20:3(5Z,8Z,11Z)/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,35,38,44,47,61H,4-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b28-25-,29-26-,38-35-,47-44-
HMDB51393	TG(20:3(5Z,8Z,11Z)/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,37,40,46,49,63H,4-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b28-25-,29-26-,40-37-,49-46-
HMDB51390	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB51391	TG(20:3(5Z,8Z,11Z)/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33-34,36-37,42-43,45-46,59H,4-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB37413	3,6-Diglucopyranosyl-5,7-dihydroxy-4'-methoxyflavone	COC1=CC=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C=C2O1	InChI=1S/C28H32O15/c1-40-10-4-2-9(3-5-10)26-17(28-25(39)23(37)19(33)14(8-30)43-28)21(35)16-12(41-26)6-11(31)15(20(16)34)27-24(38)22(36)18(32)13(7-29)42-27/h2-6,13-14,18-19,22-25,27-34,36-39H,7-8H2,1H3
HMDB55488	TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB55489	TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-33,37-42,46,49,58H,4-7,10,13-15,22-24,29,34-36,43-45,47-48,50-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-,49-46-
HMDB55486	TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-45,62H,4-6,8,11,13-15,22-24,30-31,37-39,46-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-
HMDB55487	TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-45,49,52,62H,4-6,8,11,13-15,22-24,30-31,37-39,46-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-
HMDB55484	TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,38-40,42-43,60H,4-7,10,13-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-
HMDB38699	Peltatol C	CC(C)=CCC\C(C)=C\CCC(C)(C=C)C1=CC=C(OC2=CC(=CC(O)=C2O)C(C)(CC\C=C(\C)CCC=C(C)C)C=C)C(O)=C1	InChI=1S/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-38(36(43)27-34)46-39-29-35(28-37(44)40(39)45)42(10,12-2)26-16-22-33(8)20-14-18-31(5)6/h11-12,17-18,21-24,27-29,43-45H,1-2,13-16,19-20,25-26H2,3-10H3/b32-21+,33-22-
HMDB55482	TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,33,39,42,59H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-,42-39-
HMDB55483	TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-33,37-42,58H,4-7,10,13-15,22-24,29,34-36,43-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-
HMDB55480	TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,40,42-43,45,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-
HMDB55481	TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,40,42-43,45,49,52,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB07238	DG(18:1(9Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25,43,46H,3-17,19-24,26-42H2,1-2H3/b25-18-/t43-/m0/s1
HMDB07239	DG(18:1(9Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17-19,25,43,46H,3-16,20-24,26-42H2,1-2H3/b19-17-,25-18-/t43-/m0/s1
HMDB07232	DG(18:1(9Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17-19,23,41,44H,3-16,20-22,24-40H2,1-2H3/b19-17-,23-18-/t41-/m0/s1
HMDB07233	DG(18:1(9Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,41,44H,3-10,12,14-16,20-22,24-40H2,1-2H3/b13-11-,19-17-,23-18-/t41-/m0/s1
HMDB07230	DG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,39,42H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB07231	DG(18:1(9Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,41,44H,3-17,19-22,24-40H2,1-2H3/b23-18-/t41-/m0/s1
HMDB07236	DG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,41,44H,3-4,6,8-10,12,14-16,20,24-25,27,29-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1
HMDB07237	DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1
HMDB07234	DG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,41,44H,3-10,12,14-16,20,24-25,27,29-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1
HMDB07235	DG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,41,44H,3-10,12,14-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1
HMDB45827	TG(20:0/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,40,43,60H,4-17,19-20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b21-18-,28-25-,34-27-,43-40-
HMDB45826	TG(20:0/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,35,61H,4-20,22-23,26-27,29,31-34,36-60H2,1-3H3/b24-21-,28-25-,35-30-
HMDB45829	TG(20:0/22:1(13Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,36,39,62H,4-16,18-19,21-24,27,30-35,37-38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,39-36-
HMDB45828	TG(20:0/22:1(13Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,61H,4-14,16-17,19-23,26,29-60H2,1-3H3/b18-15-,27-24-,28-25-
HMDB48617	TG(16:1(9Z)/18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,58H,4-19,22,26,28-57H2,1-3H3/b23-20-,24-21-,27-25-
HMDB53509	TG(20:2n6/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,37,39-40,42,48,51,61H,4-6,8-9,11-14,21-23,30-31,33,35-36,38,41,43-47,49-50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,51-48-
HMDB53508	TG(20:2n6/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,37,39-40,42,61H,4-6,8-9,11-14,21-23,30-31,33,35-36,38,41,43-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-
HMDB56759	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,27,29-31,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,32-28-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1
HMDB56758	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27-32,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB53501	TG(20:2n6/20:3n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,37,40,61H,4-14,21-23,30-36,38-39,41-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,40-37-
HMDB53500	TG(20:2n6/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34-35,37-38,43,46,59H,4-14,21-23,30-33,36,39-42,44-45,47-58H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB53503	TG(20:2n6/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,37,39-40,42,48,51,61H,4-14,21-23,30-31,33,35-36,38,41,43-47,49-50,52-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,51-48-
HMDB53502	TG(20:2n6/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,37,39-40,42,61H,4-14,21-23,30-31,33,35-36,38,41,43-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-
HMDB48616	TG(16:1(9Z)/18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,56H,4-19,22,26,28-55H2,1-3H3/b23-20-,24-21-,27-25-
HMDB53504	TG(20:2n6/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,36,57H,4-8,10-11,13,15,20,22,24,29-30,32,34-35,37-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-
HMDB53507	TG(20:2n6/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,34-35,37-38,43,46,59H,4-6,8-9,11-14,21-23,30-33,36,39-42,44-45,47-58H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB53506	TG(20:2n6/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,34-35,37-38,59H,4-6,8-9,11-14,21-23,30-33,36,39-58H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-
HMDB49178	TG(18:1(11Z)/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20,23,27,33,58H,4-19,21-22,24-26,28-32,34-57H2,1-3H3/b23-20-,33-27-
HMDB55228	TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,36,42,45,58H,4-6,8,11,13-15,17,20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-
HMDB55229	TG(18:3(9Z,12Z,15Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-
HMDB55220	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-32,34,56H,4-6,9,12-15,18,21-24,29,33,35-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-
HMDB55226	TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-31,36,39,56H,4-7,10,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-
HMDB55227	TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,36,58H,4-6,8,11,13-15,17,20,22-24,30-31,34-35,37-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-
HMDB55224	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,55H,4-7,9-10,12-16,18-19,21-25,28,31-54H2,1-3H3/b11-8-,20-17-,29-26-,30-27-
HMDB55225	TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-31,56H,4-7,10,13-16,19,22-24,29,32-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-
HMDB55642	TG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,32,35-37,39-41,44-45,48,62H,4-7,10,13-15,22-24,31,33-34,38,42-43,46-47,49-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-
HMDB55837	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,41-42,44-45,64H,4-6,9,12-15,18,21-24,31-32,35,38-40,43,46-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-
HMDB50824	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-7,9-10,12-15,18,21-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-
HMDB47081	TG(24:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h26,34,60H,4-25,27-33,35-59H2,1-3H3/b34-26-
HMDB47080	TG(24:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20,23,60H,4-19,21-22,24-59H2,1-3H3/b23-20-
HMDB47085	TG(24:0/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-
HMDB55836	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,36,39,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-35,37-38,40-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,39-36-
HMDB47084	TG(24:0/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-
HMDB52476	TG(18:2(9Z,12Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,37,63H,4-15,17-18,20,22-23,26-27,29,31-36,38-62H2,1-3H3/b19-16-,24-21-,28-25-,37-30-
HMDB47087	TG(24:0/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,26,34,40,43,60H,4-16,18-19,21-25,27-33,35-39,41-42,44-59H2,1-3H3/b20-17-,34-26-,43-40-
HMDB52477	TG(18:2(9Z,12Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,33,35,37,41,44,63H,4-15,17-18,20,22-23,26-27,29,31-32,34,36,38-40,42-43,45-62H2,1-3H3/b19-16-,24-21-,28-25-,35-33-,37-30-,44-41-
HMDB47086	TG(24:0/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h20,23,29,36,61H,4-19,21-22,24-28,30-35,37-60H2,1-3H3/b23-20-,36-29-
HMDB52474	TG(18:2(9Z,12Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35-36,39,61H,4-16,18-19,22-23,25,27-28,31-34,37-38,40-60H2,1-3H3/b20-17-,24-21-,29-26-,35-30-,39-36-
HMDB32287	Ferrocyanide salts	N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N	InChI=1S/6CN.Fe/c6*1-2;/q;;;;;;-4
HMDB32286	Ferric ammonium citrate, brown	[NH4+].[Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O	InChI=1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;/p-2
HMDB32285	Fd&amp;c red no. 2--prohibited	[Na+].[Na+].[Na+].OC1=C(N=NC2=C3C=CC=CC3=C(C=C2)S([O-])(=O)=O)C2=CC=C(C=C2C=C1S([O-])(=O)=O)S([O-])(=O)=O	InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;;
HMDB32284	Fd&amp;c red no. 1--prohibited	[Na+].[Na+].CC1=CC(C)=C(C)C=C1\N=N\C1=C2C=CC(=CC2=CC(=C1O)S([O-])(=O)=O)S([O-])(=O)=O	InChI=1S/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b21-20+;;
HMDB32283	Fd&amp;c red no. 3	[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C([O-])=C(I)C=C12	InChI=1S/C20H8I4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
HMDB32282	Fd&amp;c green no. 2--prohibited	[Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O	InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
HMDB32281	Fd&amp;c green no. 1--prohibited	[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O	InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1
HMDB32280	Fd&amp;c blue no. 1, aluminum lake	CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O)C1=CC=CC=C1S(O)(=O)=O	InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)
HMDB01304	QH2	<smiles/>	InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3/b13-10+
HMDB52472	TG(18:2(9Z,12Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,33-34,39,42,59H,4-17,19,22,24-26,28,30-32,35-38,40-41,43-58H2,1-3H3/b21-18-,23-20-,33-27-,34-29-,42-39-
HMDB01301	1-Pyrroline-5-carboxylic acid	OC(=O)C1CCC=N1	InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
HMDB32289	Furfuryl propyl disulfide	CCCSSCC1=CC=CO1	InChI=1S/C8H12OS2/c1-2-6-10-11-7-8-4-3-5-9-8/h3-5H,2,6-7H2,1H3
HMDB32288	Furfuryl 2-methyl-3-furyl disulfide	CC1=C(SSCC2=CC=CO2)C=CO1	InChI=1S/C10H10O2S2/c1-8-10(4-6-11-8)14-13-7-9-3-2-5-12-9/h2-6H,7H2,1H3
HMDB57570	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,29,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57571	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB57572	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57573	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h26-27,30-31,33,35,71-73,78H,5-25,28-29,32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,31-27-,35-33-/t71?,72-,73-/m1/s1
HMDB57574	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32-33,36,73-75,80H,5-25,27,29,31,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-,36-33-/t73?,74-,75-/m1/s1
HMDB52470	TG(18:2(9Z,12Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,29,32,58H,4-19,21-22,24-28,30-31,33-57H2,1-3H3/b23-20-,32-29-
HMDB45218	TG(18:0/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,62H,4-16,18-19,21-24,27,30-61H2,1-3H3/b20-17-,28-25-,29-26-
HMDB45219	TG(18:0/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-
HMDB45216	TG(18:0/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,60H,4-15,17-18,20-24,27,30-59H2,1-3H3/b19-16-,28-25-,29-26-
HMDB45217	TG(18:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,35,38,44,47,60H,4-15,17-18,20-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,38-35-,47-44-
HMDB45214	TG(18:0/22:2(13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,58H,4-15,17-18,21-22,24,26-27,29-57H2,1-3H3/b19-16-,23-20-,28-25-
HMDB45215	TG(18:0/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,32,58H,4-15,17-18,20-24,27,29-31,33-57H2,1-3H3/b19-16-,28-25-,32-26-
HMDB45212	TG(18:0/22:2(13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,54H,4-14,17,20-23,25,27-53H2,1-3H3/b18-15-,19-16-,26-24-
HMDB45213	TG(18:0/22:2(13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,56H,4-15,17-18,20,22-23,26,28-55H2,1-3H3/b19-16-,24-21-,27-25-
HMDB45210	TG(18:0/22:2(13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,62H,4-16,18-19,21-25,27-28,30-61H2,1-3H3/b20-17-,29-26-
HMDB45211	TG(18:0/22:2(13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-
HMDB09681	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,28,30,40H,3-4,6,8-10,12,14-16,19,22,24,26-27,29,31-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-,30-28-/t40-/m1/s1
HMDB09680	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,27,29,39H,3-4,6,8-9,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1
HMDB09683	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,29,31,41H,3-4,6,8-10,12,15,19,22-23,26-28,30,32-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t41-/m1/s1
HMDB09682	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,29,31,41H,3-4,6,8-10,12,14-16,19,22-23,26-28,30,32-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,25-24-,31-29-/t41-/m1/s1
HMDB09685	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,25,27,31,33,43H,3-4,6,8-10,12,15,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1
HMDB09684	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1
HMDB09687	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,31,33,43H,3-4,6,8-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1
HMDB09686	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,31,33,43H,3-4,6,8-10,12,14-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1
HMDB09689	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,31,33,43H,3-4,9-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1
HMDB09688	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27-28,30-31,33,43H,3-4,6,8-10,15-16,20,24,26,29,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t43-/m1/s1
HMDB43328	TG(15:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,34-36,38,42,45,57H,4-15,17-18,20-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-
HMDB43329	TG(15:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,34-36,38,42,44-45,47,57H,4-15,17-18,20-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-
HMDB52478	TG(18:2(9Z,12Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,33,35,37,41,44,50,53,63H,4-15,17-18,20,22-23,26-27,29,31-32,34,36,38-40,42-43,45-49,51-52,54-62H2,1-3H3/b19-16-,24-21-,28-25-,35-33-,37-30-,44-41-,53-50-
HMDB52479	TG(18:2(9Z,12Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,33-34,59H,4-8,10-11,13-17,19,22,24-26,28,30-32,35-58H2,1-3H3/b12-9-,21-18-,23-20-,33-27-,34-29-
HMDB40592	Allyl benzoate	C=CCOC(=O)C1=CC=CC=C1	InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2
HMDB40593	2-Propenyl octanoate	CCCCCCCC(=O)OCC=C	InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
HMDB40590	Benzyl methyl disulfide	CSSCC1=CC=CC=C1	InChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
HMDB40591	Allyl butyrate	CCCC(=O)OCC=C	InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
HMDB35884	Melledonol	CC1=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(CO)C23O)C(O)=CC(O)=C1	InChI=1S/C23H30O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,15,17-18,24-27,29-30H,8-10H2,1-4H3
HMDB35885	Ganoderic acid L	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O	InChI=1S/C30H46O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-22,32,34-35,38H,8-14H2,1-7H3,(H,36,37)
HMDB40594	()-Furaneol	CC1OC(C)=C(O)C1=O	InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
HMDB40595	Allyl cyclohexylacetate	C=CCOC(=O)CC1CCCCC1	InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2
HMDB35888	Tyromycic acid	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C30H44O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+
HMDB35889	Germacrone 4,5-epoxide	CC(C)=C1CC2OC2(C)CC\C=C(C)/CC1=O	InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6-
HMDB40598	()-11-Methylhexadecanoic acid	CCCCCC(C)CCCCCCCCCC(O)=O	InChI=1S/C17H34O2/c1-3-4-10-13-16(2)14-11-8-6-5-7-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
HMDB40599	()-Fenarimol	OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl	InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
HMDB51837	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,37,40,61H,4-7,9-10,12-14,16,19,21-23,30-36,38-39,41-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,40-37-
HMDB51836	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,39-40,43,60H,4-7,9-10,12-16,19,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-
HMDB51835	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35,37,40,61H,4-7,9-10,12-16,18-19,22-23,27,31-34,36,38-39,41-60H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-30-,40-37-
HMDB51834	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,42,45,66H,4-8,10-11,13-17,19-20,22-24,31-41,43-44,46-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,45-42-
HMDB59316	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)84-104-91(96)78-74-70-66-62-58-54-50-48-44-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,43-44,47-48,51-58,63-70,87-89,94H,5-20,29-32,41-42,45-46,49-50,59-62,71-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,55-51-,56-52-,57-53-,58-54-,67-63-,68-64-,69-65-,70-66-/t88-,89-/m1/s1
HMDB55832	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,39-40,42-43,48,51,62H,4-6,9,12-15,18,22-23,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-
HMDB58972	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-45-41-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,38,40-41,45-46,48,51,55-56,60,77-79,84H,5-20,23-24,27-32,37,39,42-44,47,49-50,52-54,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,48-46-,55-51-,60-56-/t77?,78-,79-/m1/s1
HMDB59317	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59313	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,69-71,73,88-90,95H,5-9,11-13,15-20,24,29-31,36,41-43,51-53,56,60,62-65,68,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB55831	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,39-40,42-43,62H,4-6,9,12-15,18,22-23,27,30-31,36-38,41,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-
HMDB51923	TG(24:1(15Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,60H,4-16,18-19,21-23,28-59H2,1-3H3/b20-17-,26-24-,27-25-
HMDB35776	Prolycopene	CC(C)=CCC\C(C)=C\C=C/C(/C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C\C=C(/C)CCC=C(C)C	InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,32-18-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-
HMDB35777	Betulafolienetriol	CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC21C	InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3
HMDB35774	Armillyl orsellinate	CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)=C23)C(O)=CC(O)=C1	InChI=1S/C23H30O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,13,15,17,20,24-27H,7-10H2,1-4H3
HMDB35775	11-Deoxoglycyrrhetinic acid	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1
HMDB35772	Nomilin	CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C	InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3
HMDB35770	5-Isopropyl-2-methylphenol	CC(C)C1=CC=C(C)C(O)=C1	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
HMDB35771	Nomilinic acid	CC(=O)OC(CC(O)=O)C1(C)C(CC(=O)C2(C)C1CCC1(C)C(OC(=O)C3OC213)C1=COC=C1)C(C)(C)O	InChI=1S/C28H36O10/c1-14(29)36-19(12-20(31)32)26(5)16-7-9-25(4)21(15-8-10-35-13-15)37-23(33)22-28(25,38-22)27(16,6)18(30)11-17(26)24(2,3)34/h8,10,13,16-17,19,21-22,34H,7,9,11-12H2,1-6H3,(H,31,32)
HMDB02656	Prostaglandin A1	CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
HMDB02655	Isorhamnetin	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
HMDB35778	Ginsenoside Rd	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3
HMDB35779	Armillane	CC1=CC(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)C23O)=C(O)C=C1O	InChI=1S/C23H32O7/c1-11-5-12(17(26)6-16(11)25)20(28)30-18-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(18,22)29/h5-6,13-15,18-19,24-27,29H,7-10H2,1-4H3
HMDB46741	TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,37,40,46,49,61H,4-16,18-19,22-23,25,27-28,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b20-17-,24-21-,29-26-,35-30-,40-37-,49-46-
HMDB46740	TG(22:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,42,45,51,54,66H,4-17,19-20,22-24,26,29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b21-18-,28-25-,30-27-,45-42-,54-51-
HMDB46743	TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,37,40,46,49,61H,4-14,16,19,21-23,25,28,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,40-37-,49-46-
HMDB46742	TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,39-40,43,45,48,60H,4-16,19,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB46745	TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-16,19,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46744	TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,38-39,41,47,50,62H,4-16,19,22-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB46747	TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,40-41,43-44,49,52,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB46746	TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,40,43,49,52,64H,4-15,17,20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,43-40-,52-49-
HMDB46749	TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,39,45,48,60H,4-8,10-11,13-16,19,22-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,48-45-
HMDB46748	TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB51926	TG(24:1(15Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,32,56H,4-7,9-10,12-16,18-19,21-23,27-31,33-55H2,1-3H3/b11-8-,20-17-,26-24-,32-25-
HMDB31250	Phenylmethyl 2-methylpropanoate	CC(C)C(=O)OCC1=CC=CC=C1	InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
HMDB31253	Dihydro-2(3H)-thiophenone	O=C1CCCS1	InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
HMDB31252	3-Iodopropanoic acid	OC(=O)CCI	InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
HMDB31255	Fluorocitric acid	OC(=O)CC(O)(C(F)C(O)=O)C(O)=O	InChI=1S/C6H7FO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)
HMDB31254	Margrapine A	COC1=C(C(O)C2OC2(C)C)C2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC)=C(O)C=C1	InChI=1S/C21H23NO7/c1-21(2)20(29-21)18(26)14-12(27-4)8-11(24)13-16(14)22(3)15-9(17(13)25)6-7-10(23)19(15)28-5/h6-8,18,20,23-24,26H,1-5H3
HMDB31257	Dimethyl fumarate	COC(=O)\C=C/C(=O)OC	InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
HMDB31256	4-Hydroxy-2H-pyran-3-carboxaldehyde	OC1=C(COC=C1)C=O	InChI=1S/C6H6O3/c7-3-5-4-9-2-1-6(5)8/h1-3,8H,4H2
HMDB31259	Neurine	[OH-].C[N+](C)(C)C=C	InChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1
HMDB31258	Lenthionine	C1SSCSSS1	InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2
HMDB44677	TG(18:0/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h24,26,29,31,36,39,52H,4-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b26-24-,31-29-,39-36-
HMDB43500	TG(15:0/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,39,42,55H,4-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB44672	TG(18:0/14:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,17,46H,4-13,15-16,18-45H2,1-3H3/b17-14-
HMDB44671	TG(18:0/14:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB43501	TG(15:0/20:3n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,34,36,57H,4-15,18,21-24,29-33,35,37-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-34-
HMDB43502	TG(15:0/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34-36,38,57H,4-15,18,21-24,29,31,33,37,39-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-
HMDB44679	TG(18:0/14:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-
HMDB44678	TG(18:0/14:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-
HMDB43503	TG(15:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34-36,38,44,47,57H,4-15,18,21-24,29,31,33,37,39-43,45-46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,47-44-
HMDB43504	TG(15:0/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,53H,4-7,9-10,12-15,18,21-24,28,31,33-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-
HMDB43505	TG(15:0/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,37,53H,4-7,9-10,12-15,18,21-24,28,31,33,35-36,38-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-
HMDB41245	7-Hydroxyheptaphylline	CC(C)=CCC1=C(O)C(C=O)=CC2=C1NC1=CC(O)=CC=C21	InChI=1S/C18H17NO3/c1-10(2)3-5-14-17-15(7-11(9-20)18(14)22)13-6-4-12(21)8-16(13)19-17/h3-4,6-9,19,21-22H,5H2,1-2H3
HMDB41244	12-Oleanene-3,22,24-triol; (3b,22b)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;4)-b-D-galactopyranosyl-(1-&gt;4)-b-D-glucuronopyranoside]	CC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC65C)C4(C)CO)OC3C(O)=O)OC2CO)C(O)C(O)C1O	InChI=1S/C48H78O18/c1-21-29(52)30(53)33(56)40(61-21)64-36-24(19-49)62-41(34(57)31(36)54)65-37-32(55)35(58)42(66-38(37)39(59)60)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)
HMDB41247	Alkaloid A6	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(=C)CCl)C=C2O	InChI=1S/C19H16ClNO3/c1-10(9-20)15-7-12-16(24-15)8-14(22)17-18(12)21(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,22H,1,7,9H2,2H3
HMDB41246	Secoisotetrandrine	COC1=CC=C(CC2N(C)CCC3=C2C(OC2=CC4=C(CCN(C)C4=O)C=C2OC)=C(OC)C(OC)=C3)C=C1OC1=CC=C(C=O)C=C1	InChI=1S/C38H40N2O8/c1-39-15-14-26-20-34(45-5)36(46-6)37(48-33-21-28-25(19-31(33)44-4)13-16-40(2)38(28)42)35(26)29(39)17-24-9-12-30(43-3)32(18-24)47-27-10-7-23(22-41)8-11-27/h7-12,18-22,29H,13-17H2,1-6H3
HMDB41241	Kudzusaponin SA2	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C47H76O19/c1-42(2)16-21-20-8-9-25-44(4)12-11-26(63-41-35(31(55)30(54)34(64-41)38(59)60)65-40-33(57)29(53)28(52)23(17-48)62-40)45(5,19-49)24(44)10-13-47(25,7)46(20,6)15-14-43(21,3)37(36(42)58)66-39-32(56)27(51)22(50)18-61-39/h8,21-37,39-41,48-58H,9-19H2,1-7H3,(H,59,60)
HMDB41240	Kudzusaponin SA1	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O	InChI=1S/C42H68O15/c1-37(2)16-20-19-8-9-23-39(4)12-11-24(40(5,18-44)22(39)10-13-42(23,7)41(19,6)15-14-38(20,3)33(51)32(37)50)55-36-31(28(48)27(47)30(56-36)34(52)53)57-35-29(49)26(46)25(45)21(17-43)54-35/h8,20-33,35-36,43-51H,9-18H2,1-7H3,(H,52,53)
HMDB41243	1,3,6-Trihydroxy-5-methoxyxanthone	COC1=C(O)C=CC2=C1OC1=C(C(O)=CC(O)=C1)C2=O	InChI=1S/C14H10O6/c1-19-14-8(16)3-2-7-12(18)11-9(17)4-6(15)5-10(11)20-13(7)14/h2-5,15-17H,1H3
HMDB41242	Kudzusaponin SA3	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(OC6OCC(O)C(O)C6O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C53H86O23/c1-21-29(57)32(60)37(65)45(70-21)74-39-33(61)31(59)25(18-54)71-46(39)75-40-35(63)34(62)38(43(67)68)73-47(40)72-28-12-13-50(5)26(51(28,6)20-55)11-14-53(8)27(50)10-9-22-23-17-48(2,3)41(66)42(49(23,4)15-16-52(22,53)7)76-44-36(64)30(58)24(56)19-69-44/h9,21,23-42,44-47,54-66H,10-20H2,1-8H3,(H,67,68)
HMDB43507	TG(15:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,39,42,55H,4-6,8-9,11-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB41249	6-Hydroxyshogaol	CCCCC(O)\C=C\C(=O)CCC1=CC=C(O)C(OC)=C1	InChI=1S/C17H24O4/c1-3-4-5-14(18)9-10-15(19)8-6-13-7-11-16(20)17(12-13)21-2/h7,9-12,14,18,20H,3-6,8H2,1-2H3/b10-9+
HMDB41248	N-[[3-Hydroxy-2-(2-pentenyl)cyclopentyl]acetyl]isoleucine	CC\C=C\CC1C(O)CCC1CC(=O)NC(C(C)CC)C(O)=O	InChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-15,17,20H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6+
HMDB46299	TG(22:0/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-54H2,1-3H3/b11-8-,20-17-,31-26-
HMDB46298	TG(22:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,37,40,45,48,59H,4-15,17-18,20-24,26,28-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b19-16-,27-25-,33-31-,40-37-,48-45-
HMDB47166	TG(24:0/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,40,66H,4-8,10-11,13-17,19-20,22-26,28-39,41-65H2,1-3H3/b12-9-,21-18-,40-27-
HMDB47167	TG(24:0/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,40,46,49,66H,4-8,10-11,13-17,19-20,22-26,28-39,41-45,47-48,50-65H2,1-3H3/b12-9-,21-18-,40-27-,49-46-
HMDB47164	TG(24:0/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,47,50,70H,4-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b21-18-,30-27-,41-38-,50-47-
HMDB47165	TG(24:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,47,50,56,59,70H,4-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b21-18-,30-27-,41-38-,50-47-,59-56-
HMDB44589	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,41,44,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,44-41-
HMDB44588	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,39,42,60H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,42-39-
HMDB47160	TG(24:0/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C70H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,67H,4-14,16-17,19-23,25-26,28-66H2,1-3H3/b18-15-,27-24-
HMDB47161	TG(24:0/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,42,45,68H,4-17,19-20,22-26,28-29,31-41,43-44,46-67H2,1-3H3/b21-18-,30-27-,45-42-
HMDB44585	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,33,36,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,36-33-
HMDB44584	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,39,42,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-,42-39-
HMDB44587	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,40,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,40-37-
HMDB44586	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,35,38,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,38-35-
HMDB44581	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-6,9,12-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB44580	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,41,44,56H,4-6,9,12-15,18,21-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB44583	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,9,12-15,18,21-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB44582	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34,36-37,39,43,46,58H,4-6,9,12-15,18,21-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB42538	TG(14:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-31,33,36,55H,4-6,8-9,11-15,17-18,21-22,25,28,32,34-35,37-54H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-,31-27-,36-33-
HMDB42539	TG(14:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-31,33,36,42,45,55H,4-6,8-9,11-15,17-18,21-22,25,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-,31-27-,36-33-,45-42-
HMDB42536	TG(14:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-31,53H,4-6,8-9,11-15,17-18,21-22,25,28,32-52H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-27-,31-30-
HMDB42537	TG(14:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-31,37,40,53H,4-6,8-9,11-15,17-18,21-22,25,28,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-27-,31-30-,40-37-
HMDB42534	TG(14:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25-28,51H,4-7,9-10,12-16,18,21,23-24,29-50H2,1-3H3/b11-8-,20-17-,22-19-,27-25-,28-26-
HMDB42535	TG(14:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25-28,32,35,51H,4-7,9-10,12-16,18,21,23-24,29-31,33-34,36-50H2,1-3H3/b11-8-,20-17-,22-19-,27-25-,28-26-,35-32-
HMDB42532	TG(14:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-31,33,36,55H,4-15,17-18,21-22,25,28,32,34-35,37-54H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,31-27-,36-33-
HMDB42533	TG(14:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-31,33,36,42,45,55H,4-15,17-18,21-22,25,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,31-27-,36-33-,45-42-
HMDB42530	TG(14:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-31,37,40,53H,4-15,17-18,21-22,25,28,32-36,38-39,41-52H2,1-3H3/b19-16-,23-20-,26-24-,29-27-,31-30-,40-37-
HMDB42531	TG(14:0/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,31,55H,4-15,17-18,21-22,25,28-30,32-54H2,1-3H3/b19-16-,23-20-,26-24-,31-27-
HMDB39088	Sudachiin C	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC3OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C3O)C(OC)=C2O1	InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(34)44-10-18-21(35)23(37)24(38)29(46-18)47-28-26(41-3)22(36)20-15(33)8-16(45-25(20)27(28)42-4)13-5-6-14(32)17(7-13)40-2/h5-8,12,18,21,23-24,29,32,35-39H,9-11H2,1-4H3
HMDB39089	(9Z,7'Z,9'Z)-7,8-Dihydrolycopene	CC(C)=CCC\C(C)=C/CC\C(C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C\C=C(/C)\C=C\C=C(\C)CCC=C(C)C	InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15-,26-16+,31-17+,35-21+,36-22+,37-27-,38-28-,39-29+,40-30-
HMDB39084	3-O-Methylniveusin A	COC12CC(O)C(C)(CC(OC(=O)C(\C)=C/C)C3C(OC(=O)C3=C)\C=C1\CO)O2	InChI=1S/C21H28O8/c1-6-11(2)18(24)28-15-8-20(4)16(23)9-21(26-5,29-20)13(10-22)7-14-17(15)12(3)19(25)27-14/h6-7,14-17,22-23H,3,8-10H2,1-2,4-5H3/b11-6-,13-7-
HMDB39085	(S)-Boldine	COC1=CC2=C(CC3N(C)CCC4=CC(O)=C(OC)C2=C34)C=C1O	InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
HMDB39086	Hydroxysintaxanthin 5,6-epoxide	CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C	InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-31-29(6,7)21-28(33)22-30(31,8)34-31/h9-20,28,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+
HMDB39087	Sudachiin B	COC1=C(OC2OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1	InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(33)44-10-18-21(34)23(36)24(37)29(47-18)46-15-6-5-13(7-17(15)40-2)16-8-14(32)20-22(35)27(41-3)25(38)28(42-4)26(20)45-16/h5-8,12,18,21,23-24,29,34-39H,9-11H2,1-4H3
HMDB39080	Physalin N	CC12OC(=O)C3(O)CCC4C(C(O)C=C5CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3
HMDB39081	Physalin O	CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC11C2(C)OC(=O)C1(O)CCC1C3C(O)C=C2CC=CC(=O)C12C	InChI=1S/C28H32O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,12,14-15,17-19,29,34-35H,6,8-9,11H2,1-4H3
HMDB39082	Camelinin	CS(=O)CCCCCCCCCCN=C=S	InChI=1S/C12H23NOS2/c1-16(14)11-9-7-5-3-2-4-6-8-10-13-12-15/h2-11H2,1H3
HMDB39083	6''-O-Malonylwistin	COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=C(OC)C=C2C1=O	InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)
HMDB45987	TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,38,41,47,50,62H,4-15,17,20,22-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,41-38-,50-47-
HMDB45984	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,35,38,44,47,59H,4-14,16,19,21-23,25,28,30-34,36-37,39-43,45-46,48-58H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,38-35-,47-44-
HMDB45985	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,45,48,60H,4-15,17,20,22-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,48-45-
HMDB45982	TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,33,35,38,44,47,59H,4-16,18-19,22-23,25,27-28,31-32,34,36-37,39-43,45-46,48-58H2,1-3H3/b20-17-,24-21-,29-26-,33-30-,38-35-,47-44-
HMDB45983	TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,32,34,37-38,41,43,46,58H,4-16,19,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b20-17-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB45980	TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,47,50,62H,4-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b21-18-,28-25-,30-27-,41-38-,50-47-
HMDB45981	TG(20:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,64H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-
HMDB45988	TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB45989	TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB32501	Santalyl acetate	CC(=O)OCC(C)=CCCC1(C)C2CCC(C2)C1=C	InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6+
HMDB32502	Santalyl phenylacetate	CC(COC(=O)CC1=CC=CC=C1)=CCCC1(C)C2CCC(C2)C1=C	InChI=1S/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3/b17-8-
HMDB32503	Silica aerogel	COC1=CC=C(C=C1)C(=O)CSC1=NC(SCC(=O)C2=CC=C(C)C=C2)=NC(C)=C1	InChI=1S/C23H22N2O3S2/c1-15-4-6-17(7-5-15)21(27)14-30-23-24-16(2)12-22(25-23)29-13-20(26)18-8-10-19(28-3)11-9-18/h4-12H,13-14H2,1-3H3
HMDB38025	xi-p-Menth-3-en-1-ol	CC(C)C1=CCC(C)(O)CC1	InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3
HMDB38024	beta-Santalyl acetate	CC(=O)OC\C(C)=C/CCC1(C)C2CCC(C2)C1=C	InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6-
HMDB38027	beta-Ionyl acetate	CC(OC(C)=O)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+
HMDB38026	Dihydro-alpha-ionone	CC(=O)CC[C@H]1C(C)=CCCC1(C)C	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3/t12-/m0/s1
HMDB38021	2,3-Dihydroxy-12-ursen-28-oic acid; (2a,3a)-form, 3-(4-Hydroxy-3-methoxy-E-cinnamoyl)	COC1=CC(\C=C\C(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(CCC43C)C(O)=O)C2(C)C)=CC=C1O	InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-28(42)34(36(3,4)30(37)16-17-39(31,38)7)47-32(43)14-10-25-9-12-27(41)29(21-25)46-8/h9-12,14,21,23-24,28,30-31,33-34,41-42H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+
HMDB38020	Evobioside	CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3
HMDB38023	Spirost-5-en-3-ol; (3b,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;6)-b-D-glucopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;4)[a-L-rhamnopyranosyl-(1-&gt;2)]-b-D-glucopyranoside]	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C57H92O26/c1-21-9-14-57(73-19-21)22(2)34-30(83-57)16-29-27-8-7-25-15-26(10-12-55(25,5)28(27)11-13-56(29,34)6)76-54-49(82-51-43(68)38(63)35(60)23(3)74-51)46(71)48(32(18-59)78-54)81-52-45(70)41(66)47(24(4)75-52)80-53-44(69)40(65)37(62)33(79-53)20-72-50-42(67)39(64)36(61)31(17-58)77-50/h7,21-24,26-54,58-71H,8-20H2,1-6H3
HMDB38022	Spirost-5-en-3-ol; (3b,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-[b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;4)-[a-L-rhamnopyranosyl-(1-&gt;2)]-b-D-glucopyranoside]	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C63H102O31/c1-22-9-14-63(82-20-22)23(2)36-31(94-63)16-30-28-8-7-26-15-27(10-12-61(26,5)29(28)11-13-62(30,36)6)85-60-54(93-56-46(76)40(70)37(67)24(3)83-56)50(80)52(34(19-66)88-60)91-57-48(78)43(73)51(25(4)84-57)90-59-49(79)44(74)53(92-58-47(77)42(72)39(69)33(18-65)87-58)35(89-59)21-81-55-45(75)41(71)38(68)32(17-64)86-55/h7,22-25,27-60,64-80H,8-21H2,1-6H3
HMDB38029	Eriojaposide B	CC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C	InChI=1S/C25H40O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h6-8,12-13,15-24,27-32H,9-10H2,1-5H3/b7-6+
HMDB38028	Eriojaposide A	CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C	InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+
HMDB30616	Archangin	COC(C)(C)C1=CC2=C(O1)C=CC1=C2OC(=O)C=C1	InChI=1S/C15H14O4/c1-15(2,17-3)12-8-10-11(18-12)6-4-9-5-7-13(16)19-14(9)10/h4-8H,1-3H3
HMDB30617	Pratensein	COC1=C(O)C=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
HMDB30614	Orientin	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C1	InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2
HMDB30615	1,11-Triacontanediol	CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCO	InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30(32)28-25-22-19-16-17-20-23-26-29-31/h30-32H,2-29H2,1H3
HMDB30612	1,10-Nonacosanediol	CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCO	InChI=1S/C29H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29(31)27-24-21-18-16-19-22-25-28-30/h29-31H,2-28H2,1H3
HMDB30613	1,9-Octacosanediol	CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCO	InChI=1S/C28H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(30)26-23-20-17-18-21-24-27-29/h28-30H,2-27H2,1H3
HMDB30610	Desmethylxanthohumol	CC(C)=CCC1=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C=C1O	InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+
HMDB30611	5,8-Dihydroxy-3,3',4',7-tetramethoxyflavone	COC1=C(O)C2=C(C(O)=C1)C(=O)C(OC)=C(O2)C1=CC(OC)=C(OC)C=C1	InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-10(20)8-13(25-3)15(21)18(14)27-17/h5-8,20-21H,1-4H3
HMDB30618	Otobanone	CC1C(C)C(=O)C2=C(C1C1=CC=C3OCOC3=C1)C1=C(OCO1)C=C2	InChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3
HMDB30619	Ovalitenone	COC1=C2C=COC2=CC=C1C(=O)CC(=O)C1=CC=C2OCOC2=C1	InChI=1S/C19H14O6/c1-22-19-12(3-5-16-13(19)6-7-23-16)15(21)9-14(20)11-2-4-17-18(8-11)25-10-24-17/h2-8H,9-10H2,1H3
HMDB08651	PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,52H,6-14,16,18-19,24-27,29,31-33,35,37-51H2,1-5H3/b17-15-,22-20-,23-21-,30-28-,36-34-/t52-/m1/s1
HMDB08650	PC(22:4(7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,34,36,52H,6-14,16,18-20,22,24-27,29,31-33,35,37-51H2,1-5H3/b17-15-,23-21-,30-28-,36-34-/t52-/m1/s1
HMDB08653	PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,43-40-
HMDB08652	PC(22:4(7Z,10Z,13Z,16Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,38,41,45H,6-13,15,17-19,21,23,26,28,30-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,41-38-
HMDB08655	PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,40,43,47H,6-13,15,17-19,24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,43-40-
HMDB08654	PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,29,31,40,43,47H,6-13,15,18,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,31-29-,43-40-
HMDB08657	PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,30,32,42H,6-12,17-18,21,24,26,28-29,31,33-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-,32-30-/t42-/m1/s1
HMDB08656	PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,30,32,42H,6-13,15,17-18,21,24,26,28-29,31,33-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,32-30-/t42-/m1/s1
HMDB08659	PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27-28,32,34,44H,6-13,15,17-19,22,25-26,29-31,33,35-43H2,1-5H3/b16-14-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1
HMDB08658	PC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C45H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,31,33,43H,6-13,15,17-19,22,25,27,29-30,32,34-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-,33-31-/t43-/m1/s1
HMDB14399	Doxycycline	[H][C@@]12[C@@H](C)C3=C(C(O)=CC=C3)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O	InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
HMDB14398	Medrysone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C	InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1
HMDB14395	Dapsone	NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1	InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
HMDB14394	Idoxuridine	OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O	InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
HMDB14397	Phenytoin	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
HMDB14396	Terconazole	CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1	InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
HMDB14391	Ziprasidone	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1	InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
HMDB14390	Benzatropine	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C	InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
HMDB14393	Cabergoline	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC	InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
HMDB14392	Methysergide	[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO	InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15?,19-/m1/s1
HMDB47068	TG(24:0/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,42,62H,4-16,18-19,21-25,27,29-32,34,36-39,41,43-61H2,1-3H3/b20-17-,28-26-,35-33-,42-40-
HMDB58977	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43-44,46,48-50,52,55,58-59,62,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,45,47,51,53-54,56-57,60-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-/t81?,82-,83-/m1/s1
HMDB54358	TG(22:2(13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,37,40,59H,4-6,8-9,11-15,18,21-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-37-
HMDB13628	PGF2a ethanolamide	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)NCCO	InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4+,13-12+/t17-,18+,19+,20-,21+/m0/s1
HMDB13629	PGD2 ethanolamide	<smiles/>	InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
HMDB13624	Alpha-Linolenoyl ethanolamide	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCO	InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,22H,2,5,8,11-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-
HMDB13625	Dihomo-gamma-Linolenoyl ethanolamide	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NCCO	InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
HMDB13626	Adrenoyl ethanolamide	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCO	InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
HMDB13627	Cervonoyl ethanolamide	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCCO	InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25/h3-4,6-7,9-10,12-13,15-16,18-19,25H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
HMDB13620	19(20)-EpDPE	CCC1OC1C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H32O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-13-,16-14-
HMDB13621	16(17)-EpDPE	CC\C=C/CC1OC1C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,20-21H,2,4,9-10,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-3-,15-12-
HMDB13622	Nonadeca-10(Z)-enoic acid	CCCCCCCC\C=C/CCCCCCCCC(O)=O	InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-
HMDB13623	12(13)Ep-9-KODE	CCCCCC1OC1\C=C\C(=O)CCCCCCCC(O)=O	InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+
HMDB34612	Torachrysone 8-(2-apiosylglucoside)	COC1=CC2=CC(C)=C(C(C)=O)C(O)=C2C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)=C1	InChI=1S/C25H32O13/c1-10-4-12-5-13(34-3)6-14(17(12)19(30)16(10)11(2)28)36-23-21(20(31)18(29)15(7-26)37-23)38-24-22(32)25(33,8-27)9-35-24/h4-6,15,18,20-24,26-27,29-33H,7-9H2,1-3H3
HMDB34613	Torachrysone 8-beta-gentiobioside	COC1=CC2=CC(C)=C(C(C)=O)C(O)=C2C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C26H34O14/c1-9-4-11-5-12(36-3)6-13(17(11)20(31)16(9)10(2)28)38-26-24(35)22(33)19(30)15(40-26)8-37-25-23(34)21(32)18(29)14(7-27)39-25/h4-6,14-15,18-19,21-27,29-35H,7-8H2,1-3H3
HMDB34610	Zucchini factor B	CC1(COC(=O)C2=CC=CC=C2)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1	InChI=1S/C44H57NO4/c1-39(2)34-18-17-33-32(42(34,5)21-20-36(39)49-38(47)30-13-15-31(45)16-14-30)19-22-44(7)35-27-40(3,23-24-41(35,4)25-26-43(33,44)6)28-48-37(46)29-11-9-8-10-12-29/h8-17,19,34-36H,18,20-28,45H2,1-7H3
HMDB34611	Rutaretin 9-rutinoside	CC1OC(OCC2OC(OC3=C4OC(=O)C=CC4=CC4=C3OC(C4)C(C)(C)O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C26H34O14/c1-9-15(28)17(30)19(32)24(36-9)35-8-12-16(29)18(31)20(33)25(37-12)40-23-21-10(4-5-14(27)39-21)6-11-7-13(26(2,3)34)38-22(11)23/h4-6,9,12-13,15-20,24-25,28-34H,7-8H2,1-3H3
HMDB34616	2,2-Dibromo-2-cyanoacetamide	NC(=O)C(Br)(Br)C#N	InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
HMDB34617	3,4-Epoxy-11,14-dihydroxy-12-cyathen-15-al; (3b,4b,11b,14b)-form, 11-Et ether, 14-O-b-D-xylopyranoside	CCOC1CC2C34OC3(CCC4(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O)C(C)C	InChI=1S/C27H42O8/c1-6-32-18-12-19-25(5,9-7-24(4)8-10-26(15(2)3)27(19,24)35-26)20(11-16(18)13-28)34-23-22(31)21(30)17(29)14-33-23/h11,13,15,17-23,29-31H,6-10,12,14H2,1-5H3
HMDB34614	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranosyl-(1-&gt;3)-b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=CC2=CC(C)=C(C(C)=O)C(O)=C2C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C38H54O24/c1-11-4-13-5-14(54-3)6-15(21(13)26(46)20(11)12(2)41)57-37-31(51)28(48)23(43)18(60-37)10-56-36-33(53)34(25(45)17(8-40)59-36)62-38-32(52)29(49)24(44)19(61-38)9-55-35-30(50)27(47)22(42)16(7-39)58-35/h4-6,16-19,22-25,27-40,42-53H,7-10H2,1-3H3
HMDB34615	Epoxyanethole	COC1=CC=C(C=C1)C1OC1C	InChI=1S/C10H12O2/c1-7-10(12-7)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
HMDB15279	Flavoxate	CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1	InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
HMDB15278	Cloxacillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C(O)=O	InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
HMDB34618	2-O-Benzoyl-D-glucose	OCC(O)C(O)C(O)C(OC(=O)C1=CC=CC=C1)C=O.OCC(O)C1OC(O)C(OC(=O)C2=CC=CC=C2)C1O.OCC1OC(O)C(OC(=O)C2=CC=CC=C2)C(O)C1O	InChI=1S/3C13H16O7/c14-6-8(15)10-9(16)11(13(18)19-10)20-12(17)7-4-2-1-3-5-7;14-6-8-9(15)10(16)11(13(18)19-8)20-12(17)7-4-2-1-3-5-7;14-6-9(16)11(17)12(18)10(7-15)20-13(19)8-4-2-1-3-5-8/h2*1-5,8-11,13-16,18H,6H2;1-5,7,9-12,14,16-18H,6H2
HMDB34619	Vinaginsenoside R24	C\C(CO)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H82O19/c1-22(18-49)9-8-13-48(7,67-42-39(61)36(58)33(55)26(20-51)63-42)23-10-15-47(6)31(23)24(53)17-29-45(4)14-12-30(44(2,3)28(45)11-16-46(29,47)5)65-43-40(37(59)34(56)27(21-52)64-43)66-41-38(60)35(57)32(54)25(19-50)62-41/h9,23-43,49-61H,8,10-21H2,1-7H3/b22-9+
HMDB39868	5-(12-Heneicosenyl)-1,3-benzenediol	CCCCCCCC\C=C/CCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h9-10,22-24,28-29H,2-8,11-21H2,1H3/b10-9-
HMDB39869	5-(14-Heneicosenyl)-1,3-benzenediol	CCCCCC\C=C\CCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h7-8,22-24,28-29H,2-6,9-21H2,1H3/b8-7+
HMDB39862	3-O-beta-D-Galactopyranosylproanthocyanidin A5'	OCC1OC(OC2C3C4=C(O)C=C(O)C=C4OC2(OC2=CC(O)=C4CC(O)C(OC4=C32)C2=CC=C(O)C(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C36H34O17/c37-11-25-29(46)30(47)31(48)35(49-25)51-34-28-26-21(44)7-14(38)8-23(26)52-36(34,13-2-4-17(40)20(43)6-13)53-24-10-18(41)15-9-22(45)32(50-33(15)27(24)28)12-1-3-16(39)19(42)5-12/h1-8,10,22,25,28-32,34-35,37-48H,9,11H2
HMDB39863	3-O-alpha-L-Arabinopyranosylcinnamtannin B1	[H]OC1=C([H])C2=C(C(O[H])=C1[H])C1([H])C3=C(OC(O2)(C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C1([H])OC1([H])OC([H])([H])C([H])(O[H])C([H])(O[H])C1([H])O[H])C([H])=C(O[H])C1=C3OC([H])(C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C([H])(O[H])C1([H])C1=C(O[H])C([H])=C(O[H])C2=C1OC([H])(C1=C([H])C([H])=C(O[H])C(O[H])=C1[H])C([H])(O[H])C2([H])[H]	InChI=1S/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2
HMDB39860	Propylene glycol alginate	COC1OC(C(OC2OC(C(C)C(O)C2O)C(=O)OCC(C)O)C(O)C1O)C(O)=O	InChI=1S/C17H28O13/c1-5(18)4-27-15(25)11-6(2)7(19)9(21)17(28-11)29-12-8(20)10(22)16(26-3)30-13(12)14(23)24/h5-13,16-22H,4H2,1-3H3,(H,23,24)
HMDB39861	3-O-alpha-L-Arabinopyranosylproanthocyanidin A5'	[H]OC1=C([H])C(O[H])=C2C(OC3(OC4=C([H])C(O[H])=C5C(OC([H])(C6=C([H])C([H])=C(O[H])C(O[H])=C6[H])C([H])(O[H])C5([H])[H])=C4C2([H])C3([H])OC2([H])OC([H])([H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])=C1[H]	InChI=1S/C35H32O16/c36-14-7-21(42)26-24(8-14)50-35(13-2-4-17(38)20(41)6-13)33(49-34-30(46)29(45)23(44)11-47-34)28(26)27-25(51-35)10-18(39)15-9-22(43)31(48-32(15)27)12-1-3-16(37)19(40)5-12/h1-8,10,22-23,28-31,33-34,36-46H,9,11H2
HMDB39866	5-(12-Nonadecenyl)-1,3-benzenediol	CCCCCC\C=C\CCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h7-8,20-22,26-27H,2-6,9-19H2,1H3/b8-7+
HMDB39867	5-(10,13-Nonadecadienyl)-1,3-benzenediol	CCCCC\C=C\C\C=C\CCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h6-7,9-10,20-22,26-27H,2-5,8,11-19H2,1H3/b7-6+,10-9+
HMDB39864	3-O-beta-D-Galactopyranosylcinnamtannin B1	[H]OC1=C([H])C2=C(C(O[H])=C1[H])C1([H])C3=C(OC(O2)(C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C1([H])OC1([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H])C([H])=C(O[H])C1=C3OC([H])(C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C([H])(O[H])C1([H])C1=C(O[H])C([H])=C(O[H])C2=C1OC([H])(C1=C([H])C([H])=C(O[H])C(O[H])=C1[H])C([H])(O[H])C2([H])[H]	InChI=1S/C51H46O23/c52-15-34-41(65)43(67)44(68)50(69-34)72-49-40-35-28(61)10-19(53)11-32(35)73-51(49,18-3-6-23(56)27(60)9-18)74-33-14-30(63)37-39(42(66)46(71-48(37)38(33)40)17-2-5-22(55)26(59)8-17)36-29(62)13-24(57)20-12-31(64)45(70-47(20)36)16-1-4-21(54)25(58)7-16/h1-11,13-14,31,34,39-46,49-50,52-68H,12,15H2
HMDB39865	5-(10-Nonadecenyl)-1,3-benzenediol	CCCCCCCC\C=C\CCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h9-10,20-22,26-27H,2-8,11-19H2,1H3/b10-9+
HMDB28798	Glutaminyl-Hydroxyproline	NC(=O)CCC(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C10H17N3O5/c11-8(15)2-1-6(10(17)18)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4H2,(H2,11,15)(H,13,16)(H,17,18)
HMDB28799	Glutaminyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C11H17N5O4/c12-7(3-6-4-14-5-15-6)10(18)16-8(11(19)20)1-2-9(13)17/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)
HMDB28796	Glutaminyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/p-1
HMDB28797	Glutaminyl-Glycine	NCC(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)
HMDB28794	Glutaminyl-Cysteine	NC(CS)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C8H15N3O4S/c9-4(3-16)7(13)11-5(8(14)15)1-2-6(10)12/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)
HMDB28795	Glutaminyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)
HMDB28792	Glutaminyl-Asparagine	NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C9H16N4O5/c10-4(3-7(12)15)8(16)13-5(9(17)18)1-2-6(11)14/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)
HMDB28793	Glutaminyl-Aspartate	NC(CC(O)=O)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C9H15N3O6/c10-4(3-7(14)15)8(16)12-5(9(17)18)1-2-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)
HMDB28790	Glutaminyl-Alanine	CC(N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)
HMDB28791	Glutaminyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C11H22N6O4/c12-6(2-1-5-16-11(14)15)9(19)17-7(10(20)21)3-4-8(13)18/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)
HMDB31389	Annopentocin A	[H][C@]1(CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@@H](O)[C@H](O)CCCCCCCCCCCC	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31+,32+,33-,34-/m0/s1
HMDB31388	23-Hydroxyphysalolactone	CC1=C(C)C(=O)OC(C1O)C(C)(O)C1(O)CCC2(O)C3CC(Cl)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H39ClO9/c1-13-14(2)22(33)38-21(20(13)32)25(5,34)27(36)11-10-26(35)16-12-17(29)28(37)19(31)7-6-18(30)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-17,19-21,31-32,34-37H,8-12H2,1-5H3
HMDB58976	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40-41,45-46,48,51,55,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47,49-50,52-54,56-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,48-46-,55-51-/t77?,78-,79-/m1/s1
HMDB34159	Acetyl tributyl citrate	CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC	InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
HMDB34158	2,6-Dimethoxyphenol	COC1=CC=CC(OC)=C1O	InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
HMDB28844	Glycyl-Isoleucine	CCC(C)C(N)C(=O)NCC(O)=O	InChI=1S/C8H16N2O3/c1-3-5(2)7(9)8(13)10-4-6(11)12/h5,7H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)
HMDB28845	Glycyl-Leucine	CC(C)CC(N)C(=O)NCC(O)=O	InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)
HMDB28842	Glycyl-Hydroxyproline	OC1CNC(C1)C(=O)NCC(O)=O	InChI=1S/C7H12N2O4/c10-4-1-5(8-2-4)7(13)9-3-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)
HMDB28843	Glycyl-Histidine	NC(CC1=CN=CN1)C(=O)NCC(O)=O	InChI=1S/C8H12N4O3/c9-6(1-5-2-10-4-12-5)8(15)11-3-7(13)14/h2,4,6H,1,3,9H2,(H,10,12)(H,11,15)(H,13,14)
HMDB45159	TG(18:0/20:3n6/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,54H,4-15,17-18,20,22-23,26,28-29,31-32,34-53H2,1-3H3/b19-16-,24-21-,27-25-,33-30-
HMDB45158	TG(18:0/20:3n6/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,52H,4-14,17,20-23,25,27-28,30,32-51H2,1-3H3/b18-15-,19-16-,26-24-,31-29-
HMDB28840	Glycyl-Glutamate	NC(CCC([O-])=O)C(=O)NCC(O)=O	InChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/p-1
HMDB45151	TG(18:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,31-32,37,40,59H,4-6,8-9,11-13,15,18,20-22,24,27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,40-37-
HMDB45150	TG(18:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,35,41,44,57H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,35-33-,44-41-
HMDB45153	TG(18:0/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,22,25,56H,4-12,14-15,17-21,23-24,26-55H2,1-3H3/b16-13-,25-22-
HMDB45152	TG(18:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,31-32,37,40,46,49,59H,4-6,8-9,11-13,15,18,20-22,24,27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,40-37-,49-46-
HMDB45155	TG(18:0/20:3n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,58H,4-16,18-19,21-25,27-28,30-33,35-36,38-57H2,1-3H3/b20-17-,29-26-,37-34-
HMDB45154	TG(18:0/20:3n6/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,56H,4-15,17-18,20-24,26-27,29-31,33-34,36-55H2,1-3H3/b19-16-,28-25-,35-32-
HMDB45157	TG(18:0/20:3n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,62H,4-16,18-19,21-25,27-28,30-37,39-40,42-61H2,1-3H3/b20-17-,29-26-,41-38-
HMDB45156	TG(18:0/20:3n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,60H,4-16,18-19,21-25,27-28,30-35,37-38,40-59H2,1-3H3/b20-17-,29-26-,39-36-
HMDB49779	TG(18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30-32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,39-36-,48-45-
HMDB38344	Spirolide C	CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)C(C)CC22CCC(C4OC(=O)C(C)=C4)=C(C)C2\C=C(C)\C(O)CC1O3	InChI=1S/C43H63NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19-20,28-30,32,34-37,45,47H,1,9-18,21-24H2,2-8H3/b26-19+
HMDB38345	Cholest-5-ene-1,3,16,22-tetrol; (1b,3b,16b,22S)-form, 1-O-a-L-Rhamnopyranoside, 16-O-b-D-galactopyranoside	CC(C)CCC(O)C(C)C1C(CC2C3CC=C4CC(O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C39H66O13/c1-17(2)7-10-25(42)18(3)29-26(50-37-35(48)33(46)31(44)27(16-40)51-37)15-24-22-9-8-20-13-21(41)14-28(39(20,6)23(22)11-12-38(24,29)5)52-36-34(47)32(45)30(43)19(4)49-36/h8,17-19,21-37,40-48H,7,9-16H2,1-6H3
HMDB35110	8-Epidiosbulbin E acetate	CC(=O)OC1CC2C(=O)OC(CC2(C)C2CC3CC(C12)C(=O)O3)C1=COC=C1	InChI=1S/C21H24O7/c1-10(22)26-16-7-15-20(24)28-17(11-3-4-25-9-11)8-21(15,2)14-6-12-5-13(18(14)16)19(23)27-12/h3-4,9,12-18H,5-8H2,1-2H3
HMDB49778	TG(18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30-32,36,39,58H,4-6,8-9,11-15,17-18,20-24,27,29,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,39-36-
HMDB35111	(3beta,21alphaH)-22(30)-Hopene-3,29-diol	CC12CCC(C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC12C)C(=C)CO	InChI=1S/C30H50O2/c1-19(18-31)20-10-14-27(4)21(20)11-16-29(6)23(27)8-9-24-28(5)15-13-25(32)26(2,3)22(28)12-17-30(24,29)7/h20-25,31-32H,1,8-18H2,2-7H3
HMDB35116	(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid	CC1(CCC2C(=C1)C(O)CC1C2(C)CCCC1(C)C(O)=O)C=C	InChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)
HMDB47322	TG(24:0/22:1(13Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,66H,4-25,28,31-65H2,1-3H3/b29-26-,30-27-
HMDB35117	(3beta,6beta)-Furanoeremophilane-3,6-diol	CC1C(O)CCC2CC3=C(C(O)C12C)C(C)=CO3	InChI=1S/C15H22O3/c1-8-7-18-12-6-10-4-5-11(16)9(2)15(10,3)14(17)13(8)12/h7,9-11,14,16-17H,4-6H2,1-3H3
HMDB14636	Cefotaxime	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
HMDB14634	Miglitol	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
HMDB14635	Fosinopril	CCC(=O)OC(OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C	InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1
HMDB14632	Sotalol	CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1	InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
HMDB14633	Buspirone	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1	InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
HMDB14630	Pefloxacin	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1	InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)
HMDB14631	Altretamine	CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C	InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
HMDB35115	(1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid	CC1(NC(CC2=C1NC1=CC=CC=C21)C(O)=O)C(O)=O	InChI=1S/C14H14N2O4/c1-14(13(19)20)11-8(6-10(16-14)12(17)18)7-4-2-3-5-9(7)15-11/h2-5,10,15-16H,6H2,1H3,(H,17,18)(H,19,20)
HMDB14638	Zidovudine	CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O	InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
HMDB14639	Darifenacin	NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
HMDB11578	MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1
HMDB11579	MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h3-4,6-7,9-10,12-13,22,24-25H,2,5,8,11,14-21H2,1H3/b4-3-,7-6-,10-9-,13-12-/t22-/m0/s1
HMDB11576	MG(20:3(5Z,8Z,11Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h9-10,12-13,15-16,22,24-25H,2-8,11,14,17-21H2,1H3/b10-9-,13-12-,16-15-/t22-/m0/s1
HMDB11577	MG(20:3(8Z,11Z,14Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,22,24-25H,2-5,8,11,14-21H2,1H3/b7-6-,10-9-,13-12-/t22-/m0/s1
HMDB11574	MG(20:2(11Z,14Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C23H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,22,24-25H,2-5,8,11-21H2,1H3/b7-6-,10-9-/t22-/m0/s1
HMDB11575	MG(20:3(11Z,14Z,17Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h3-4,6-7,9-10,22,24-25H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-/m0/s1
HMDB11572	MG(20:0/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h22,24-25H,2-21H2,1H3/t22-/m0/s1
HMDB11573	MG(20:1(11Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h9-10,22,24-25H,2-8,11-21H2,1H3/b10-9-/t22-/m0/s1
HMDB11570	MG(18:3(9Z,12Z,15Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m0/s1
HMDB11571	MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,12-13,20,22-23H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,13-12-/t20-/m0/s1
HMDB52618	TG(18:2(9Z,12Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35,37,39,43,46,65H,4-7,9-10,12-16,18-19,22-23,27,31-34,36,38,40-42,44-45,47-64H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-35-,39-30-,46-43-
HMDB52619	TG(18:2(9Z,12Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35,37,39,43,46,52,55,65H,4-7,9-10,12-16,18-19,22-23,27,31-34,36,38,40-42,44-45,47-51,53-54,56-64H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-35-,39-30-,46-43-,55-52-
HMDB52616	TG(18:2(9Z,12Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,37-38,41,63H,4-7,9-10,12-16,18-19,22-23,27,31-36,39-40,42-62H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-30-,41-38-
HMDB52617	TG(18:2(9Z,12Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,37-38,41,47,50,63H,4-7,9-10,12-16,18-19,22-23,27,31-36,39-40,42-46,48-49,51-62H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-30-,41-38-,50-47-
HMDB52614	TG(18:2(9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,35-36,61H,4-8,10-11,13-17,19,22,24,26,30-34,37-60H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-,36-29-
HMDB52615	TG(18:2(9Z,12Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,35-36,41,44,61H,4-8,10-11,13-17,19,22,24,26,30-34,37-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-,36-29-,44-41-
HMDB52612	TG(18:2(9Z,12Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35,37,39,43,46,65H,4-16,18-19,22-23,27,31-34,36,38,40-42,44-45,47-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-35-,39-30-,46-43-
HMDB52613	TG(18:2(9Z,12Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35,37,39,43,46,52,55,65H,4-16,18-19,22-23,27,31-34,36,38,40-42,44-45,47-51,53-54,56-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-35-,39-30-,46-43-,55-52-
HMDB52610	TG(18:2(9Z,12Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,37-38,41,47,50,63H,4-16,18-19,22-23,27,31-36,39-40,42-46,48-49,51-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-30-,41-38-,50-47-
HMDB52611	TG(18:2(9Z,12Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,39,65H,4-16,18-19,22-23,27,31-38,40-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-30-
HMDB58042	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,30,33,35-36,38,73-75,80H,5-25,27-29,31-32,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,36-33-,38-35-/t73?,74-,75-/m1/s1
HMDB58045	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-35,38-39,75-77,82H,5-24,26-27,30-31,33,36-37,40-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,32-28-,38-34-,39-35-/t75?,76-,77-/m1/s1
HMDB47323	TG(24:0/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,40,43,49,52,66H,4-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b29-26-,30-27-,43-40-,52-49-
HMDB10621	PG(18:1(11Z)/18:3(6Z,9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,39-40,43-44H,3-11,16-17,19,21-23,25,27-38H2,1-2H3,(H,47,48)/b14-12-,15-13-,20-18-,26-24-/t39-,40+/m0/s1
HMDB10620	PG(18:1(11Z)/18:2(9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39-40,43-44H,3-11,16-17,19,21-38H2,1-2H3,(H,47,48)/b14-12-,15-13-,20-18-/t39-,40+/m0/s1
HMDB10623	PG(18:1(11Z)/20:3(5Z,8Z,11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,41-42,45-46H,3-13,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1
HMDB10622	PG(18:1(11Z)/18:3(9Z,12Z,15Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,39-40,43-44H,3-5,7,9-11,16-17,19,21-38H2,1-2H3,(H,47,48)/b8-6-,14-12-,15-13-,20-18-/t39-,40+/m0/s1
HMDB10625	PG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,41-42,45-46H,3-10,12,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1
HMDB10624	PG(18:1(11Z)/20:3(8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41-42,45-46H,3-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,24-22-/t41-,42+/m0/s1
HMDB10627	PG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,43-44,47-48H,3-10,12,15,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10626	PG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H81O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,43-44,47-48H,3-10,12,15,18,20,23-25,27,29-42H2,1-2H3,(H,51,52)/b13-11-,16-14-,19-17-,22-21-,28-26-/t43-,44+/m0/s1
HMDB10629	PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10628	PG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,43-44,47-48H,3-4,6,8-10,12,15,18,20,23-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-/t43-,44+/m0/s1
HMDB07137	DG(16:1(9Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3/b16-14-,18-17-/t37-/m0/s1
HMDB07136	DG(16:1(9Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,37,40H,3-13,15,17-36H2,1-2H3/b16-14-/t37-/m0/s1
HMDB07131	DG(16:1(9Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,35,38H,3-13,15,19-34H2,1-2H3/b16-14-,18-17-/t35-/m0/s1
HMDB07130	DG(16:1(9Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,35,38H,3-12,17-34H2,1-2H3/b15-13-,16-14-/t35-/m0/s1
HMDB07133	DG(16:1(9Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,22,24,35,38H,3-10,12,15,19-21,23,25-34H2,1-2H3/b13-11-,16-14-,18-17-,24-22-/t35-/m0/s1
HMDB07132	DG(16:1(9Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,35,38H,3-10,12,15,19-34H2,1-2H3/b13-11-,16-14-,18-17-/t35-/m0/s1
HMDB54513	TG(22:2(13Z,16Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33,35,40,43,49,52,63H,4-14,21-23,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB54512	TG(22:2(13Z,16Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33,35,40,43,63H,4-14,21-23,30-32,34,36-39,41-42,44-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,43-40-
HMDB54511	TG(22:2(13Z,16Z)/20:2n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,63H,4-14,21-23,30-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-
HMDB54510	TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,33,40,43,59H,4-15,17,20,22-24,26,29-32,34-39,41-42,44-58H2,1-3H3/b19-16-,21-18-,28-25-,33-27-,43-40-
HMDB54517	TG(22:2(13Z,16Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,36,38,44,47,61H,4-7,9-10,12-14,21-23,30-35,37,39-43,45-46,48-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,38-36-,47-44-
HMDB54516	TG(22:2(13Z,16Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,36,38,61H,4-7,9-10,12-14,21-23,30-35,37,39-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,38-36-
HMDB54515	TG(22:2(13Z,16Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,33,39,42,59H,4-8,10-11,13,15,20,22,24,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,33-27-,42-39-
HMDB54514	TG(22:2(13Z,16Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,33,59H,4-8,10-11,13,15,20,22,24,29-32,34-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,33-27-
HMDB54519	TG(22:2(13Z,16Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33,35,40,43,49,52,63H,4-6,8-9,11-14,21-23,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB54518	TG(22:2(13Z,16Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33,35,40,43,63H,4-6,8-9,11-14,21-23,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,43-40-
HMDB58841	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-40,42,44-46,48,50,52,54,60,64,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,47,49,51,53,55-59,61-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,52-48-,54-50-,64-60-/t83?,84-,85-/m1/s1
HMDB50975	TG(20:3(5Z,8Z,11Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB50974	TG(20:3(5Z,8Z,11Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB46846	TG(22:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,36,62H,4-8,10-11,13-15,17,20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,36-27-
HMDB56747	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,40,44,52,56,75-77,82H,5-20,22-24,28-29,32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB50977	TG(20:3(5Z,8Z,11Z)/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,38-39,41-42,47-48,50-51,64H,4-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB46847	TG(22:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,39,42,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-
HMDB46844	TG(22:0/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,37,60H,4-8,10-11,13-16,19,22-25,28,30-33,36,38-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,37-35-
HMDB07683	DG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,41,44H,3-10,15-16,20,24,26,28-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1
HMDB07682	DG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,25,27,41,44H,3-10,12,14-16,20,24,26,28-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1
HMDB07681	DG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,41,44H,3-10,12,15,18,20,23-24,26,28-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,27-25-/t41-/m0/s1
HMDB07680	DG(22:4(7Z,10Z,13Z,16Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,41,44H,3-10,12,14-16,18,20,23-24,26,28-40H2,1-2H3/b13-11-,19-17-,22-21-,27-25-/t41-/m0/s1
HMDB07687	DG(22:4(7Z,10Z,13Z,16Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,43,46H,3-10,12,14-16,18,20-21,23,25-26,28,30-42H2,1-2H3/b13-11-,19-17-,24-22-,29-27-/t43-/m0/s1
HMDB07686	DG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30,41,44H,3-5,7,9-10,15-16,20,24,26,29,31-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t41-/m0/s1
HMDB07685	DG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27,41,44H,3-5,7,9-10,15-16,20,24,26,28-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-/m0/s1
HMDB07684	DG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27-28,30,41,44H,3-10,15-16,20,24,26,29,31-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t41-/m0/s1
HMDB46842	TG(22:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,32-33,38,41,58H,4-8,10-11,13-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,32-26-,33-27-,41-38-
HMDB07689	DG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,43,46H,3-10,15-16,21,23,25-26,28,30-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1
HMDB07688	DG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,43,46H,3-10,12,14-16,21,23,25-26,28,30-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,29-27-/t43-/m0/s1
HMDB46843	TG(22:0/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,33,59H,4-8,10-11,13,15-16,19-20,22,24-25,28-32,34-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,33-27-
HMDB46840	TG(22:0/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-
HMDB46841	TG(22:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,33-34,59H,4-8,10-11,13-17,19,22,24-26,28,30-32,35-58H2,1-3H3/b12-9-,21-18-,23-20-,33-27-,34-29-
HMDB44279	TG(16:0/18:3(6Z,9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,54H,4-16,18-19,21-25,27-28,30-35,37-38,40-53H2,1-3H3/b20-17-,29-26-,39-36-
HMDB10337	6-Dehydrotestosterone glucuronide	[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C	InChI=1S/C25H34O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h3-4,11,14-21,23,27-29H,5-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
HMDB44278	TG(16:0/18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,52H,4-16,18-19,21-25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,28-26-,37-34-
HMDB10336	Epinephrine glucuronide	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1	InChI=1S/C15H21NO9/c1-16-5-8(18)6-2-3-9(7(17)4-6)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h2-4,8,10-13,15-21H,5H2,1H3,(H,22,23)/t8-,10-,11-,12+,13-,15+/m0/s1
HMDB10335	Estriol-3-glucuronide	C[C@]12CCC3C(CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)C1C[C@@H](O)[C@@H]2O	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13?,14?,15?,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
HMDB44040	TG(16:0/14:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,49H,4-12,14,17,19-21,23,25-48H2,1-3H3/b16-13-,18-15-,24-22-
HMDB10334	Ketoprofen glucuronide	CC(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1	InChI=1S/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1
HMDB10333	Estriol-17-glucuronide	[H][C@]12C[C@@H](O)[C@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])C3=C(CC[C@]21[H])C=C(O)C=C3	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16+,17-,18-,19+,20-,21-,23?,24-/m0/s1
HMDB10332	Bilirubin glucuronide	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(=O)O[C@H]3[C@H](O)O[C@@H]([C@@H](O)[C@@H]3O)C(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1	InChI=1S/C39H44N4O12/c1-7-20-19(6)36(49)43-27(20)14-25-17(4)22(9-11-30(44)45)28(41-25)15-29-23(18(5)24(40-29)13-26-16(3)21(8-2)37(50)42-26)10-12-31(46)54-35-33(48)32(47)34(38(51)52)55-39(35)53/h7-8,13-14,32-35,39-41,47-48,53H,1-2,9-12,15H2,3-6H3,(H,42,50)(H,43,49)(H,44,45)(H,51,52)/b26-13-,27-14-/t32-,33-,34-,35+,39+/m0/s1
HMDB10331	Palmitoyl glucuronide	CCCCCCCCCCCCCCCCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-22-19(25)17(23)18(24)20(29-22)21(26)27/h17-20,22-25H,2-16H2,1H3,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1
HMDB10330	Cholesterol glucuronide	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)C	InChI=1S/C33H54O7/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-32(20,4)25(22)14-16-33(23,24)5)39-31-28(36)26(34)27(35)29(40-31)30(37)38/h9,18-19,21-29,31,34-36H,6-8,10-17H2,1-5H3,(H,37,38)/t19-,21?,22+,23-,24+,25+,26+,27+,28-,29+,31-,32+,33-/m1/s1
HMDB44041	TG(16:0/14:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,50H,4-14,17,20-23,26,28,30-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-
HMDB00488	4E,15Z-Bilirubin IXa	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N1	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14-
HMDB00489	Aspartylglycosamine	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O	InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1
HMDB00484	Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
HMDB44277	TG(16:0/18:3(6Z,9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19,25-26,32,35,50H,4-15,17-18,20-24,27-31,33-34,36-49H2,1-3H3/b19-16-,26-25-,35-32-
HMDB00486	7-Hydroxyoctanoic acid	CC(O)CCCCCC(O)=O	InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
HMDB00481	Allopurinol riboside	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1N=CC2=C1NC=NC2=O	InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18)/t5-,6-,7-,10-/m1/s1
HMDB00482	Caprylic acid	CCCCCCCC(O)=O	InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
HMDB00483	5b-Cholestane-3a,7a,12a,23S,25-pentol	[H]C1CC([C@@H](C)C[C@H](O)CC(C)(C)O)[C@]2(C)C1[C@]1([H])[C@H](O)C[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H]2O	InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17+,18-,19?,20?,21-,22+,23-,24-,26-,27+/m0/s1
HMDB48040	TG(14:1(9Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,35,38,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-,38-35-
HMDB49777	TG(18:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,32,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,34-32-,43-40-
HMDB53989	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-37,39-41,44,50,53,62H,4-6,8-9,11-15,22-24,31,33-34,38,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,53-50-
HMDB53988	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-
HMDB53985	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-37,39-41,44-45,48,62H,4-6,9,12-15,22-24,31,33-34,38,42-43,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-
HMDB53984	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-37,39-41,44,62H,4-6,9,12-15,22-24,31,33-34,38,42-43,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-
HMDB53987	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-
HMDB53986	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB53981	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-
HMDB53980	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB53983	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-40,42-43,60H,4-6,8,11,13-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-
HMDB53982	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-39,42,60H,4-6,8,11,13-15,22-24,30,32,36-37,40-41,43-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-
HMDB05817	2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose	CC1OC(OCC(O)C(O)C(O)C(NC(C)=O)C=O)C(O)C(O)C1O	InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)
HMDB49776	TG(18:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,32,34,56H,4-6,8-9,11-15,17-18,20-24,27,29,31,33,35-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,34-32-
HMDB48503	TG(16:1(9Z)/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,54H,4-20,22-23,25,27-28,30-53H2,1-3H3/b24-21-,29-26-
HMDB48507	TG(16:1(9Z)/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-
HMDB51984	TG(24:1(15Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,63H,4-14,16-17,19-23,26,29-62H2,1-3H3/b18-15-,27-24-,28-25-
HMDB48447	TG(16:1(9Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,53H,4-15,17-18,21-22,24,27-52H2,1-3H3/b19-16-,23-20-,26-25-
HMDB46558	TG(22:0/20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,33,35,41,44,56H,4-14,16-17,19-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,27-25-,35-33-,44-41-
HMDB46559	TG(22:0/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,34,37,43,46,58H,4-20,22-23,25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b24-21-,28-26-,37-34-,46-43-
HMDB53329	TG(20:2n6/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,23-24,26-27,60H,4-13,16,19-22,25,28-59H2,1-3H3/b17-14-,18-15-,26-23-,27-24-
HMDB53328	TG(20:2n6/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,58H,4-13,15-16,18-22,24-25,27-57H2,1-3H3/b17-14-,26-23-
HMDB53904	TG(20:3n6/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,61H,4-15,18,21-24,27,30-34,36-37,39-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-
HMDB53321	TG(20:2n6/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,32,34,39,42,48,51,61H,4-14,17,20-23,26,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,34-32-,42-39-,51-48-
HMDB53320	TG(20:2n6/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,32,34,39,42,61H,4-14,17,20-23,26,29-31,33,35-38,40-41,43-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,34-32-,42-39-
HMDB53323	TG(20:2n6/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,31,37,40,57H,4-8,10-11,13,15-16,19-20,22,24-25,28-30,32-36,38-39,41-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,31-27-,40-37-
HMDB53322	TG(20:2n6/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,31,57H,4-8,10-11,13,15-16,19-20,22,24-25,28-30,32-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,31-27-
HMDB53325	TG(20:2n6/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,34,37,43,46,59H,4-6,8-9,11-14,17,20-23,26,29-33,35-36,38-42,44-45,47-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,37-34-,46-43-
HMDB53324	TG(20:2n6/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,34,37,59H,4-6,8-9,11-14,17,20-23,26,29-33,35-36,38-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,37-34-
HMDB53327	TG(20:2n6/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,32,34,39,42,48,51,61H,4-6,8-9,11-14,17,20-23,26,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,34-32-,42-39-,51-48-
HMDB53326	TG(20:2n6/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,32,34,39,42,61H,4-6,8-9,11-14,17,20-23,26,29-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,34-32-,42-39-
HMDB49238	TG(18:1(11Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,41,44,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,44-41-
HMDB49239	TG(18:1(11Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,51H,4-14,16-17,19,21-22,24-50H2,1-3H3/b18-15-,23-20-
HMDB53906	TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44-45,48,62H,4-15,22-24,31,33-34,38,42-43,46-47,49-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-
HMDB50988	TG(20:3(5Z,8Z,11Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36-37,40,46,49,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,40-37-,49-46-
HMDB50989	TG(20:3(5Z,8Z,11Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36-37,40,42,45-46,49,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB48441	TG(16:1(9Z)/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-23-20-17-14-11-8-5-2/h20,23,25-26,55H,4-19,21-22,24,27-54H2,1-3H3/b23-20-,26-25-
HMDB49230	TG(18:1(11Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,54H,4-14,17,21-22,25,27-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-
HMDB49231	TG(18:1(11Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,54H,4-14,17,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,36-33-
HMDB49232	TG(18:1(11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,41,44,54H,4-14,17,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,44-41-
HMDB49233	TG(18:1(11Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,50H,4-6,8-9,11-14,17,21-22,25,27-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-
HMDB49234	TG(18:1(11Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,31,33,50H,4-6,8-9,11-14,17,21-22,25,27-30,32,34-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,33-31-
HMDB49235	TG(18:1(11Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29,31,52H,4-6,8-9,11-14,17,21-22,25,27-28,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,31-29-
HMDB49236	TG(18:1(11Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,29,31,36,39,52H,4-6,8-9,11-14,17,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,31-29-,39-36-
HMDB49237	TG(18:1(11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-
HMDB07919	PC(14:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13,15,42H,6-12,14,16-41H2,1-5H3/b15-13-/t42-/m1/s1
HMDB07918	PC(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,27,29,40H,6-7,9,11-12,17-18,21,24-26,28,30-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,29-27-/t40-/m1/s1
HMDB07913	PC(14:1(9Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13-16,19-20,40H,6-12,17-18,21-39H2,1-5H3/b15-13-,16-14-,20-19-/t40-/m1/s1
HMDB07912	PC(14:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13,15,19-20,40H,6-12,14,16-18,21-39H2,1-5H3/b15-13-,20-19-/t40-/m1/s1
HMDB07911	PC(14:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13,15,40H,6-12,14,16-39H2,1-5H3/b15-13-/t40-/m1/s1
HMDB07910	PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H70NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h8,10,13-16,19-20,23,25,38H,6-7,9,11-12,17-18,21-22,24,26-37H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,25-23-/t38-/m1/s1
HMDB07917	PC(14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,40H,6-7,9,11-12,17-18,21,24-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-/t40-/m1/s1
HMDB07916	PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13-16,19-20,22-23,27,29,40H,6-12,17-18,21,24-26,28,30-39H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,29-27-/t40-/m1/s1
HMDB07915	PC(14:1(9Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13-16,19-20,22-23,40H,6-12,17-18,21,24-39H2,1-5H3/b15-13-,16-14-,20-19-,23-22-/t40-/m1/s1
HMDB07914	PC(14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13,15,19-20,22-23,27,29,40H,6-12,14,16-18,21,24-26,28,30-39H2,1-5H3/b15-13-,20-19-,23-22-,29-27-/t40-/m1/s1
HMDB46552	TG(22:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-
HMDB15371	Gemfibrozil	CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1	InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
HMDB46553	TG(22:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,41,44,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,44-41-
HMDB15372	Clomipramine	CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2	InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
HMDB15373	Chloroxine	OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2	InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
HMDB15374	Bepridil	CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1	InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
HMDB15375	Decamethonium	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C	InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
HMDB48443	TG(16:1(9Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,31,33,49H,4-15,17-18,21-22,24,27-30,32,34-48H2,1-3H3/b19-16-,23-20-,26-25-,33-31-
HMDB15376	Trimeprazine	CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12	InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
HMDB15377	Isocarboxazid	CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1	InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
HMDB02242	Dehydroisocoproporphyrinogen	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4C=C)/C(CC(O)=O)=C3CCC(O)=O	InChI=1S/C36H36N4O8/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/h5,13-16,38-39H,1,6-12H2,2-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-16-,31-15-,32-16-
HMDB02243	Picolinic acid	OC(=O)C1=CC=CC=N1	InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
HMDB34488	SP1	NCCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCC(=O)N1)C(O)=O	InChI=1S/C23H36N6O11S/c24-8-2-1-3-13(23(39)40)27-22(38)15(10-41)29-21(37)14(9-18(33)34)28-20(36)12(5-7-17(31)32)26-19(35)11-4-6-16(30)25-11/h11-15,41H,1-10,24H2,(H,25,30)(H,26,35)(H,27,38)(H,28,36)(H,29,37)(H,31,32)(H,33,34)(H,39,40)/t11-,12-,13-,14-,15-/m0/s1
HMDB02248	Gamma glutamyl ornithine	NCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O	InChI=1S/C10H19N3O5/c11-5-1-2-7(10(17)18)13-9(16)6(12)3-4-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1
HMDB02249	6-methyltetrahydropterin	CC1CNC2=C(N1)C(=O)N=C(N)N2	InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)
HMDB49451	TG(18:1(11Z)/20:3n6/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,27-28,31-32,35,56H,4-15,17-18,21-22,24,26,29-30,33-34,36-55H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,35-32-
HMDB58842	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-40,43-48,52,54,56,58,66,70,85-87,92H,5-8,10-12,14-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB30058	Ethyl propionate	CCOC(=O)CC	InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
HMDB30059	Propyl propionate	CCCOC(=O)CC	InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
HMDB30050	Melongoside P	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H86O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-47-42(64)39(61)35(57)30(17-53)70-47)43(36(58)31(18-54)71-48)72-46-41(63)37(59)33(55)22(3)67-46/h20-48,52-65H,6-19H2,1-5H3
HMDB30051	Asparagoside H	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C56H94O28/c1-21(19-74-49-42(69)38(65)36(63)30(15-57)77-49)7-12-56(73)22(2)34-29(84-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)76-53-45(72)48(83-51-43(70)39(66)37(64)31(16-58)78-51)47(33(18-60)80-53)82-52-44(71)40(67)46(32(17-59)79-52)81-50-41(68)35(62)28(61)20-75-50/h21-53,57-73H,5-20H2,1-4H3
HMDB30052	Butyl propionate	CCCCOC(=O)CC	InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
HMDB30053	Neogrifolin	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(C)C=C(O)C=C1O	InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
HMDB30054	Amasterol	CC(C)C(=C)CCC(C)(O)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H44O2/c1-18(2)19(3)11-16-28(6,30)25-10-9-23-22-8-7-20-17-21(29)12-14-26(20,4)24(22)13-15-27(23,25)5/h7-8,18,21,23-25,29-30H,3,9-17H2,1-2,4-6H3
HMDB30055	Taraxacoside	OCC1OC(OC2COC(=O)C2)C(O)C(O)C1OC(=O)CC1=CC=C(O)C=C1	InChI=1S/C18H22O10/c19-7-12-17(28-14(22)5-9-1-3-10(20)4-2-9)15(23)16(24)18(27-12)26-11-6-13(21)25-8-11/h1-4,11-12,15-20,23-24H,5-8H2
HMDB30056	Isopropyl propionate	CCC(=O)OC(C)C	InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
HMDB30057	Boviquinone 4	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O	InChI=1S/C26H36O4/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22-25(29)23(27)17-24(28)26(22)30/h9,11,13,15,17,27,30H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+,21-15+
HMDB51219	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,38-39,41,45,47-48,50,62H,4-15,17,20,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB51218	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-39,43-48,60H,4-15,17,20,22-24,31-33,40-42,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB47327	TG(24:0/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,44,47,64H,4-17,19-20,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b21-18-,29-26-,38-27-,47-44-
HMDB51212	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,38-39,41,45,47-48,50,62H,4-17,19-20,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB51211	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,34-39,43-48,60H,4-17,19-20,22-24,31-33,40-42,49-59H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB51210	TG(20:3(5Z,8Z,11Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33-34,36-37,42,45,59H,4-16,18-19,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB51217	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-39,44-45,47-48,60H,4-15,17,20,22-24,31-33,40-43,46,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB51216	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,34-35,37-38,43-44,46-47,59H,4-14,16,19,21-23,30-33,36,39-42,45,48-58H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB51215	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-34,36-38,41-43,45-46,58H,4-16,19,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB51214	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,33-35,37-38,43-44,46-47,59H,4-16,18-19,22-23,27,31-32,36,39-42,45,48-58H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-
HMDB03116	Stanozolol	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C=NN3	InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1
HMDB03114	Neurosporene	CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C	InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
HMDB03112	(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15-,30-16-,31-19+,32-20+/t35-,36-/m1/s1
HMDB03119	Benzyl alcohol	OCC1=CC=CC=C1	InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
HMDB42301	TG(14:0/16:1(9Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h19,22,44H,4-18,20-21,23-43H2,1-3H3/b22-19-
HMDB49869	TG(18:1(9Z)/16:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,33,54H,4-15,17-18,20,22-23,28,31-32,34-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,33-30-
HMDB31862	2-(2-Methylpropyl)thiazole	CC(C)CC1=NC=CS1	InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3
HMDB31863	gamma-Glutamyl-S-methylcysteine sulfoxide	CS(=O)CC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C9H16N2O6S/c1-18(17)4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
HMDB31860	2-Methoxy-3-(2-methylpropyl)pyrazine	COC1=C(CC(C)C)N=CC=N1	InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
HMDB31861	2-Acetylpyrazine	CC(=O)C1=CN=CC=N1	InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
HMDB31866	2-Methyl-4-phenyl-2-butanol	CC(C)(O)CCC1=CC=CC=C1	InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
HMDB31867	4-Acetyl-6-tert-butyl-1,1-dimethylindane	CC(=O)C1=C2CCC(C)(C)C2=CC(=C1)C(C)(C)C	InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3
HMDB31864	Methyleugenol	COC1=C(OC)C=C(CC=C)C=C1	InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
HMDB31865	4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone	CC(=O)C1=C(C)C(=C(C(=C1C)N(=O)=O)C(C)(C)C)N(=O)=O	InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
HMDB50162	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,30-31,56H,4-8,10-11,13-17,19-20,22-24,29,32-55H2,1-3H3/b12-9-,21-18-,28-25-,30-26-,31-27-
HMDB50163	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,30-32,34,40,43,56H,4-8,10-11,13-17,19-20,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b12-9-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-
HMDB31868	Monomethyl phenylphosphonate	COP(O)(=O)C1=CC=CC=C1	InChI=1S/C7H9O3P/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)
HMDB31869	Lyratol; (S,E)-form, Propanoyl	CCC(=O)OC\C(C)=C\C(C=C)C(C)=C	InChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3/b11-8+
HMDB41469	Dihydrocarveol acetate	CC1CCC(CC1OC(C)=O)C(C)=C	InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3
HMDB41468	1,3,5-Trihydroxy-10-methylacridone	CN1C2=C(C(O)=CC(O)=C2)C(=O)C2=CC=CC(O)=C12	InChI=1S/C14H11NO4/c1-15-9-5-7(16)6-11(18)12(9)14(19)8-3-2-4-10(17)13(8)15/h2-6,16-18H,1H3
HMDB50164	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,32-33,58H,4-8,10-11,13-17,19-20,22-24,29-31,34-57H2,1-3H3/b12-9-,21-18-,28-25-,32-26-,33-27-
HMDB50165	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,34-35,60H,4-8,10-11,13-17,19-20,22-24,29-33,36-59H2,1-3H3/b12-9-,21-18-,28-25-,34-26-,35-27-
HMDB32984	Mahaleboside	OCC1OC(OC2=CC=CC3=C2C=CC(=O)O3)C(O)C(O)C1O	InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)22-9-3-1-2-8-7(9)4-5-11(17)21-8/h1-5,10,12-16,18-20H,6H2
HMDB32985	5-(2-Hydroxyethyl)-4-methylthiazole	CC1=C(CCO)SC=N1	InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
HMDB32986	5-(2-Hydroxyethyl)-4-methylthiazole; Ac	CC(=O)OCCC1=C(C)N=CS1	InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3
HMDB32987	Ipriflavone	CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1	InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
HMDB32980	3,4-Dimethylthiophene	CC1=CSC=C1C	InChI=1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3
HMDB32981	2,3-Diphenylpyrazine	C1=CC=C(C=C1)C1=C(N=CC=N1)C1=CC=CC=C1	InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H
HMDB32982	2,2'-Dithenyl sulfide	C(SCC1=CC=CS1)C1=CC=CS1	InChI=1S/C10H10S3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2
HMDB32983	1-Hydroxy-10-methylacridone	CN1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2O	InChI=1S/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H3
HMDB54892	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-48,54,57,66H,4-8,10-11,13-15,22-24,31-33,40-42,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,57-54-
HMDB54893	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-48,52,54-55,57,66H,4-8,10-11,13-15,22-24,31-33,40-42,49-51,53,56,58-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,57-54-
HMDB54890	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,52,55,66H,4-6,8,11,13-15,22-24,31-33,40-42,49-51,53-54,56-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-
HMDB54891	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-7,9-10,12-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB32988	5-Hydroxymaltol	CC1=C(O)C(=O)C(O)=CO1	InChI=1S/C6H6O4/c1-3-5(8)6(9)4(7)2-10-3/h2,7-8H,1H3
HMDB32989	4-Methylumbelliferyl acetate	CC(=O)OC1=CC=C2C(C)=CC(=O)OC2=C1	InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
HMDB54894	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-36,40-41,43-44,50,53,62H,4-7,10,13-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-
HMDB54895	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-36,40-45,50,53,62H,4-7,10,13-15,22-24,30-31,37-39,46-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,53-50-
HMDB08859	PE(14:1(9Z)/18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,35H,3-9,11,13-34,38H2,1-2H3,(H,41,42)/b12-10-/t35-/m1/s1
HMDB08858	PE(14:1(9Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C35H66NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12-13,15,33H,3-9,11,14,16-32,36H2,1-2H3,(H,39,40)/b12-10-,15-13-/t33-/m1/s1
HMDB08853	PE(14:0/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17,29,32,36H,3-15,18-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b17-16-,32-29-/t36-/m1/s1
HMDB08852	PE(14:0/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h13,15,29,32,36H,3-12,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b15-13-,32-29-/t36-/m1/s1
HMDB08851	PE(14:0/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1
HMDB08850	PE(14:0/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C35H70NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-34(33-43-44(38,39)42-31-29-36)32-41-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h27,30,34H,3-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b30-27-/t34-/m1/s1
HMDB08857	PE(14:1(9Z)/16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10-/t33-/m1/s1
HMDB08856	PE(14:1(9Z)/15:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C34H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)43-32(31-42-44(38,39)41-29-28-35)30-40-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,32H,3-9,11,13-31,35H2,1-2H3,(H,38,39)/b12-10-/t32-/m1/s1
HMDB08855	PE(14:1(9Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C33H62NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,31H,3-8,13-30,34H2,1-2H3,(H,37,38)/b11-9-,12-10-/t31-/m1/s1
HMDB08854	PE(14:1(9Z)/14:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C33H64NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,31H,3-8,10,12-30,34H2,1-2H3,(H,37,38)/b11-9-/t31-/m1/s1
HMDB50457	TG(20:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,34,37,54H,4-16,18-19,22-23,28,30-33,35-36,38-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,37-34-
HMDB58844	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,66,70,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB09188	PE(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,21,23,37H,3-4,6,8-10,12,15,19-20,22,24-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-,23-21-/t37-/m1/s1
HMDB09189	PE(18:4(6Z,9Z,12Z,15Z)/18:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,39H,3-4,6,8-10,12,14-16,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-,25-23-/t39-/m1/s1
HMDB09186	PE(18:4(6Z,9Z,12Z,15Z)/15:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H68NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21-22,36H,3-4,6,8-10,12,14-16,19-20,23-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-,22-21-/t36-/m1/s1
HMDB09187	PE(18:4(6Z,9Z,12Z,15Z)/16:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,37H,3-4,6,8-10,12,14-16,19-20,22,24-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-,23-21-/t37-/m1/s1
HMDB09184	PE(18:4(6Z,9Z,12Z,15Z)/14:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20-21,35H,3-4,6,8-10,12,14-15,18-19,22-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,17-16-,21-20-/t35-/m1/s1
HMDB09185	PE(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H64NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,20-21,35H,3-4,6,8-9,14-15,18-19,22-34,38H2,1-2H3,(H,41,42)/b7-5-,12-10-,13-11-,17-16-,21-20-/t35-/m1/s1
HMDB09182	PE(18:3(9Z,12Z,15Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,33,36,40H,3-5,7,9-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,36-33-/t40-/m1/s1
HMDB09183	PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,33,36,40H,3-5,7,9-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,36-33-/t40-/m1/s1
HMDB09180	PE(18:3(9Z,12Z,15Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,31,34,38H,3-4,6,8-10,12,14-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b7-5-,13-11-,19-17-,34-31-/t38-/m1/s1
HMDB09181	PE(18:3(9Z,12Z,15Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,33,36,40H,3-5,7,9-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,20-18-,36-33-/t40-/m1/s1
HMDB50451	TG(20:1(11Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,53H,4-14,16-17,19-23,25,27-52H2,1-3H3/b18-15-,26-24-
HMDB29203	hesperetin-7-O-glucuronide	COC1=CC=C(C=C1O)C1COC2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1	InChI=1S/C21H22O12/c1-29-12-3-2-8(4-10(12)22)14-7-30-18-11(23)5-9(6-13(18)32-14)31-21-17(26)15(24)16(25)19(33-21)20(27)28/h2-6,14-17,19,21-26H,7H2,1H3,(H,27,28)
HMDB29202	hesperetin 3'-O-sulfate	COC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)
HMDB29201	Hafnium	[Hf]	InChI=1S/Hf
HMDB29200	Ferulic acid 4-sulfate	COC1=CC(C=CC(O)=O)=CC=C1OS(O)(=O)=O	InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+
HMDB29207	lysoPC(6:0)	[H][C@@](O)(COC(=O)CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1
HMDB29206	lysoPC(28:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C36H74NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(39)42-33-35(38)34-44-45(40,41)43-32-31-37(2,3)4/h35,38H,5-34H2,1-4H3/t35-/m1/s1
HMDB29205	lysoPC(26:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C34H70NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h33,36H,5-32H2,1-4H3/t33-/m1/s1
HMDB29204	m-Hydroxyphenylpropionic acid sulfate	CCC(O)=O.OS(=O)(=O)OC1=CC=CC([O-])=C1	InChI=1S/C6H6O5S.C3H6O2/c7-5-2-1-3-6(4-5)11-12(8,9)10;1-2-3(4)5/h1-4,7H,(H,8,9,10);2H2,1H3,(H,4,5)/p-1
HMDB48628	TG(16:1(9Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,32,54H,4-6,8-9,11-15,17-18,22,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,32-30-
HMDB48629	TG(16:1(9Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,22,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,32-30-,41-38-
HMDB29209	naringenin-7-O-glucuronide	OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O	InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)
HMDB29208	naringenin-4'-O-glucuronide	OC1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)OC([C@H]1O)C(O)=O	InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16?,17-,18+,19?,21+/m0/s1
HMDB42288	TG(14:0/14:1(9Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2/h13,15-16,18,22-23,47H,4-12,14,17,19-21,24-46H2,1-3H3/b16-13-,18-15-,23-22-
HMDB42289	TG(14:0/14:1(9Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h15-16,18-19,23-24,26-27,48H,4-14,17,20-22,25,28-47H2,1-3H3/b18-15-,19-16-,24-23-,27-26-
HMDB32365	Maltyl isobutyrate	CC(C)C(=O)OC1=C(C)OC=CC1=O	InChI=1S/C10H12O4/c1-6(2)10(12)14-9-7(3)13-5-4-8(9)11/h4-6H,1-3H3
HMDB32367	L-Menthone 1,2-glycerol ketal	COC1=CC=CC=C1C1=NC(SCC2=CC=CC=C2)=NN1	InChI=1S/C16H15N3OS/c1-20-14-10-6-5-9-13(14)15-17-16(19-18-15)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18,19)
HMDB32368	Menthyl pyrrolidone carboxylate	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16-/m1/s1
HMDB32369	L-Menthyl acetoacetate	CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CC(C)=O	InChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m0/s1
HMDB45399	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,33,35,41,44,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,29-26-,35-33-,44-41-
HMDB45398	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,39,42,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,42-39-
HMDB45393	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB45392	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,43,46,58H,4-6,9,12-15,18,21-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB45391	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30,32,35-36,39,41,44,56H,4-6,9,12-15,18,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB45390	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30,32,35,41,44,56H,4-6,9,12-15,18,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,44-41-
HMDB45397	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,30-31,37,40,58H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,40-37-
HMDB45396	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-
HMDB45395	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,9,12-15,18,21-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB45394	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,9,12-15,18,21-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB58415	CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,33-34,36-38,40,75-77,82H,5-26,28-30,32,35,39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,37-33-,38-34-,40-36-/t75?,76-,77-/m1/s1
HMDB09728	PE(24:0/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,47H,3-11,13,15-17,19,21-27,29,31-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,30-28-/t47-/m1/s1
HMDB09729	PE(24:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,34,36,47H,3-11,13,15-17,19,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,30-28-,36-34-/t47-/m1/s1
HMDB09722	PE(24:0/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,45H,3-5,7,9-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-/t45-/m1/s1
HMDB09723	PE(24:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,30,32,45H,3-5,7,9-11,13,15-17,19-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-,32-30-/t45-/m1/s1
HMDB09720	PE(24:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,45H,3-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-/t45-/m1/s1
HMDB09721	PE(24:0/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,30,32,45H,3-11,13,15-17,19-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-,32-30-/t45-/m1/s1
HMDB09726	PE(24:0/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47H,3-11,13,15-17,19,21-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-/t47-/m1/s1
HMDB09727	PE(24:0/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,28,30,34,36,47H,3-17,19,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b20-18-,30-28-,36-34-/t47-/m1/s1
HMDB09724	PE(24:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C49H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h47H,3-46,50H2,1-2H3,(H,53,54)/t47-/m1/s1
HMDB09725	PE(24:0/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,47H,3-17,19,21-46,50H2,1-2H3,(H,53,54)/b20-18-/t47-/m1/s1
HMDB30809	(2R,3S)-Piscidic acid	OC(C(O)=O)C(O)(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)
HMDB30808	(S)-Pinocembrin	OC1=CC2=C(C(=O)CC(O2)C2=CC=CC=C2)C(O)=C1	InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
HMDB37859	5-Ethyl-2-methyloxazole	CCC1=CN=C(C)O1	InChI=1S/C6H9NO/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3
HMDB37858	2-Ethyl-5-methyloxazole	CCC1=NC=C(C)O1	InChI=1S/C6H9NO/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3
HMDB01539	Dimethyl-L-arginine	CN(C)C(=N)NCCC[C@H](N)C(O)=O	InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
HMDB01538	3-Pyridylacetic acid	OC(=O)CC1=CN=CC=C1	InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
HMDB30803	Corymboside	OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1	InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2
HMDB37854	4-Methyl-2-propyloxazole	CCCC1=NC(C)=CO1	InChI=1S/C7H11NO/c1-3-4-7-8-6(2)5-9-7/h5H,3-4H2,1-2H3
HMDB37857	4-Methyl-2-pentyloxazole	CCCCCC1=NC(C)=CO1	InChI=1S/C9H15NO/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-6H2,1-2H3
HMDB37856	2-Methyl-4-pentyloxazole	CCCCCC1=COC(C)=N1	InChI=1S/C9H15NO/c1-3-4-5-6-9-7-11-8(2)10-9/h7H,3-6H2,1-2H3
HMDB30807	3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1H-2-benzopyran-1-one	COC1=CC=C(C=C1O)C1CC2=C(C(=O)O1)C(O)=CC=C2	InChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3
HMDB30806	Petunin	[H]OC1=C([H])C2=C(C([H])=C(OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]2)C2=C([H])C(OC([H])([H])[H])=C(O[H])C(O[H])=C2[H])C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])=C1[H]	InChI=1S/C28H32O17/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33)/p+1
HMDB30805	Pedaliin	COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C(O)=C2)C(O)=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3
HMDB37852	4',5,7-Trihydroxyflavone; 7-O-[b-D-Galactopyranosyl-(1-&gt;4)-b-D-mannopyranoside]	OCC1OC(OC2C(O)C(O)C(OC3=CC4=C(C(O)=C3)C(=O)C=C(O4)C3=CC=C(O)C=C3)OC2CO)C(O)C(O)C1O	InChI=1S/C27H30O15/c28-8-17-20(33)21(34)23(36)27(40-17)42-25-18(9-29)41-26(24(37)22(25)35)38-12-5-13(31)19-14(32)7-15(39-16(19)6-12)10-1-3-11(30)4-2-10/h1-7,17-18,20-31,33-37H,8-9H2
HMDB58847	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,47,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1
HMDB34127	Prunetin	COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC=C(O)C=C1	InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
HMDB40419	Vinaginsenoside R5	CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(50)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-22(38(42)44)61-41-37(34(56)31(53)24(18-49)63-41)65-39-35(57)32(54)25(19-60-39)64-40-36(58)33(55)30(52)23(17-48)62-40/h20-41,48-59H,9-19H2,1-8H3
HMDB40418	Majonoside R2	CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3
HMDB40417	Majonoside R1	CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H72O15/c1-37(2)25(46)10-12-39(5)24-15-20(45)27-19(42(8)14-11-26(57-42)38(3,4)52)9-13-40(27,6)41(24,7)16-21(34(37)39)53-36-33(31(50)29(48)23(18-44)55-36)56-35-32(51)30(49)28(47)22(17-43)54-35/h19-36,43-52H,9-18H2,1-8H3
HMDB40416	Ginsenoside A1	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3
HMDB40415	28-Hydroxymangiferonic acid	CC(CC\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)CO	InChI=1S/C30H46O4/c1-19(7-6-8-20(2)25(33)34)21-11-13-28(5)23-10-9-22-26(3,18-31)24(32)12-14-29(22)17-30(23,29)16-15-27(21,28)4/h8,19,21-23,31H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8-
HMDB40414	(3beta,24(241)Z)-24-Ethylidenelanost-9(11)-en-3-ol	C\C=C(\CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C)C(C)C	InChI=1S/C32H54O/c1-10-23(21(2)3)12-11-22(4)24-15-19-32(9)26-13-14-27-29(5,6)28(33)17-18-30(27,7)25(26)16-20-31(24,32)8/h10,16,21-22,24,26-28,33H,11-15,17-20H2,1-9H3/b23-10-
HMDB40413	3-(Methylthio)propanoic acid, 9CI; Et ester	CCOC(=O)CCSC	InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3
HMDB40412	1,2-Propanediol, 9CI; ()-form, Dibenzoyl	CC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1	InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
HMDB40411	3-Phenylpropanoic acid; Et ester	CCOC(=O)CCC1=CC=CC=C1	InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
HMDB40410	3-Mercaptopropanoic acid, 9CI; Et ester	CCOC(=O)CCS	InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3
HMDB46150	TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,62H,4-6,8,11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-
HMDB46151	TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,49,52,62H,4-6,8,11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,52-49-
HMDB46152	TG(20:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,59H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-58H2,1-3H3/b11-8-,20-17-,29-26-,37-34-
HMDB46153	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,30-27-,39-36-,48-45-
HMDB46154	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,30-27-,41-38-,50-47-
HMDB46155	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,30-27-,43-40-,52-49-
HMDB46156	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,39,42,54H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-,42-39-
HMDB46157	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,35,41,44,56H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,35-32-,44-41-
HMDB46158	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,43,46,58H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-,46-43-
HMDB46159	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,32,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,29-26-,32-27-,37-34-,46-43-
HMDB59387	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,12-13,16,21-28,33-40,45-52,57-64,70-72,74-76,91-93,98H,5-8,10-11,14-15,17-20,29-32,41-44,53-56,65-69,73,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB59386	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,44-46,48-50,53,55-60,62,65,68-70,72,74,89-91,96H,5-8,10,12,14,16-20,29-32,41-43,47,51-52,54,61,63-64,66-67,71,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59381	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,10,12,14,16-20,24,28-32,36,40-42,49-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59380	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-56,58,64,66,68,70,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB47827	TG(14:1(9Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,54H,4-14,17,20-23,25,27-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,32-30-
HMDB47826	TG(14:1(9Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,53H,4-13,16,19-22,24,26-52H2,1-3H3/b17-14-,18-15-,25-23-
HMDB47825	TG(14:1(9Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,33,36,52H,4-14,16,19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b18-15-,20-17-,28-25-,36-33-
HMDB47824	TG(14:1(9Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,29,53H,4-14,16-17,19,21-22,24-26,28,30-52H2,1-3H3/b18-15-,23-20-,29-27-
HMDB47823	TG(14:1(9Z)/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-
HMDB47822	TG(14:1(9Z)/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,56H,4-14,16-17,19-23,25,27-55H2,1-3H3/b18-15-,26-24-
HMDB47821	TG(14:1(9Z)/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,30,32,38,41,54H,4-14,16-17,19-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,26-24-,32-30-,41-38-
HMDB47820	TG(14:1(9Z)/20:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,54H,4-14,16-17,19-23,25,27-53H2,1-3H3/b18-15-,26-24-
HMDB59382	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-38,42-47,52-56,58,64,66,68,70,85-87,92H,5-8,10,12,14,16-20,24,29-31,39-41,48-51,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB47829	TG(14:1(9Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,56H,4-14,17,20-23,25,27-55H2,1-3H3/b18-15-,19-16-,26-24-
HMDB46819	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37-38,41,43,46,52,55,64H,4-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB58614	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-35,37-38,41-45,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,36,39-40,46-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB46818	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,34,36,42,45,51,54,63H,4-14,16,19,21-23,25,28,30-33,35,37-41,43-44,46-50,52-53,55-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,36-34-,45-42-,54-51-
HMDB33578	Aquifoliunine EIII	CC1C(C)C(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(O)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=CC=CN=C13)C2(C)O	InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3
HMDB33579	Aquifoliunine EIV	CC1C(C)C(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(OC(=O)C4=CN=CC=C4)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=CC=CN=C13)C2(C)O	InChI=1S/C42H48N2O18/c1-19-20(2)36(50)61-33-31(56-22(4)46)35(59-25(7)49)41(18-54-21(3)45)34(58-24(6)48)30(60-37(51)26-12-10-14-43-16-26)28-32(57-23(5)47)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3
HMDB48046	TG(14:1(9Z)/24:1(15Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h14-15,17-18,23-24,52H,4-13,16,19-22,25-51H2,1-3H3/b17-14-,18-15-,24-23-
HMDB33572	1,3,14,20-Tetrahydroxywitha-5,24-dienolide; (1a,3b,14a,20R,22R)-form, 3-O-b-D-Glucopyranoside, 1-Ac	CC(=O)OC1CC(CC2=CCC3C(CCC4(C)C(CCC34O)C(C)(O)C3CC(C)=C(C)C(=O)O3)C12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H54O12/c1-17-13-27(48-31(42)18(17)2)35(6,43)25-10-12-36(44)23-8-7-20-14-21(46-32-30(41)29(40)28(39)24(16-37)47-32)15-26(45-19(3)38)34(20,5)22(23)9-11-33(25,36)4/h7,21-30,32,37,39-41,43-44H,8-16H2,1-6H3
HMDB33573	3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide; (3b,20R,22R)-form, 3-O-b-D-Glucopyranoside	CC1=C(CO)C(=O)OC(C1)C(C)(O)C1CCC2C3CC=C4CC(CC(=O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C34H50O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h5,18-19,21-24,26-29,31,35-36,38-40,42H,6-15H2,1-4H3
HMDB33570	QS 21	CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O	InChI=1S/C92H148O46/c1-13-36(3)46(126-54(102)25-41(98)24-47(37(4)14-2)127-80-62(110)58(106)49(30-94)128-80)23-40(97)26-55(103)131-69-39(6)125-82(73(65(69)113)136-79-64(112)60(108)68(38(5)124-79)132-78-67(115)70(45(100)32-122-78)133-84-75(116)91(120,34-96)35-123-84)138-85(119)92-22-21-86(7,8)27-43(92)42-15-16-51-87(9)19-18-53(88(10,33-95)50(87)17-20-89(51,11)90(42,12)28-52(92)101)130-83-74(137-81-63(111)59(107)57(105)48(29-93)129-81)71(66(114)72(135-83)76(117)118)134-77-61(109)56(104)44(99)31-121-77/h15,33,36-41,43-53,56-75,77-84,93-94,96-101,104-116,120H,13-14,16-32,34-35H2,1-12H3,(H,117,118)
HMDB33571	6-beta-D-Glucopyranosyl-8-beta-D-ribopyranosylapigenin	OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OCC(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1	InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2
HMDB33576	7-Azaindolizine	C1=CN2C=CN=CC2=C1	InChI=1S/C7H6N2/c1-2-7-6-8-3-5-9(7)4-1/h1-6H
HMDB33577	10-Undecen-2-one	CC(=O)CCCCCCCC=C	InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3
HMDB33574	(1R,2R,4R,8R)-p-Menthane-2,8,9-triol	CC1CCC(CC1O)C(C)(O)CO	InChI=1S/C10H20O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h7-9,11-13H,3-6H2,1-2H3
HMDB33575	QS 18	CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O	InChI=1S/C98H158O51/c1-13-37(3)47(135-56(109)25-42(105)24-48(38(4)14-2)136-84-65(118)61(114)51(31-101)137-84)23-41(104)26-57(110)141-72-39(5)134-88(78(68(72)121)147-87-71(124)76(145-85-66(119)62(115)59(112)49(29-99)138-85)73(40(6)133-87)142-83-70(123)74(46(107)33-131-83)143-90-80(125)97(129,35-103)36-132-90)149-91(128)98-22-21-92(7,8)27-44(98)43-15-16-53-93(9)19-18-55(94(10,34-102)52(93)17-20-95(53,11)96(43,12)28-54(98)108)140-89-79(148-86-67(120)63(116)60(113)50(30-100)139-86)75(69(122)77(146-89)81(126)127)144-82-64(117)58(111)45(106)32-130-82/h15,34,37-42,44-55,58-80,82-90,99-101,103-108,111-125,129H,13-14,16-33,35-36H2,1-12H3,(H,126,127)
HMDB43599	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,41,44,53H,4-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-,44-41-
HMDB58846	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB43598	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,31,34,40,43,52H,4-15,17-18,20-24,27,30,32-33,35-39,41-42,44-51H2,1-3H3/b19-16-,26-25-,29-28-,34-31-,43-40-
HMDB34032	2,3-Dihydro-7-hydroxy-2,2-dimethyl-4-oxo-4H-1-benzopyran-6-propanoic acid; O-b-D-Glucopyranoside	CC1(C)CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C(CCC(O)=O)=C2	InChI=1S/C20H26O10/c1-20(2)7-11(22)10-5-9(3-4-15(23)24)12(6-13(10)30-20)28-19-18(27)17(26)16(25)14(8-21)29-19/h5-6,14,16-19,21,25-27H,3-4,7-8H2,1-2H3,(H,23,24)
HMDB31041	(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne	C\C=C/C#CC#CC\C=C\CCCCCC=C	InChI=1S/C17H22/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,15,17H,1,5,7,9,11,13,16H2,2H3/b6-4-,17-15+
HMDB31042	Avocadene	OCC(O)CC(O)CCCCCCCCCCCC=C	InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2
HMDB34031	3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate	CCCCCCCCCCC(=O)OCC(O)COC\C=C\CCCC	InChI=1S/C21H40O4/c1-3-5-7-9-10-11-12-14-16-21(23)25-19-20(22)18-24-17-15-13-8-6-4-2/h13,15,20,22H,3-12,14,16-19H2,1-2H3/b15-13+
HMDB34036	Pitheduloside I	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CC1O)C(O)=O	InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)
HMDB31045	16-Heptadecene-1,2,4-triol, 9CI; (2S,4S)-form, 4-Ac	CC(=O)OC(CCCCCCCCCCCC=C)CC(O)CO	InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(23-17(2)21)15-18(22)16-20/h3,18-20,22H,1,4-16H2,2H3
HMDB31046	(Z)-9-Heptadecenoic acid	CCCCCCC\C=C\CCCCCCCC(O)=O	InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8+
HMDB31047	16-Heptadecyne-1,2,4-triol, 9CI; (2S,4S)-form, 2-Ac	CC(=O)OC(CO)CC(O)CCCCCCCCCCCC#C	InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h1,18-20,22H,4-16H2,2H3
HMDB31048	16-Heptadecyne-1,2,4-triol, 9CI; (2S,4S)-form, 1-Ac	CC(=O)OCC(O)CC(O)CCCCCCCCCCCC#C	InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3
HMDB31049	16-Heptadecyne-1,2,4-triol, 9CI; (2S,4S)-form, 4-Ac	CC(=O)OC(CCCCCCCCCCCC#C)CC(O)CO	InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(23-17(2)21)15-18(22)16-20/h1,18-20,22H,4-16H2,2H3
HMDB34038	Palmidin A	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O	InChI=1S/C30H22O8/c1-12-5-16-24(18-9-14(32)10-22(36)28(18)30(38)26(16)20(34)6-12)23-15-3-2-4-19(33)25(15)29(37)27-17(23)7-13(11-31)8-21(27)35/h2-10,23-24,31-36H,11H2,1H3
HMDB34039	Dolineone	O=C1C2C(COC3=CC4=C(OCO4)C=C23)OC2=CC3=C(C=CO3)C=C12	InChI=1S/C19H12O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6,17-18H,7-8H2
HMDB43595	TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-
HMDB44426	TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,37,40,58H,4-15,17-18,20-24,29,31,33-36,38-39,41-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,40-37-
HMDB44427	TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,36-37,40,42,45,58H,4-15,17-18,20-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB44424	TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,35,38,56H,4-15,17-18,21-22,24,26,28,31-34,36-37,39-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,38-35-
HMDB43594	TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,41,44,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-
HMDB44422	TG(16:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,34,52H,4-14,17,20-23,26,29-30,32-33,35-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,34-31-
HMDB44423	TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,28-29,33,36,54H,4-15,17-18,21-22,24,27,30-32,34-35,37-53H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,36-33-
HMDB44420	TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,39,42,60H,4-16,18-19,21-25,27,29-31,33,35-38,40-41,43-59H2,1-3H3/b20-17-,28-26-,34-32-,42-39-
HMDB44421	TG(16:0/22:4(7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,41,44,62H,4-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b20-17-,28-26-,36-33-,44-41-
HMDB43593	TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-
HMDB44428	TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,39,42,60H,4-16,18-19,21-24,29-31,33,35-38,40-41,43-59H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,42-39-
HMDB43592	TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-37,39,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-
HMDB36892	11beta-Hydroxygibberellin A7	[H][C@]12[C@H](C(O)=O)[C@@]34C[C@@H](C[C@H](O)[C@@]3([H])[C@@]11OC(=O)[C@@]2(C)[C@@H](O)C=C1)C(=C)C4	InChI=1S/C19H22O6/c1-8-6-18-7-9(8)5-10(20)13(18)19-4-3-11(21)17(2,16(24)25-19)14(19)12(18)15(22)23/h3-4,9-14,20-21H,1,5-7H2,2H3,(H,22,23)/t9-,10+,11+,12-,13-,14-,17+,18-,19-/m1/s1
HMDB36893	Gibberellin A75	CC12C3C(C(O)=O)C45CC(O)(CCC4C3(CC(O)C1O)OC2=O)C(=C)C5O	InChI=1S/C19H24O8/c1-7-12(21)18-6-17(7,26)4-3-9(18)19-5-8(20)13(22)16(2,15(25)27-19)11(19)10(18)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)
HMDB36890	Gibberellin A72	CC12C3C(C(O)=O)C45CC(O)(CCC4C3(CCC1O)OC2=O)C(=C)C5O	InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)5-3-9(18)19-6-4-10(20)16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)
HMDB36891	Gibberellin A22	OCC12C=CCC3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O6/c1-10-7-17-8-18(10,24)6-3-11(17)19-5-2-4-16(9-20,15(23)25-19)13(19)12(17)14(21)22/h2,4,11-13,20,24H,1,3,5-9H2,(H,21,22)
HMDB36896	Gibberellin A19	CC1(CCCC2(C=O)C3CCC4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O	InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)
HMDB36897	Gibberellin A17	CC1(CCCC2(C3CCC4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)
HMDB36894	Gibberellin A64	CC12CCCC3(COC1=O)C1CCC4CC1(C(O)C4=C)C(C23)C(O)=O	InChI=1S/C20H26O5/c1-10-11-4-5-12-19-7-3-6-18(2,17(24)25-9-19)14(19)13(16(22)23)20(12,8-11)15(10)21/h11-15,21H,1,3-9H2,2H3,(H,22,23)
HMDB36895	Gibberellin A53	CC12CCCC(C)(C1C(C(O)=O)C13CC(=C)C(O)(C1)CCC23)C(O)=O	InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)
HMDB36898	Gibberellin A76	CC12CC(O)CC3(OC1=O)C1CCC4(O)CC1(C(O)C4=C)C(C23)C(O)=O	InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)4-3-10(18)19-6-9(20)5-16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)
HMDB36899	Gibberellin A65	CC1(CCCC2(C=O)C3CCC4CC3(C(O)C4=C)C(C12)C(O)=O)C(O)=O	InChI=1S/C20H26O6/c1-10-11-4-5-12-19(9-21)7-3-6-18(2,17(25)26)14(19)13(16(23)24)20(12,8-11)15(10)22/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)
HMDB43735	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34-36,38,42,44-45,47,57H,4-7,9-10,12-15,18,21-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-
HMDB39545	Ginsenoside F2	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3
HMDB39544	Ginsenoside Rh2	CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3
HMDB39547	Gynosaponin S	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23-43,49-60H,9,11-21H2,1-8H3
HMDB39546	Ginsenoside Rg3	CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3
HMDB39541	Typhaneoside	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C34H42O20/c1-10-20(38)24(42)27(45)32(49-10)48-9-18-22(40)26(44)31(54-33-28(46)25(43)21(39)11(2)50-33)34(52-18)53-30-23(41)19-15(37)7-13(35)8-17(19)51-29(30)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,31-40,42-46H,9H2,1-3H3
HMDB39540	Cerebronic acid	CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O	InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23,25H,2-22H2,1H3,(H,26,27)
HMDB39543	Cynarasaponin C	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H66O14/c1-19-10-15-42(37(52)56-35-31(48)28(45)27(44)22(18-43)53-35)17-16-40(6)21(26(42)20(19)2)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)54-36-32(49)29(46)30(47)33(55-36)34(50)51/h8,19-20,22-33,35-36,43-49H,9-18H2,1-7H3,(H,50,51)
HMDB39542	Olitoriusin	CC1OC(CC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C41H62O19/c1-18-35(60-37-34(51)32(49)30(47)26(59-37)16-55-36-33(50)31(48)29(46)25(14-42)58-36)24(44)12-28(56-18)57-20-3-8-39(17-43)22-4-7-38(2)21(19-11-27(45)54-15-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,17-18,20-26,28-37,42,44,46-53H,3-10,12-16H2,1-2H3
HMDB43733	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,36,42,45,57H,4-7,9-10,12-15,18,21-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-34-,45-42-
HMDB39549	Gynosaponin I	CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3
HMDB39548	Ginsenoside Rs1	CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)39(63)31(75-49)23-72-47-43(67)36(60)28(59)21-71-47)26-12-17-54(8)35(26)27(58)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)37(61)29(20-56)73-50)77-48-44(68)40(64)38(62)30(74-48)22-70-25(3)57/h11,26-50,56,58-69H,10,12-23H2,1-9H3
HMDB43732	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,39-40,42-43,55H,4-7,9-10,12-15,18,21-24,29-30,35-38,41,44-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB38498	Polyporusterone E	CC(C)C(C)C1OC1C(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H44O5/c1-14(2)15(3)24-25(33-24)16(4)17-8-10-28(32)19-11-21(29)20-12-22(30)23(31)13-26(20,5)18(19)7-9-27(17,28)6/h11,14-18,20,22-25,30-32H,7-10,12-13H2,1-6H3
HMDB38499	Polyporusterone F	CC(C)C(C)CC(O)C(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H46O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15-19,21-22,24-25,29,31-33H,7-11,13-14H2,1-6H3
HMDB43731	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,40,43,55H,4-7,9-10,12-15,18,21-24,29-30,35-39,41-42,44-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,43-40-
HMDB38490	Bifurcose	OCC1OC(CO)(OCC2OC(COC3(CO)OC(CO)C(O)C3O)(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-40-23(6-29)19(37)14(32)10(3-27)43-23)20(38)15(33)11(44-24)4-39-22(5-28)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2
HMDB38491	L-Altruronic acid	OC(C=O)C(O)C(O)C(O)C(O)=O.OC(C1OC(O)C(O)C1O)C(O)=O.OC1OC(C(O)C(O)C1O)C(O)=O	InChI=1S/3C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;7-1-2(8)4(5(10)11)13-6(12)3(1)9;7-1-2(8)3(9)4(10)5(11)6(12)13/h2*1-4,6-9,12H,(H,10,11);1-5,8-11H,(H,12,13)
HMDB38492	D-Vacciniin	OC(COC(=O)C1=CC=CC=C1)C(O)C(O)C(O)C=O.OC(COC(=O)C1=CC=CC=C1)C1OC(O)C(O)C1O.OC1OC(COC(=O)C2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/3C13H16O7/c14-8(11-9(15)10(16)13(18)20-11)6-19-12(17)7-4-2-1-3-5-7;14-9-8(20-13(18)11(16)10(9)15)6-19-12(17)7-4-2-1-3-5-7;14-6-9(15)11(17)12(18)10(16)7-20-13(19)8-4-2-1-3-5-8/h2*1-5,8-11,13-16,18H,6H2;1-6,9-12,15-18H,7H2
HMDB38493	N-(1-Deoxy-1-fructosyl)proline	OCC(O)C(O)C(O)C(=O)CN1CCCC1C(O)=O.OCC1OC(O)(CN2CCCC2C(O)=O)C(O)C1O.OC1COC(O)(CN2CCCC2C(O)=O)C(O)C1O	InChI=1S/3C11H19NO7/c13-7-4-19-11(18,9(15)8(7)14)5-12-3-1-2-6(12)10(16)17;13-4-7-8(14)9(15)11(18,19-7)5-12-3-1-2-6(12)10(16)17;13-5-8(15)10(17)9(16)7(14)4-12-3-1-2-6(12)11(18)19/h2*6-9,13-15,18H,1-5H2,(H,16,17);6,8-10,13,15-17H,1-5H2,(H,18,19)
HMDB38494	Americanol	OC\C=C\C1=CC2=C(O[C@@H]([C@@H](CO)O2)C2=CC(O)=C(O)C=C2)C=C1	InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s1
HMDB38495	Polyporusterone A	CC(C)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3
HMDB38496	Polyporusterone B	CC(C)C(=C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H44O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15,17,19,21-24,30-34H,3,7-11,13-14H2,1-2,4-6H3
HMDB38497	Polyporusterone C	CC(C)C(C)C1OC1C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H44O6/c1-14(2)15(3)23-24(34-23)27(6,32)22-8-10-28(33)17-11-19(29)18-12-20(30)21(31)13-25(18,4)16(17)7-9-26(22,28)5/h11,14-16,18,20-24,30-33H,7-10,12-13H2,1-6H3
HMDB42701	TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,33,36,54H,4-15,17-18,20-23,27,31-32,34-35,37-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,36-33-
HMDB42700	TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,28-29,33,36,54H,4-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b19-16-,23-20-,26-24-,29-28-,36-33-
HMDB42703	TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38,40,43,56H,4-15,17-18,20-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB42702	TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,35,38,56H,4-15,17-18,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,38-35-
HMDB42705	TG(14:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,35,39,42,60H,4-16,18-19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b20-17-,26-24-,27-25-,35-32-,42-39-
HMDB09254	PE(20:1(11Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16-18,39H,3-13,15,19-38,42H2,1-2H3,(H,45,46)/b16-14-,18-17-/t39-/m1/s1
HMDB42707	TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,33,35-36,38,54H,4-15,18,21-23,27,31-32,34,37,39-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-
HMDB42706	TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-31,34,37,55H,4-15,17-18,21-22,25,28,32-33,35-36,38-54H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,31-27-,37-34-
HMDB42709	TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,56H,4-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB42708	TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,29-30,34,37,55H,4-13,15,18,20-22,27-28,31-33,35-36,38-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,30-29-,37-34-
HMDB09255	PE(20:1(11Z)/18:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,41H,3-16,18,20-40,44H2,1-2H3,(H,47,48)/b19-17-/t41-/m1/s1
HMDB09258	PE(20:1(11Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,41H,3-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-/t41-/m1/s1
HMDB09259	PE(20:1(11Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,26,28,41H,3-11,13,15-16,20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,28-26-/t41-/m1/s1
HMDB48047	TG(14:1(9Z)/24:1(15Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,20,23-25,54H,4-14,16-17,19,21-22,26-53H2,1-3H3/b18-15-,23-20-,25-24-
HMDB55731	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB46811	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,33,35-36,41,44,50,53,62H,4-16,18-19,21-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB01007	3-Pyridinebutanoic acid	OC(=O)CCCC1=CC=CN=C1	InChI=1S/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12)
HMDB57419	CL(16:1(9Z)/16:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-26,29-30,69-71,76H,5-24,27-28,31-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-/t69?,70-,71-/m1/s1
HMDB57418	CL(16:1(9Z)/16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,28-29,32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB04031	11b-Hydroxyprogesterone	[H][C@@]12CC[C@H](C(O)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C20H28O4/c1-19-8-7-12(21)9-11(19)3-4-13-14-5-6-15(18(23)24)20(14,2)10-16(22)17(13)19/h9,13-17,22H,3-8,10H2,1-2H3,(H,23,24)/t13-,14-,15+,16+,17+,19-,20-/m0/s1
HMDB46810	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,33,35,41,44,50,53,62H,4-16,18-19,22-23,25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,24-21-,29-26-,35-33-,44-41-,53-50-
HMDB37079	Ellagic acid, INN; 3-Me ether, 8-O-a-L-rhamnopyranoside	COC1=C(O)C=C2C(=O)OC3=C(OC4OC(C)C(O)C(O)C4O)C(O)=CC4=C3C2=C1OC4=O	InChI=1S/C21H18O12/c1-5-12(24)13(25)14(26)21(30-5)33-16-9(23)4-7-11-10-6(20(28)32-18(11)16)3-8(22)15(29-2)17(10)31-19(7)27/h3-5,12-14,21-26H,1-2H3
HMDB37078	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; (Z)-form, 3-O-(3-O-Sulfo-b-D-glucopyranoside)	OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(OS(O)(=O)=O)C1O	InChI=1S/C20H22O11S/c21-10-16-17(24)19(31-32(26,27)28)18(25)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-
HMDB37073	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; (E)-form, 3-O-b-D-Glucopyranoside, 4'-O-sulfate	OCC1OC(OC2=CC(\C=C/C3=CC=C(OS(O)(=O)=O)C=C3)=CC(O)=C2)C(O)C(O)C1O	InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-15-8-12(7-13(22)9-15)2-1-11-3-5-14(6-4-11)31-32(26,27)28/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-
HMDB37072	2-Acetyl-6-methylpyridine	CC(=O)C1=NC(C)=CC=C1	InChI=1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3
HMDB37071	2-Acetyl-4-methylpyridine	CC(=O)C1=NC=CC(C)=C1	InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3
HMDB37070	Sporol	CC12CC3CC1(CO)OC1(CC4(C)CCC21CO4)O3	InChI=1S/C15H22O4/c1-11-3-4-13(9-17-11)12(2)5-10-6-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3
HMDB37077	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; (E)-form, 3-O-(6-O-Sulfo-b-D-glucopyranoside)	OC1C(COS(O)(=O)=O)OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(O)C1O	InChI=1S/C20H22O11S/c21-13-5-3-11(4-6-13)1-2-12-7-14(22)9-15(8-12)30-20-19(25)18(24)17(23)16(31-20)10-29-32(26,27)28/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-
HMDB37076	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; (E)-form, 3-O-(4-O-Sulfo-b-D-glucopyranoside)	OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1OS(O)(=O)=O	InChI=1S/C20H22O11S/c21-10-16-19(31-32(26,27)28)17(24)18(25)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-
HMDB37075	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; (E)-form, 3-O-(2-O-Sulfo-b-D-glucopyranoside)	OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(OS(O)(=O)=O)C(O)C1O	InChI=1S/C20H22O11S/c21-10-16-17(24)18(25)19(31-32(26,27)28)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-
HMDB37074	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; (E)-form, 3-O-b-D-Glucopyranoside, 5-O-sulfate	OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(OS(O)(=O)=O)=C2)C(O)C(O)C1O	InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-14-7-12(8-15(9-14)31-32(26,27)28)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-
HMDB57416	CL(16:1(9Z)/16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-27,30-31,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,28-29,32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB08440	PC(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,32,34,46H,6-13,18-19,24-25,27,29-31,33,35-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1
HMDB08441	PC(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26-29,32-35,46H,6-13,15,17-19,24-25,30-31,36-45H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08442	PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32,34,46H,6-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1
HMDB08443	PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,46H,6-13,18-19,24-25,30-31,36-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08444	PC(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32,34,46H,6-8,10,12-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1
HMDB08445	PC(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,46H,6-8,10,12-13,18-19,24-25,30-31,36-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08446	PC(20:4(5Z,8Z,11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,34,36,48H,6-14,16,18-20,22,24-27,29,31-33,35,37-47H2,1-5H3/b17-15-,23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08447	PC(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,48H,6-14,16,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b17-15-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08448	PC(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,28,30,34,36,48H,6-13,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,30-28-,36-34-/t48-/m1/s1
HMDB08449	PC(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33-34,36,48H,6-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1
HMDB57414	CL(16:1(9Z)/16:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C76H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-27,29-31,34-35,70-72,77H,5-24,28,32-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,31-27-,35-34-/t70?,71-,72-/m1/s1
HMDB55296	TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-33,37-38,40-41,58H,4-7,10,13-15,22-24,29,34-36,39,42-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-
HMDB48318	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,38,41,54H,4-6,9,12-14,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB52838	TG(18:2(9Z,12Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-34,38,41,47,50,60H,4-15,17-18,21-22,24,26-27,30-31,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,23-20-,28-25-,33-32-,34-29-,41-38-,50-47-
HMDB48319	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,56H,4-6,9,12-14,21-23,28,30,32,36,38-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-
HMDB52836	TG(18:2(9Z,12Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,34,60H,4-15,17-18,21-22,24,26-27,30-33,35-59H2,1-3H3/b19-16-,23-20-,28-25-,34-29-
HMDB52837	TG(18:2(9Z,12Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-34,38,41,60H,4-15,17-18,21-22,24,26-27,30-31,35-37,39-40,42-59H2,1-3H3/b19-16-,23-20-,28-25-,33-32-,34-29-,41-38-
HMDB52834	TG(18:2(9Z,12Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,36,58H,4-15,17-18,21-22,24,26-27,30-31,34-35,37-57H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,36-33-
HMDB52835	TG(18:2(9Z,12Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,36,42,45,58H,4-15,17-18,21-22,24,26-27,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,36-33-,45-42-
HMDB52832	TG(18:2(9Z,12Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h18-19,21-22,27-28,30-31,36,39,56H,4-17,20,23-26,29,32-35,37-38,40-55H2,1-3H3/b21-18-,22-19-,30-27-,31-28-,39-36-
HMDB52833	TG(18:2(9Z,12Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-57(62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,29,32,57H,4-12,14-15,17-19,21,24,26-28,30-31,33-56H2,1-3H3/b16-13-,23-20-,25-22-,32-29-
HMDB52830	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,33-32-,34-29-,41-38-,50-47-
HMDB52831	TG(18:2(9Z,12Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-57(62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,28-29,31-32,57H,4-18,21,24-27,30,33-56H2,1-3H3/b22-19-,23-20-,31-28-,32-29-
HMDB46815	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,37,41,47,50,56,59,68H,4-17,19-20,22-24,26,29,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b21-18-,28-25-,30-27-,41-37-,50-47-,59-56-
HMDB57500	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h27-28,31-36,71-73,78H,5-26,29-30,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB55732	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-
HMDB46814	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,45,48,54,57,66H,4-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b21-18-,28-25-,30-27-,39-36-,48-45-,57-54-
HMDB51208	TG(20:3(5Z,8Z,11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,38-41,43,45,48,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB51209	TG(20:3(5Z,8Z,11Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB48316	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,33,36,52H,4-6,9,12-14,21-23,27,30,32,34-35,37-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-
HMDB51205	TG(20:3(5Z,8Z,11Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32-34,36-38,41-42,45,58H,4-8,10-11,13-16,19,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB48317	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,54H,4-6,9,12-14,21-23,28-29,34-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB13989	O-Desmethylnaproxen	CC(C(O)=O)C1=CC2=C(C=C1)C=C(O)C=C2	InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)
HMDB13988	N-Deschlorobenzoyl indomethacin	COC1=CC2=C(NC(C)=C2CC(O)=O)C=C1	InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)
HMDB36308	Ganoderic acid xi	CC(CC(O)\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-18,21-22,31,34H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+
HMDB36309	Ganoderic acid eta	CC(CC(O)\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h11,14,16-20,25,31-33,36H,8-10,12-13H2,1-7H3,(H,37,38)/b15-11+
HMDB36302	ent-16beta-Methoxy-19-kauranoic acid	COC1(C)CC23CC1CCC2C1(C)CCCC(C)(C1CC3)C(O)=O	InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23)
HMDB36303	Epicatechin-(4beta-&gt;8)-gallocatechin	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1	InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2
HMDB36300	Cyclopassifloside VII	CC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C37H62O13/c1-18(2)36(48,17-39)12-10-33(5,47)28-19(40)14-32(4)21-7-8-22-34(6,30(46)50-29-27(45)26(44)25(43)20(15-38)49-29)23(41)13-24(42)37(22)16-35(21,37)11-9-31(28,32)3/h18-29,38-45,47-48H,7-17H2,1-6H3
HMDB36301	N-gamma-L-Glutamyl-D-alanine	CC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)
HMDB36306	Ganoderic acid delta	CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+
HMDB36307	Ganoderic acid epsilon	CC(CC(O)\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21-22,31-32,34H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+
HMDB36304	(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol	CC(C)C(C)\C=C\C(C)C1CC=C2C3=C(CCC12C)C1(C)CCC(O)CC11OC1C3O	InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+
HMDB36305	Isotrifoliol	COC1=C2C3=C(C4=CC=C(O)C=C4O3)C(=O)OC2=CC(O)=C1	InChI=1S/C16H10O6/c1-20-11-5-8(18)6-12-14(11)15-13(16(19)22-12)9-3-2-7(17)4-10(9)21-15/h2-6,17-18H,1H3
HMDB51202	TG(20:3(5Z,8Z,11Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,38-41,43,45,48,62H,4-15,17,20,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB34799	Diammonium hydrogen phosphate ((NH4)2HPO4)	[NH4+].[NH4+].OP([O-])([O-])=O	InChI=1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)
HMDB51203	TG(20:3(5Z,8Z,11Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-15,17,20,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB58617	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,41-46,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB34790	Phosphine	P	InChI=1S/H3P/h1H3
HMDB58388	CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,37,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,38-34-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB58389	CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-41,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB55295	TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-33,37,40,58H,4-7,10,13-15,22-24,29,34-36,38-39,41-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-
HMDB58429	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB58428	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58427	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35,37-38,40,42-43,47,55,59,78-80,85H,5-20,22-24,27,29,31,34,36,39,41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,32-28-,37-33-,40-35-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB58382	CL(18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58425	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-38,40-41,76-78,83H,5-24,26,28,30,32-33,35,39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,38-34-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB58424	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,37-38,41,76-78,83H,5-24,26,30,33,35-36,39-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,32-28-,38-34-,41-37-/t76?,77-,78-/m1/s1
HMDB58423	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,36-37,39,74-76,81H,5-24,26,30,33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,32-28-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB58422	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,37-38,41,76-78,83H,5-24,26,28,30,32-33,35-36,39-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,38-34-,41-37-/t76?,77-,78-/m1/s1
HMDB58421	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB47024	TG(24:0/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,34,36,58H,4-7,9-10,12-16,18-19,21-24,26,28-33,35,37-57H2,1-3H3/b11-8-,20-17-,27-25-,36-34-
HMDB34865	Pitheduloside B	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)61-38-35(54)33(52)32(51)26(60-38)21-59-39-36(31(50)25(48)20-58-39)62-37-34(53)30(49)24(47)19-57-37/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)
HMDB34864	2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one	COC1=CC=C2N(O)C(=O)C(O)OC2=C1	InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
HMDB34867	Xanthohumol B	COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C2CC(O)C(C)(C)OC2=C1	InChI=1S/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3/b9-6+
HMDB34866	Pitheduloside F	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C52H84O21/c1-47(2)14-16-52(46(64)65)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)71-45-41(73-43-39(63)36(60)34(58)27(19-53)69-43)37(61)35(59)28(70-45)22-68-44-40(33(57)26(55)21-67-44)72-42-38(62)32(56)25(54)20-66-42/h8,24-45,53-63H,9-22H2,1-7H3,(H,64,65)
HMDB34861	4-(2-Propenyl)-1,2-benzenediol, 9CI; 1-O-b-D-Glucopyranoside	OCC1OC(OC2=C(O)C=C(CC=C)C=C2)C(O)C(O)C1O	InChI=1S/C15H20O7/c1-2-3-8-4-5-10(9(17)6-8)21-15-14(20)13(19)12(18)11(7-16)22-15/h2,4-6,11-20H,1,3,7H2
HMDB34860	Flumiclorac-pentyl	CCCCCOC(=O)COC1=CC(N2C(=O)C3=C(CCCC3)C2=O)=C(F)C=C1Cl	InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3
HMDB34863	4-(4-Hydroxyphenyl)-2-butanone, 9CI; O-b-D-Glucopyranoside	CC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3
HMDB34862	2',4',6'-Trihydroxyacetophenone, 8CI; 2'-Me ether, 6'-O-b-D-glucopyranoside	COC1=C(C(C)=O)C(OC2OC(CO)C(O)C(O)C2O)=CC(O)=C1	InChI=1S/C15H20O9/c1-6(17)11-8(22-2)3-7(18)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3
HMDB34869	Betavulgaroside IX	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(OC7OCC(O)C(O)C7O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C52H80O24/c1-47(2)14-16-52(46(68)76-43-34(61)32(59)31(58)25(19-53)71-43)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-44-36(63)37(35(62)38(74-44)40(64)65)73-45(70-21-29(55)56)39(41(66)67)75-42-33(60)30(57)24(54)20-69-42/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)
HMDB34868	Calendulaglycoside A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-39(67)40(75-44-36(64)33(61)30(58)24(19-55)71-44)41(42(77-47)43(68)69)76-45-37(65)34(62)31(59)25(20-56)72-45/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)
HMDB12168	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)C1CC3	InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h18-20,22-23,25-26,31H,7-17H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1
HMDB12169	4alpha-formyl-5alpha-cholesta-8-en-3beta-ol	CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C=O)C1CC3	InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h17-19,21-24,26,30H,6-16H2,1-5H3/t19?,21-,22?,23?,24?,26-,27+,28-/m0/s1
HMDB12160	4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol	CC(C)CCCC(C)C1CC[C@@]2(CO)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3	InChI=1S/C30H52O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h20-22,25-26,31-32H,8-19H2,1-7H3/t21?,22?,25?,26-,28+,29+,30+/m0/s1
HMDB12161	4-(Glutamylamino) butanoate	N[C@@H](CCC(=O)NCCCC(O)=O)C(O)=O	InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
HMDB12162	4-Methoxytyramine	COC1=C(O)C=C(CCN)C=C1	InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3
HMDB12165	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(C1CC3)C(O)=O	InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/t19?,21?,22?,24?,25-,27+,28+,29-/m0/s1
HMDB12166	4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol	CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H](C1CC3)C(O)=O	InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/t18?,20?,21?,23?,24-,25-,27+,28+/m0/s1
HMDB12167	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)C1CC3	InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1
HMDB53048	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,34-35,41,44,60H,4-7,9-10,12-16,19,22-24,29-33,36-40,42-43,45-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,44-41-
HMDB53049	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,34-35,40-41,43-44,60H,4-7,9-10,12-16,19,22-24,29-33,36-39,42,45-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,44-41-
HMDB29568	N5-Hexanoylspermidine	CCCCCC(=O)N(CCCN)CCCCN	InChI=1S/C13H29N3O/c1-2-3-4-8-13(17)16(12-7-10-15)11-6-5-9-14/h2-12,14-15H2,1H3
HMDB29569	Dibutyl disulfide	CCCCSSCCCC	InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
HMDB29562	N-gamma-L-Glutamyl-L-phenylalanine	NC(CCC(=O)NC(CC1=CC=CC=C1)C(O)=O)C(O)=O	InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)
HMDB29563	3-Acetyl-2,5-dimethylfuran	CC(=O)C1=C(C)OC(C)=C1	InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
HMDB29560	Hesperaline	COC1=C(OC)C=C(C=C1)C(=O)OCC[N+](C)(C)C	InChI=1S/C14H22NO4/c1-15(2,3)8-9-19-14(16)11-6-7-12(17-4)13(10-11)18-5/h6-7,10H,8-9H2,1-5H3/q+1
HMDB29561	(+)-Calycanthine	CN1CCC23C4NC5=C(C=CC=C5)C2(CCN4C)C1NC1=C3C=CC=C1	InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3
HMDB29566	Isopulegone caffeate	CC(=C)C1CCC(COC(=O)\C=C\C2=CC=C(O)C(O)=C2)CC1	InChI=1S/C19H24O4/c1-13(2)16-7-3-15(4-8-16)12-23-19(22)10-6-14-5-9-17(20)18(21)11-14/h5-6,9-11,15-16,20-21H,1,3-4,7-8,12H2,2H3/b10-6+
HMDB29567	Hydroxy-alpha-sanshool	C\C=C/C=C/C=C\CC\C=C\C(=O)NCC(C)(C)O	InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+
HMDB29564	Bufotenine O-glucoside	CN(C)CCC1=CNC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C12	InChI=1S/C18H26N2O6/c1-20(2)6-5-10-8-19-13-4-3-11(7-12(10)13)25-18-17(24)16(23)15(22)14(9-21)26-18/h3-4,7-8,14-19,21-24H,5-6,9H2,1-2H3
HMDB29565	Demethoxyfumitremorgin C	CC(C)=CC1N2C(CC3=C1NC1=C3C=CC=C1)C(=O)N1CCCC1C2=O	InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3
HMDB12299	Ubiquinol-6	COC1=C(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=C1OC	InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+
HMDB12296	Trimethylaminoacetone	CC(=O)C[N+](C)(C)C	InChI=1S/C6H14NO/c1-6(8)5-7(2,3)4/h5H2,1-4H3/q+1
HMDB12295	Trimethyl sulfonium	C[S+](C)C	InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1
HMDB12290	Tetrahydropteroyltri-L-glutamate	NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2)N1	InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/t15-,16-,17-,18-/m0/s1
HMDB57104	CL(18:0/18:1(11Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,75-77,82H,5-24,26-27,30-31,33-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,32-28-/t75?,76-,77-/m1/s1
HMDB57106	CL(18:0/18:1(11Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,75-77,82H,5-24,26,30,33-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-,32-28-/t75?,76-,77-/m1/s1
HMDB00912	Succinyladenosine	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12	InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13+/m0/s1
HMDB00913	Vanillactic acid	COC1=CC(CC(O)C(O)=O)=CC=C1O	InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)
HMDB00910	Tridecanoic acid	CCCCCCCCCCCCC(O)=O	InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
HMDB00916	Uroporphyrin III	OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(O)=O)/C(CCC(O)=O)=C3CC(O)=O	InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
HMDB00917	Ursocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1
HMDB00918	CE(18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1	InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
HMDB52799	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,46,48-49,51,61H,4-6,9,12-15,18,22-23,27,31,33,36,38,41,43-45,47,50,52-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-,51-48-
HMDB52798	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,46,49,61H,4-6,9,12-15,18,22-23,27,31,33,36,38,41,43-45,47-48,50-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-
HMDB52793	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,46,48-49,51,61H,4-7,9-10,12-15,18,22-23,27,31,33,36,38,41,43-45,47,50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-,51-48-
HMDB52792	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,46,49,61H,4-7,9-10,12-15,18,22-23,27,31,33,36,38,41,43-45,47-48,50-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-
HMDB52791	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,35,37,40,46,49,61H,4-7,9-10,12-15,18,22-23,27,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,40-37-,49-46-
HMDB52790	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,33-35,37-38,43-44,46-47,59H,4-7,9-10,12-15,18,22-23,27,31-32,36,39-42,45,48-58H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-
HMDB52797	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-35,37-38,43-44,46-47,59H,4-6,9,12-15,18,22-23,27,31-32,36,39-42,45,48-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-
HMDB52796	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-35,37-38,44,47,59H,4-6,9,12-15,18,22-23,27,31-32,36,39-43,45-46,48-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,47-44-
HMDB52795	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,36-37,40,42,45,57H,4-6,8,11,13-15,17,22,24,26,30,34-35,38-39,41,43-44,46-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-,45-42-
HMDB52794	TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,36,42,45,57H,4-6,8,11,13-15,17,22,24,26,30,34-35,37-41,43-44,46-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,45-42-
HMDB14408	Sulfisoxazole	CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C	InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
HMDB14401	Lymecycline	[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C	InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1
HMDB14400	Diethylstilbestrol	CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
HMDB14405	Cycloserine	N[C@@H]1CONC1=O	InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
HMDB14404	Sulfanilamide	NC1=CC=C(C=C1)S(N)(=O)=O	InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
HMDB14407	Carmustine	ClCCNC(=O)N(CCCl)N=O	InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
HMDB14406	Anagrelide	ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl	InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
HMDB11994	Ganglioside GT1c (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C94H164N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(110)52(98-64(115)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-132-86-76(124)74(122)79(62(44-104)135-86)138-88-77(125)84(80(63(45-105)136-88)139-85-51(35-47(3)106)78(70(118)59(41-101)133-85)137-87-75(123)73(121)69(117)58(40-100)134-87)145-94(91(130)131)38-56(113)67(97-50(6)109)83(144-94)72(120)61(43-103)141-93(90(128)129)37-55(112)66(96-49(5)108)82(143-93)71(119)60(42-102)140-92(89(126)127)36-54(111)65(95-48(4)107)81(142-92)68(116)57(114)39-99/h51-63,65-88,99-105,110-114,116-125H,7-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,115)(H,126,127)(H,128,129)(H,130,131)/t51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83?,84-,85+,86-,87+,88+,92-,93-,94+/m1/s1
HMDB11995	Ganglioside GT1c (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C96H168N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(117)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-78(126)76(124)81(64(46-106)137-88)140-90-79(127)86(82(65(47-107)138-90)141-87-53(37-49(3)108)80(72(120)61(43-103)135-87)139-89-77(125)75(123)71(119)60(42-102)136-89)147-96(93(132)133)40-58(115)69(99-52(6)111)85(146-96)74(122)63(45-105)143-95(92(130)131)39-57(114)68(98-51(5)110)84(145-95)73(121)62(44-104)142-94(91(128)129)38-56(113)67(97-50(4)109)83(144-94)70(118)59(116)41-101/h53-65,67-90,101-107,112-116,118-127H,7-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,117)(H,128,129)(H,130,131)(H,132,133)/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,90+,94-,95-,96+/m1/s1
HMDB06459	Hexacosanoyl-CoA	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/t36-,40-,41-,42+,46-/m1/s1
HMDB06458	D-Lactaldehyde	C[C@@H](O)C=O	InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1
HMDB06455	Arachidonyl carnitine	CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CC(O)=O)C[N+](C)(C)C	InChI=1S/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h13-14,16-17,19-20,22-23,29H,5-12,15,18,21,24-28H2,1-4H3/p+1/b14-13-,17-16-,20-19-,23-22-
HMDB06454	L-2-Amino-3-oxobutanoic acid	CC(=O)[C@H](N)C(O)=O	InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1
HMDB06456	N-Acetyl-L-glutamyl 5-phosphate	CC(=O)N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O	InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1
HMDB55073	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-8,10-11,13-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB55072	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,38,41-42,45,51,54,64H,4-8,10-11,13-15,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB55071	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,40,42-43,45,49,52,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB55070	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,40,43,49,52,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-
HMDB55077	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,52-53,55-56,66H,4-15,22-24,31-33,40-42,49-51,54,57-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-
HMDB55076	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40,43,49,52,63H,4-15,18,21-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB55075	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,8-9,11-15,22-24,31-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB55074	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37-38,43-44,46-47,53,56,66H,4-6,8-9,11-15,22-24,31-33,36,39-42,45,48-52,54-55,57-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,56-53-
HMDB55079	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-45,49,52,62H,4-8,10-11,13-15,22-24,30-31,37-39,46-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-
HMDB55078	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-41,43-44,49,52,62H,4-8,10-11,13-15,22-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-
HMDB11998	Ganglioside GT1c (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C98H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-68(119)102-56(57(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-136-90-80(128)78(126)83(66(48-108)139-90)142-92-81(129)88(84(67(49-109)140-92)143-89-55(39-51(3)110)82(74(122)63(45-105)137-89)141-91-79(127)77(125)73(121)62(44-104)138-91)149-98(95(134)135)42-60(117)71(101-54(6)113)87(148-98)76(124)65(47-107)145-97(94(132)133)41-59(116)70(100-53(5)112)86(147-97)75(123)64(46-106)144-96(93(130)131)40-58(115)69(99-52(4)111)85(146-96)72(120)61(118)43-103/h55-67,69-92,103-109,114-118,120-129H,7-50H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,119)(H,130,131)(H,132,133)(H,134,135)/t55-,56+,57-,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85?,86?,87?,88-,89+,90-,91+,92+,96-,97-,98+/m1/s1
HMDB11999	Ganglioside GT1c (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C100H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h57-69,71-94,105-111,116-120,122-131H,7-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1
HMDB48172	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,39,42,54H,4-14,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB10470	TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,50H,4-15,18,21-23,28-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-
HMDB10471	TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,50H,4-6,8-9,11-15,18,21-23,28-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-/t50-/m0/s1
HMDB10472	TG(18:2(9Z,12Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,36,39,52H,4-15,18,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m1/s1
HMDB10473	TG(18:2(9Z,12Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,52H,4-6,8-9,11-15,18,21-24,29-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-/t52-/m0/s1
HMDB10474	TG(18:2(9Z,12Z)/16:0/20:2(11Z,14Z))[iso6]	[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29,54H,4-15,18,21-24,28,30-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-/t54-/m1/s1
HMDB10475	TG(18:2(9Z,12Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,38,41,54H,4-6,8-9,11-15,18,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1
HMDB10476	TG(18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37,43,46,56H,4-6,8-9,11-15,18,21-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,46-43-/t56-/m1/s1
HMDB10477	TG(18:2(9Z,12Z)/18:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,54H,4-6,8-9,11-15,18,21-24,27,30-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-/t54-/m0/s1
HMDB10478	TG(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-32,36,39,45,48,58H,4-6,8-9,11-15,18,21-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,48-45-/t58-/m1/s1
HMDB10479	TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,54H,4-15,18,22-23,27,30-53H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-
HMDB54302	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-37,42-43,45-46,58H,4-7,10,13-15,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB54303	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-38,41-43,45-46,58H,4-7,10,13-15,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB54300	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB54301	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB54306	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB54307	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB54304	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,44-45,47-48,60H,4-6,8,11,13-15,22-24,31-33,40-43,46,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB54305	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,60H,4-6,8,11,13-15,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB54308	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB54309	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-37,39-41,44-46,48-49,62H,4-6,8-9,11-15,22-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB05432	TG(16:1(9Z)/16:1(9Z)/16:1(9Z))[iso]	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,48H,4-18,25-47H2,1-3H3/b22-19-,23-20-,24-21-
HMDB05433	TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3]	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20-21,23-26,50H,4-19,22,27-49H2,1-3H3/b23-20-,24-21-,26-25-/t50-/m1/s1
HMDB05430	TG(16:1(9Z)/16:1(9Z)/18:0)[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20-21,23-24,50H,4-19,22,25-49H2,1-3H3/b23-20-,24-21-/t50-/m1/s1
HMDB05431	TG(16:1(9Z)/16:1(9Z)/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20-21,23-24,52H,4-19,22,25-51H2,1-3H3/b23-20-,24-21-/t52-/m1/s1
HMDB05436	TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,28,31,36,39,52H,4-15,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m1/s1
HMDB05437	TG(16:1(9Z)/18:1(9Z)/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,54H,4-20,22-23,25,27-28,30-53H2,1-3H3/b24-21-,29-26-/t54-/m1/s1
HMDB05434	TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20-21,23-26,52H,4-19,22,27-51H2,1-3H3/b23-20-,24-21-,26-25-/t52-/m1/s1
HMDB05435	TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3]	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-21,23-26,50H,4-15,17-18,22,27-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25-/t50-/m1/s1
HMDB56810	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB56811	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB05438	TG(16:1(9Z)/18:1(9Z)/18:1(9Z))[iso3]	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,52H,4-20,22-23,29-51H2,1-3H3/b24-21-,27-25-,28-26-/t52-/m1/s1
HMDB05439	TG(16:1(9Z)/18:1(9Z)/20:1(11Z))[iso6]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-27,29,54H,4-20,22-23,28,30-53H2,1-3H3/b24-21-,27-25-,29-26-/t54-/m1/s1
HMDB02428	Terephthalic acid	OC(=O)C1=CC=C(C=C1)C(O)=O	InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
HMDB02429	(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C32H53NO11S/c1-17(4-9-24(34)33-14-15-45(40,41)42)21-7-8-22-20-6-5-18-16-19(10-12-31(18,2)23(20)11-13-32(21,22)3)43-30-27(37)25(35)26(36)28(44-30)29(38)39/h17-23,25-28,30,35-37H,4-16H2,1-3H3,(H,33,34)(H,38,39)(H,40,41,42)/t17-,18-,19?,20+,21-,22+,23+,25+,26+,27-,28+,30-,31+,32-/m1/s1
HMDB56816	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-10,12-14,16-20,24,28-32,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB56817	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB41704	8-Hydroxydihydrodaidzein	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1([H])C(=O)C2=C([H])C([H])=C(O[H])C(O[H])=C2OC1([H])[H]	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-6,11,16-17,19H,7H2
HMDB41705	Caffeic acid 3-O-glucuronide	[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C(O[C@]2([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1
HMDB41706	Caffeic acid 3-sulfate	[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C(OS(=O)(=O)O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C9H8O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+
HMDB41707	Caffeic acid 4-O-glucuronide	[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C(O[H])=C(O[C@]2([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])=C1[H]	InChI=1S/C15H16O10/c16-7-5-6(2-4-9(17)18)1-3-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1
HMDB41700	6-Hydroxyenterolactone	[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])C([H])([H])OC(=O)[C@]1([H])C([H])([H])C1=C([H])C(O[H])=C([H])C([H])=C1O[H]	InChI=1S/C18H18O5/c19-14-3-1-2-11(7-14)6-13-10-23-18(22)16(13)9-12-8-15(20)4-5-17(12)21/h1-5,7-8,13,16,19-21H,6,9-10H2/t13-,16+/m0/s1
HMDB41701	6-O-Methylequol	[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])C([H])([H])OC2=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C2C1([H])[H]	InChI=1S/C16H16O4/c1-19-16-7-11-6-12(9-20-15(11)8-14(16)18)10-2-4-13(17)5-3-10/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1
HMDB41702	7,8,3',4'-Tetrahydroxyisoflavone	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C([H])OC2=C(O[H])C(O[H])=C([H])C([H])=C2C1=O	InChI=1S/C15H10O6/c16-10-3-1-7(5-12(10)18)9-6-21-15-8(13(9)19)2-4-11(17)14(15)20/h1-6,16-18,20H
HMDB41703	7-Hydroxyenterolactone	[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])C([H])([H])OC(=O)[C@]1([H])C([H])(O[H])C1=C([H])C(O[H])=C([H])C([H])=C1[H]	InChI=1S/C18H18O5/c19-14-5-1-3-11(8-14)7-13-10-23-18(22)16(13)17(21)12-4-2-6-15(20)9-12/h1-6,8-9,13,16-17,19-21H,7,10H2/t13-,16-,17?/m0/s1
HMDB41708	Caffeic acid 4-sulfate	[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C(O[H])=C(OS(=O)(=O)O[H])C([H])=C1[H]	InChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+
HMDB41709	Caffeoyl C1-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C15H16O10/c16-7-3-1-6(5-8(7)17)2-4-9(18)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-17,19-21H,(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1
HMDB02783	Sennoside B	[H][C@@]1(C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
HMDB53829	TG(20:3n6/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38-39,41-42,47,50,64H,4-7,9-10,12-16,19,22-24,31-37,40,43-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-
HMDB07492	DG(20:3(8Z,11Z,14Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,43,46H,3-11,13,15-17,19,21-24,26,28-42H2,1-2H3/b14-12-,20-18-,27-25-/t43-/m0/s1
HMDB07493	DG(20:3(8Z,11Z,14Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,43,46H,3-11,13,15-16,21-24,26,28-42H2,1-2H3/b14-12-,19-17-,20-18-,27-25-/t43-/m0/s1
HMDB07490	DG(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,41,44H,3-5,7,9-10,15-16,21-22,27-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1
HMDB07491	DG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,30,32,41,44H,3-5,7,9-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1
HMDB07496	DG(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t43-/m0/s1
HMDB07497	DG(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,43,46H,3-4,6,8-10,15-16,21,23,26,29,31-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t43-/m0/s1
HMDB07494	DG(20:3(8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,43,46H,3-10,15-16,21-24,26,28-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,27-25-/t43-/m0/s1
HMDB07495	DG(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,43,46H,3-10,15-16,21,23,26,29,31-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t43-/m0/s1
HMDB12933	Dynorphin A 1-8	CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32+,33+,34?,35+,38-/m0/s1
HMDB12932	Dynorphin A (6-8)	CC[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(O)=O	InChI=1S/C18H37N9O4/c1-3-10(2)13(16(30)31)27-15(29)12(7-5-9-25-18(22)23)26-14(28)11(19)6-4-8-24-17(20)21/h10-13H,3-9,19H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t10-,11-,12+,13-/m1/s1
HMDB07498	DG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-4,6,8-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t43-/m0/s1
HMDB07499	DG(20:3(8Z,11Z,14Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,45,48H,3-11,13,15-17,19,21-26,28,30-44H2,1-2H3/b14-12-,20-18-,29-27-/t45-/m0/s1
HMDB12937	Dynorphin B (6-9)	N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCC(O)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C26H43N11O6/c27-16(8-4-12-33-25(29)30)21(39)35-17(9-5-13-34-26(31)32)22(40)36-18(10-11-20(28)38)23(41)37-19(24(42)43)14-15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14,27H2,(H2,28,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)(H4,29,30,33)(H4,31,32,34)/t16-,17+,18-,19+/m1/s1
HMDB12936	Dynorphin B (10-13)	CC(C)[C@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@H](C)O)C(O)=O	InChI=1S/C20H39N5O6/c1-10(2)14(23-17(27)13(22)8-6-7-9-21)18(28)24-15(11(3)4)19(29)25-16(12(5)26)20(30)31/h10-16,26H,6-9,21-22H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H,30,31)/t12-,13+,14-,15+,16-/m0/s1
HMDB12935	Dynorphin A	CCC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC([NH3+])=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O	InChI=1S/C69H115N23O13/c1-7-41(6)56(65(104)88-49(22-15-31-81-69(77)78)66(105)92-32-16-23-53(92)64(103)87-46(19-11-12-28-70)60(99)89-50(57(72)96)33-39(2)3)91-61(100)48(21-14-30-80-68(75)76)85-59(98)47(20-13-29-79-67(73)74)86-62(101)51(34-40(4)5)90-63(102)52(36-42-17-9-8-10-18-42)84-55(95)38-82-54(94)37-83-58(97)45(71)35-43-24-26-44(93)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,93H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H2,72,96)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,90,102)(H,91,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/p+1/t41?,45-,46+,47-,48-,49-,50+,51-,52-,53+,56+/m1/s1
HMDB12934	Dynorphin A 9-17	CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=N)C(=O)N[C@@H](CCC(O)=N)C(O)=O	InChI=1S/C53H85N17O14/c1-28(2)23-36(66-45(76)34(15-6-8-20-55)64-50(81)40-16-10-22-70(40)51(82)31(56)12-9-21-61-53(59)60)46(77)63-33(14-5-7-19-54)44(75)67-37(24-29-27-62-32-13-4-3-11-30(29)32)47(78)69-39(26-43(73)74)49(80)68-38(25-42(58)72)48(79)65-35(52(83)84)17-18-41(57)71/h3-4,11,13,27-28,31,33-40,62H,5-10,12,14-26,54-56H2,1-2H3,(H2,57,71)(H2,58,72)(H,63,77)(H,64,81)(H,65,79)(H,66,76)(H,67,75)(H,68,80)(H,69,78)(H,73,74)(H,83,84)(H4,59,60,61)/t31-,33-,34+,35-,36+,37-,38+,39+,40-/m0/s1
HMDB50553	TG(20:1(11Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,61H,4-14,16-17,19-23,30-60H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB50552	TG(20:1(11Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,40,43,60H,4-17,19-20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,43-40-
HMDB50551	TG(20:1(11Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,35,61H,4-20,22-23,27,31-34,36-60H2,1-3H3/b24-21-,28-25-,29-26-,35-30-
HMDB50550	TG(20:1(11Z)/22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-
HMDB50557	TG(20:1(11Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,42,45,64H,4-15,17-18,20-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,45-42-
HMDB50556	TG(20:1(11Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,64H,4-15,17-18,20-24,31-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-
HMDB50555	TG(20:1(11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36,39,45,48,62H,4-16,18-19,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB50554	TG(20:1(11Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,36,39,62H,4-16,18-19,21-24,31-35,37-38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-
HMDB50559	TG(20:1(11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-
HMDB50558	TG(20:1(11Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,42,45,51,54,64H,4-15,17-18,20-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-
HMDB03771	2-Methylacetoacetic acid	CC(C(C)=O)C(O)=O	InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)
HMDB00145	Estrone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
HMDB00140	Glucosylceramide	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)C(O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45?,46-,47+,48+/m0/s1
HMDB00143	D-Galactose	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
HMDB00142	Formic acid	OC=O	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
HMDB58006	CL(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,28-29,32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB00149	Ethanolamine	NCCO	InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
HMDB00148	L-Glutamic acid	N[C@@H](CCC(O)=O)C(O)=O	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
HMDB46648	TG(22:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,33,35,37,40,43,49,52,63H,4-15,17-18,20,22-23,26-27,29,31-32,34,36,38-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,24-21-,28-25-,35-33-,37-30-,43-40-,52-49-
HMDB03484	O-Phosphohomoserine	N[C@@H](CCOP(O)(O)=O)C(O)=O	InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
HMDB55891	TG(22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB55890	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,50,53,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-49,51-52,54-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,53-50-
HMDB55893	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-
HMDB55892	TG(22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB55895	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,45-46,48-49,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-44,47,50-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-,49-46-
HMDB55894	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,41,44,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-40,42-43,45-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-,44-41-
HMDB01438	25-Hydroxyvitamin D2	C[C@H](\C=C\[C@H](C)C(O)(C)C)C1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25?,26+,28-/m1/s1
HMDB01439	Phosphoribosyl formamidocarboxamide	NC(=O)C1=C(NC=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
HMDB55898	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,37,43,46,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36,38-42,44-45,47-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-35-,46-43-
HMDB01434	3-Methoxytyrosine	COC1=CC(CC(N)C(O)=O)=CC=C1O	InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)
HMDB01432	Agmatine	NCCCCNC(N)=N	InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
HMDB01433	Diadenosine heptaphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O	InChI=1S/C20H31N10O28P7/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(51-19)1-49-59(35,36)53-61(39,40)55-63(43,44)57-65(47,48)58-64(45,46)56-62(41,42)54-60(37,38)50-2-8-12(32)14(34)20(52-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
HMDB01430	L-Dopachrome	OC(=O)[C@H]1NC2=CC(=O)C(=O)CC2=C1	InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1,3,6,10H,2H2,(H,13,14)/t6-/m0/s1
HMDB01431	Pyridoxamine	CC1=C(O)C(CN)=C(CO)C=N1	InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
HMDB57022	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,26-27,29-31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57023	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-20,22-24,26-32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57020	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H156O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,26-32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57021	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57026	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57027	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB57024	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB57025	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB57028	CL(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57029	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1
HMDB58523	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB46642	TG(22:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,33-34,39,42,59H,4-17,19,22,24-26,28,30-32,35-38,40-41,43-58H2,1-3H3/b21-18-,23-20-,33-27-,34-29-,42-39-
HMDB46643	TG(22:0/18:2(9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,30,35,60H,4-13,15-16,18-20,22,25,27-29,31-34,36-59H2,1-3H3/b17-14-,24-21-,26-23-,35-30-
HMDB49009	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,35,38,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,38-35-
HMDB41696	6'-Hydroxyangolensin	[H]OC1=C([H])C(O[H])=C(C(=O)C([H])(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H])C(O[H])=C1[H]	InChI=1S/C16H16O5/c1-9(10-3-5-12(21-2)6-4-10)16(20)15-13(18)7-11(17)8-14(15)19/h3-9,17-19H,1-2H3
HMDB41697	6'-Hydroxyenterolactone	[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[C@]1([H])C([H])([H])C1=C([H])C(O[H])=C([H])C([H])=C1O[H]	InChI=1S/C18H18O5/c19-14-3-1-2-11(6-14)7-16-13(10-23-18(16)22)8-12-9-15(20)4-5-17(12)21/h1-6,9,13,16,19-21H,7-8,10H2/t13-,16+/m0/s1
HMDB31538	3-Methylcyclohexanol	CC1CCCC(O)C1	InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
HMDB31539	2-Methylcyclohexanone	CC1CCCCC1=O	InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
HMDB41477	2-Ethyl-1-hexanethiol	CCCCC(CC)CS	InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
HMDB31530	3-Methyl-3-buten-2-one	CC(=C)C(C)=O	InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
HMDB31531	Dihydro-5-pentyl-2(3H)-furanone	CCCCCC1CCC(=O)O1	InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
HMDB31532	1-Methyl-1,3-cyclohexadiene	CC1=CC=CCC1	InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
HMDB34967	cis-Reticulatacin-10-one	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCC(=O)CCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-14-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-15-19-24-32(38)23-18-13-11-12-17-22-31-29-30(2)42-37(31)41/h29-30,33-36,39-40H,3-28H2,1-2H3
HMDB31534	(+)-Galeon	COC1=CC2=CC=C1OC1=CC(CCC(=O)CCCC2)=CC=C1O	InChI=1S/C20H22O4/c1-23-20-13-14-4-2-3-5-16(21)9-6-15-7-10-17(22)19(12-15)24-18(20)11-8-14/h7-8,10-13,22H,2-6,9H2,1H3
HMDB31535	Hydroxygaleon	COC1=CC2=CC=C1OC1=CC(=CC=C1O)C(O)CC(=O)CCCC2	InChI=1S/C20H22O5/c1-24-20-10-13-4-2-3-5-15(21)12-17(23)14-7-8-16(22)19(11-14)25-18(20)9-6-13/h6-11,17,22-23H,2-5,12H2,1H3
HMDB31536	Myricatomentoside I	COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=CC=C1OC1=CC(CCC(=O)CCCC2)=CC=C1O	InChI=1S/C26H32O10/c1-33-25-18-11-8-15(24(25)36-26-23(32)22(31)21(30)20(13-27)35-26)4-2-3-5-16(28)9-6-14-7-10-17(29)19(12-14)34-18/h7-8,10-12,20-23,26-27,29-32H,2-6,9,13H2,1H3
HMDB31537	3-Methylcyclohexanethiol	CC1CCCC(S)C1	InChI=1S/C7H14S/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
HMDB35228	Theaspirone A	CC1CCC2(O1)C(C)=CC(=O)CC2(C)C	InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3
HMDB35229	5-Isopropylbicyclo[3.1.0]hexan-2-one	CC(C)C12CC1C(=O)CC2	InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3
HMDB41475	4-Mercapto-2-butanol	CC(O)CCS	InChI=1S/C4H10OS/c1-4(5)2-3-6/h4-6H,2-3H2,1H3
HMDB35220	Cryptotanshinone	CC1COC2=C1C(=O)C(=O)C1=C2C=CC2=C1CCCC2(C)C	InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3
HMDB35221	(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one	CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1	InChI=1S/C29H46O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-24,30-31,33H,6-17H2,1-5H3
HMDB35222	Isocyclocalamin	COC(=O)CC1OC(C)(C)C2C(O)C(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C	InChI=1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,17-18,20-21,29H,7,9,11H2,1-6H3
HMDB35223	(S)-Pterosin D	CC1=C(CCO)C(C)=C2C(=C1)C(O)C(C)(C)C2=O	InChI=1S/C15H20O3/c1-8-7-11-12(9(2)10(8)5-6-16)14(18)15(3,4)13(11)17/h7,13,16-17H,5-6H2,1-4H3
HMDB35224	3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol	COC1=CC2=C(COC(C)C2)C(O)=C1C	InChI=1S/C12H16O3/c1-7-4-9-5-11(14-3)8(2)12(13)10(9)6-15-7/h5,7,13H,4,6H2,1-3H3
HMDB35225	(22S)-Acetoxy-3alpha,15alpha-dihydroxylanosta-7,9(11),24-trien-26-oic acid	CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(38-20(3)33)19(2)23-17-27(35)32(8)22-10-12-25-29(4,5)26(34)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+
HMDB35226	2-Acetyl-5-methylfuran	CC(=O)C1=CC=C(C)O1	InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
HMDB35227	Hydroxypropanedioic acid	OC(C(O)=O)C(O)=O	InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
HMDB02160	Harderoporphyrinogen	CC1=C2CC3N=C(CC4N=C(CC5=NC(CC(N2)=C1CCC(O)=O)C(CCC(O)=O)=C5C)C(C)=C4C=C)C(C)=C3CCC(O)=O	InChI=1S/C35H42N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,29-31,39H,1,7-16H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)
HMDB02163	Trihydroxycoprostanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2(C[C@H](O)CC[C@]12C)C(O)=O	InChI=1S/C28H48O5/c1-16(2)7-6-8-17(3)19-9-10-20-24-21(13-23(31)27(19,20)5)26(4)12-11-18(29)14-28(26,25(32)33)15-22(24)30/h16-24,29-31H,6-15H2,1-5H3,(H,32,33)/t17-,18-,19-,20+,21+,22-,23+,24+,26-,27-,28+/m1/s1
HMDB41470	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-b-D-Apiofuranosyl, 6''-O-a-L-rhamnopyranosyl	COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)(CO)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C33H40O20/c1-11-20(38)23(41)25(43)30(49-11)47-8-18-21(39)24(42)28(53-32-29(44)33(45,9-34)10-48-32)31(51-18)52-27-22(40)19-15(37)6-13(35)7-17(19)50-26(27)12-3-4-14(36)16(5-12)46-2/h3-7,11,18,20-21,23-25,28-32,34-39,41-45H,8-10H2,1-2H3
HMDB02167	3-Methylbutyrolactone	CC1COC(=O)C1	InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3
HMDB02166	(S)-b-aminoisobutyric acid	C[C@@H](CN)C(O)=O	InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
HMDB02169	S-(2-carboxypropyl)-Cysteamine	CC(CSCCN)C(O)=O	InChI=1S/C6H13NO2S/c1-5(6(8)9)4-10-3-2-7/h5H,2-4,7H2,1H3,(H,8,9)
HMDB02168	Superoxide	[O][O-]	InChI=1S/HO2/c1-2/h1H/p-1
HMDB41471	Ginsenoside Ia	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC21C	InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)54-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(38(3,4)35(39)23(46)17-41(26,40)7)55-36-33(51)31(49)29(47)24(18-43)53-36/h10,21-37,43-52H,9,11-19H2,1-8H3
HMDB40893	(E,E)-1,7-Diphenyl-4,6-heptadien-3-ol	OC(CCC1=CC=CC=C1)\C=C\C=C/C1=CC=CC=C1	InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/b13-7-,14-8+
HMDB40892	3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol	COC1=C2OCOC2=CC(\C=C/CO)=C1	InChI=1S/C11H12O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-3,5-6,12H,4,7H2,1H3/b3-2-
HMDB40891	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol; (E)-form, 3',4',5'-Tri-Me ether, Ac	COC1=CC(\C=C/COC(C)=O)=CC(OC)=C1OC	InChI=1S/C14H18O5/c1-10(15)19-7-5-6-11-8-12(16-2)14(18-4)13(9-11)17-3/h5-6,8-9H,7H2,1-4H3/b6-5-
HMDB40890	3',4',5'-Trimethoxycinnamyl alcohol	COC1=CC(\C=C/CO)=CC(OC)=C1OC	InChI=1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3/b5-4-
HMDB40897	3,10-Dihydroxy-4,11-dodecadiene-6,8-diynoic acid; (3x,4E,10R)-form, 10-O-b-D-Glucopyranoside, Me ester	COC(=O)CC(O)\C=C\C#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C19H24O9/c1-3-13(9-7-5-4-6-8-12(21)10-15(22)26-2)27-19-18(25)17(24)16(23)14(11-20)28-19/h3,6,8,12-14,16-21,23-25H,1,10-11H2,2H3/b8-6+
HMDB40896	3,10-Dihydroxy-11-dodecene-6,8-diynoic acid; (3x,10R)-form, 10-O-b-D-Glucopyranoside, Me ester	COC(=O)CC(O)CCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C19H26O9/c1-3-13(9-7-5-4-6-8-12(21)10-15(22)26-2)27-19-18(25)17(24)16(23)14(11-20)28-19/h3,12-14,16-21,23-25H,1,6,8,10-11H2,2H3
HMDB40895	9-Hydroxy-10-undecene-5,7-diynoic acid; (R)-form, O-b-D-Glucopyranoside, Me ester	COC(=O)CCCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C18H24O8/c1-3-12(9-7-5-4-6-8-10-14(20)24-2)25-18-17(23)16(22)15(21)13(11-19)26-18/h3,12-13,15-19,21-23H,1,6,8,10-11H2,2H3
HMDB40894	Ampelopsin D	OC1=CC=C(\C=C2\C(C(C3=C2C=C(O)C=C3O)C2=CC(O)=CC(O)=C2)C2=CC=C(O)C=C2)C=C1	InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(17-10-20(31)12-21(32)11-17)26(23)16-3-7-19(30)8-4-16/h1-14,26-27,29-34H/b23-9+
HMDB40899	10-Hydroxy-3,11-dodecadiene-6,8-diynoic acid; (3Z,10R)-form, O-b-D-Glucopyranoside, Me ester	COC(=O)C\C=C/CC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C19H24O8/c1-3-13(10-8-6-4-5-7-9-11-15(21)25-2)26-19-18(24)17(23)16(22)14(12-20)27-19/h3,7,9,13-14,16-20,22-24H,1,5,11-12H2,2H3/b9-7-
HMDB40898	8-Hydroxy-9-decene-4,6-diynoic acid; (R)-form, O-b-D-Glucopyranoside, Me ester	COC(=O)CCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C17H22O8/c1-3-11(8-6-4-5-7-9-13(19)23-2)24-17-16(22)15(21)14(20)12(10-18)25-17/h3,11-12,14-18,20-22H,1,7,9-10H2,2H3
HMDB41478	1-Tritriacontanol	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C33H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h34H,2-33H2,1H3
HMDB41479	Tritriacontyl octacosanoate	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C61H122O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-63-61(62)59-57-55-53-51-49-47-45-43-41-39-37-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3
HMDB56049	DG(18:0/0:0/18:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,37,40H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3/b13-11-,19-17-,25-23-
HMDB56048	DG(18:0/0:0/18:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,19,21,38,41H,3-12,14,16-18,20,22-37H2,1-2H3/b15-13-,21-19-
HMDB56043	DG(18:0/0:0/18:1n9)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,37,40H,3-16,18,20-36H2,1-2H3/b19-17-
HMDB56042	DG(18:0/0:0/18:1n7)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,37,40H,3-12,14,16-36H2,1-2H3/b15-13-
HMDB56041	DG(18:0/0:0/16:1n7)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h19,21,35,38H,3-18,20,22-34H2,1-2H3/b21-19+
HMDB56040	DG(18:0/0:0/14:1n5)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h21,23,33,36H,3-20,22,24-32H2,1-2H3/b23-21+
HMDB56047	DG(18:0/0:0/24:1n9)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-
HMDB56046	DG(18:0/0:0/22:1n9)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-
HMDB56045	DG(18:0/0:0/20:3n9)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,39,42H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b19-17-,24-22-,30-28-
HMDB56044	DG(18:0/0:0/20:1n9)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,39,42H,3-16,18,20-38H2,1-2H3/b19-17-
HMDB59033	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,68,85-87,92H,5-9,11-13,15-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-/t85?,86-,87-/m1/s1
HMDB40279	2,4,5-Trimethyl-1,3-dioxolane	CC1OC(C)C(C)O1	InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3
HMDB40278	2-Isopropylfuran	CC(C)C1=CC=CO1	InChI=1S/C7H10O/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3
HMDB40277	2-Propylfuran	CCCC1=CC=CO1	InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3
HMDB40276	5-Acetoxydihydrotheaespirane	CC1CCC2(O1)C(C)(C)CCCC2(C)OC(C)=O	InChI=1S/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3
HMDB40275	Ethyl aconitate	CCOC(=O)\C=C(\CC([O-])=O)C([O-])=O	InChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)/p-2/b5-4-
HMDB40273	Terpenyl isovalerate	CC(C)CC(=O)OC(C)(C)C1CCC(C)=CC1	InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3
HMDB40272	2-Butylfuran	CCCCC1=CC=CO1	InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
HMDB40271	(Z)-4-Hexenal	C\C=C\CCC=O	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2+
HMDB40270	Diethylhexyl adipate	CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC	InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
HMDB33978	Ethyl acrylate	CCOC(=O)C=C	InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
HMDB33979	7-Hydroxy-2-methylisoflavone	CC1=C(C(=O)C2=CC=C(O)C=C2O1)C1=CC=CC=C1	InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3
HMDB33976	Physapubenolide	CC(C1CC(OC(C)=O)C2(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC(C)=C(C)C(=O)O1	InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3
HMDB33977	Methyl acrylate	COC(=O)C=C	InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
HMDB33974	Procyanidin B3	O[C@H]1CC2=C(O)C=C(O)C([C@H]3[C@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1
HMDB33972	Asacoumarin A	CC(C)=CCC(O)C(\C)=C/C(O)C\C(C)=C\COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C24H30O5/c1-16(2)5-9-22(26)18(4)14-20(25)13-17(3)11-12-28-21-8-6-19-7-10-24(27)29-23(19)15-21/h5-8,10-11,14-15,20,22,25-26H,9,12-13H2,1-4H3/b17-11+,18-14-
HMDB33973	Procyanidin B2	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1
HMDB33970	4-Ethoxybenzaldehyde	CCOC1=CC=C(C=O)C=C1	InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
HMDB33971	2-Diethylaminoethanol	CCN(CC)CCO	InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
HMDB48922	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,54H,4-7,9-10,12-16,18-19,22-23,28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-
HMDB49366	TG(18:1(11Z)/24:1(15Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,60H,4-19,22,26-27,29-59H2,1-3H3/b23-20-,24-21-,28-25-
HMDB48927	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33,36,52H,4-7,9-10,12-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB48926	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26-29,53H,4-7,9-10,12-16,18,23,25,30-52H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-,29-27-
HMDB08138	PC(18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
HMDB08139	PC(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-25,27,31,33,44H,6-14,16,18-19,23,26,28-30,32,34-43H2,1-5H3/b17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB51408	TG(22:1(13Z)/14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-
HMDB51409	TG(22:1(13Z)/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,60H,4-23,28-59H2,1-3H3/b26-24-,27-25-
HMDB08130	PC(18:2(9Z,12Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h14,16,19-20,38H,6-13,15,17-18,21-37H2,1-5H3/b16-14-,20-19-/t38-/m1/s1
HMDB08131	PC(18:2(9Z,12Z)/14:1(9Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13-16,19-20,38H,6-12,17-18,21-37H2,1-5H3/b15-13-,16-14-,20-19-/t38-/m1/s1
HMDB08132	PC(18:2(9Z,12Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h14,16,20-21,39H,6-13,15,17-19,22-38H2,1-5H3/b16-14-,21-20-/t39-/m1/s1
HMDB08133	PC(18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
HMDB08134	PC(18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1
HMDB08135	PC(18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,42H,6-13,15,17-19,21,23-41H2,1-5H3/b16-14-,22-20-/t42-/m1/s1
HMDB08136	PC(18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,42H,6-13,15,18,21,23-41H2,1-5H3/b16-14-,19-17-,22-20-/t42-/m1/s1
HMDB08137	PC(18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,42H,6-13,15,17-19,24-41H2,1-5H3/b16-14-,22-20-,23-21-/t42-/m1/s1
HMDB48387	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,9,12-14,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB55538	TG(20:4(8Z,11Z,14Z,17Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB55539	TG(20:4(8Z,11Z,14Z,17Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38,43,46,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-
HMDB48386	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38,44,47,56H,4-6,9,12-14,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-
HMDB55532	TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,35,37,40,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-
HMDB55533	TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB55530	TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB55531	TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,35-36,38-39,55H,4-7,10,13-16,19,22-25,28,31-34,37,40-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,39-36-
HMDB55536	TG(20:4(8Z,11Z,14Z,17Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,54H,4-6,9,12-15,18,21-23,28-29,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB48385	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,35-36,38,42,45,54H,4-6,9,12-14,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-
HMDB55534	TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB55535	TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB48384	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,36,42,45,54H,4-6,9,12-14,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-
HMDB49364	TG(18:1(11Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,17-18,20,22-23,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB48383	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-7,9-10,12-14,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-
HMDB48382	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,36-37,39-40,46,49,58H,4-7,9-10,12-14,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-
HMDB48381	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,31,33,37,40,46,49,58H,4-7,9-10,12-14,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-
HMDB48380	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB49365	TG(18:1(11Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h21,24-25,28,59H,4-20,22-23,26-27,29-58H2,1-3H3/b24-21-,28-25-
HMDB49362	TG(18:1(11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,35,38,44,47,60H,4-7,9-10,12-16,18-19,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,38-35-,47-44-
HMDB58313	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB49363	TG(18:1(11Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,32,34,40,43,62H,4-6,8-9,11-15,17-18,20,22-23,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,43-40-
HMDB49360	TG(18:1(11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,32,38,41,58H,4-7,9-10,12-16,18-19,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,32-26-,41-38-
HMDB45589	TG(20:0/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,34,37,43,46,60H,4-24,26-27,29-33,35-36,38-42,44-45,47-59H2,1-3H3/b28-25-,37-34-,46-43-
HMDB45582	TG(20:0/20:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB45583	TG(20:0/20:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3
HMDB45580	TG(20:0/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h57H,4-56H2,1-3H3
HMDB45586	TG(20:0/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB45587	TG(20:0/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h27,32,58H,4-26,28-31,33-57H2,1-3H3/b32-27-
HMDB45584	TG(20:0/20:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-
HMDB45585	TG(20:0/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-
HMDB42121	TG(14:0/16:0/14:0)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h44H,4-43H2,1-3H3
HMDB42120	TG(14:0/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C50H98O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(47-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
HMDB42123	TG(14:0/16:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
HMDB42122	TG(14:0/16:0/15:0)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3
HMDB36229	Pentyl hexanoate	CCCCCOC(=O)CCCCC	InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
HMDB36228	2-Methylpropyl hexanoate	CCCCCC(=O)OCC(C)C	InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
HMDB42127	TG(14:0/16:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB42126	TG(14:0/16:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB36225	Pentyl heptanoate	CCCCCCC(=O)OCCCCC	InChI=1S/C12H24O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h3-11H2,1-2H3
HMDB36224	2,3-Dimethyl-2-butenoic acid, 9CI; Benzyl ester	CC(C)=C(C)C(=O)OCC1=CC=CC=C1	InChI=1S/C13H16O2/c1-10(2)11(3)13(14)15-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
HMDB36227	2-Propenyl 2,4-hexadienoate	C\C=C\C=C\C(=O)OCC=C	InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+
HMDB36226	2,6-Dimethoxy-4-propylphenol	CCCC1=CC(OC)=C(O)C(OC)=C1	InChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h6-7,12H,4-5H2,1-3H3
HMDB36221	[2-(Dimethoxymethyl)-1-heptenyl]benzene	CCCCC\C(=C\C1=CC=CC=C1)C(OC)OC	InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13-
HMDB36220	Octyl heptanoate	CCCCCCCCOC(=O)CCCCCC	InChI=1S/C15H30O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h3-14H2,1-2H3
HMDB36223	Diethylene glycol distearate	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)44-37-35-43-36-38-45-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
HMDB36222	Cyclohexyl propionate	CCC(=O)OC1CCCCC1	InChI=1S/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3
HMDB44980	TG(18:0/20:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,58H,4-15,17-18,20-24,27,30-32,34-35,37-57H2,1-3H3/b19-16-,28-25-,29-26-,36-33-
HMDB44983	TG(18:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,38,41,60H,4-15,17-18,20-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,41-38-
HMDB44982	TG(18:0/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,60H,4-15,17-18,20-24,27,30-59H2,1-3H3/b19-16-,28-25-,29-26-
HMDB44985	TG(18:0/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,30,56H,4-7,9-10,12-16,18-19,21-24,27,29,31-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-
HMDB44984	TG(18:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,38,41,47,50,60H,4-15,17-18,20-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,41-38-,50-47-
HMDB44987	TG(18:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-
HMDB44986	TG(18:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,30,36,39,56H,4-7,9-10,12-16,18-19,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,39-36-
HMDB44989	TG(18:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,41-38-
HMDB44988	TG(18:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-
HMDB45630	TG(20:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,64H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-
HMDB45631	TG(20:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,51,54,64H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-,54-51-
HMDB45632	TG(20:0/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3
HMDB45633	TG(20:0/24:0/20:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h64H,4-63H2,1-3H3
HMDB45634	TG(20:0/24:0/22:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
HMDB45635	TG(20:0/24:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h68H,4-67H2,1-3H3
HMDB45636	TG(20:0/24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-
HMDB45637	TG(20:0/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB45638	TG(20:0/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-
HMDB45639	TG(20:0/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-
HMDB29012	Prolyl-Asparagine	NC(CC(N)=O)C(=O)N1CCCC1C(O)=O	InChI=1S/C9H15N3O4/c10-5(4-7(11)13)8(14)12-3-1-2-6(12)9(15)16/h5-6H,1-4,10H2,(H2,11,13)(H,15,16)
HMDB29013	Prolyl-Aspartate	NC(CC(O)=O)C(=O)N1CCCC1C(O)=O	InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)
HMDB29010	Prolyl-Alanine	CC(N)C(=O)N1CCCC1C(O)=O	InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)
HMDB29011	Prolyl-Arginine	NC(CCCNC(N)=N)C(=O)N1CCCC1C(O)=O	InChI=1S/C11H21N5O3/c12-7(3-1-5-15-11(13)14)9(17)16-6-2-4-8(16)10(18)19/h7-8H,1-6,12H2,(H,18,19)(H4,13,14,15)
HMDB29016	Prolyl-Glutamate	NC(CCC([O-])=O)C(=O)N1CCCC1C(O)=O	InChI=1S/C10H16N2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7H,1-5,11H2,(H,13,14)(H,16,17)/p-1
HMDB29014	Prolyl-Cysteine	NC(CS)C(=O)N1CCCC1C(O)=O	InChI=1S/C8H14N2O3S/c9-5(4-14)7(11)10-3-1-2-6(10)8(12)13/h5-6,14H,1-4,9H2,(H,12,13)
HMDB29015	Prolyl-Glutamine	NC(CCC(N)=O)C(=O)N1CCCC1C(O)=O	InChI=1S/C10H17N3O4/c11-6(3-4-8(12)14)9(15)13-5-1-2-7(13)10(16)17/h6-7H,1-5,11H2,(H2,12,14)(H,16,17)
HMDB13516	PGP(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43-44,47H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1
HMDB13517	PGP(18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O	InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37-38,41H,3-12,14,16-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-13-/t37-,38+/m0/s1
HMDB29018	Prolyl-Hydroxyproline	OC1CNC(C1)C(=O)N1CCCC1C(O)=O	InChI=1S/C10H16N2O4/c13-6-4-7(11-5-6)9(14)12-3-1-2-8(12)10(15)16/h6-8,11,13H,1-5H2,(H,15,16)
HMDB29019	Prolyl-Histidine	NC(CC1=CN=CN1)C(=O)N1CCCC1C(O)=O	InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)
HMDB13512	PGP(18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41-42,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,19-17-,24-22-,30-28-/t41-,42+/m0/s1
HMDB13513	PGP(18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,43-44,47H,3-10,12,14-16,18,20,23-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,19-17-,22-21-,28-26-/t43-,44+/m0/s1
HMDB13510	PGP(18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,41-42,45H,3-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b19-17-,24-22-,30-28-/t41-,42+/m0/s1
HMDB13511	PGP(18:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,41-42,45H,3-10,12,14-16,18,20-21,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,19-17-,24-22-/t41-,42+/m0/s1
HMDB46587	TG(22:0/22:1(13Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,64H,4-25,28,31-63H2,1-3H3/b29-26-,30-27-
HMDB46586	TG(22:0/22:1(13Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,62H,4-25,28,30-35,37-61H2,1-3H3/b29-26-,36-27-
HMDB46585	TG(22:0/22:1(13Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,62H,4-20,22-23,25,27-28,30-61H2,1-3H3/b24-21-,29-26-
HMDB46584	TG(22:0/22:1(13Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-
HMDB46583	TG(22:0/22:1(13Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,58H,4-14,16-17,19-24,26,28-57H2,1-3H3/b18-15-,27-25-
HMDB46582	TG(22:0/22:1(13Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h27,30,68H,4-26,28-29,31-67H2,1-3H3/b30-27-
HMDB46581	TG(22:0/22:1(13Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,66H,4-26,28-29,31-65H2,1-3H3/b30-27-
HMDB46580	TG(22:0/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,36,39,45,48,61H,4-25,27-28,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b29-26-,39-36-,48-45-
HMDB46589	TG(22:0/22:1(13Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,66H,4-24,26,29,31-65H2,1-3H3/b28-25-,30-27-
HMDB46588	TG(22:0/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,41,47,50,64H,4-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,30-27-,41-38-,50-47-
HMDB43290	TG(15:0/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31,33,39,42,55H,4-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b27-25-,28-26-,33-31-,42-39-
HMDB43291	TG(15:0/20:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,57H,4-24,29-56H2,1-3H3/b27-25-,28-26-
HMDB43292	TG(15:0/20:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-
HMDB43293	TG(15:0/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30,54H,4-19,21-22,24,26,29,31-53H2,1-3H3/b23-20-,27-25-,30-28-
HMDB43294	TG(15:0/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,34,37,53H,4-16,18-19,21-24,28,30-33,35-36,38-52H2,1-3H3/b20-17-,27-25-,29-26-,37-34-
HMDB43295	TG(15:0/20:1(11Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,54H,4-13,15-16,18-22,24,28-53H2,1-3H3/b17-14-,26-23-,27-25-
HMDB43296	TG(15:0/20:1(11Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,55H,4-15,17-18,20-24,29-30,32,34-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-
HMDB43297	TG(15:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,39,42,55H,4-15,17-18,20-24,29-30,32,34-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,42-39-
HMDB43298	TG(15:0/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,57H,4-15,17-18,20-24,29-56H2,1-3H3/b19-16-,27-25-,28-26-
HMDB43299	TG(15:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,35,38,57H,4-15,17-18,20-24,29,31,33-34,36-37,39-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,38-35-
HMDB47980	TG(14:1(9Z)/20:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28,52H,4-14,16-17,19-23,27,29-51H2,1-3H3/b18-15-,26-24-,28-25-
HMDB47981	TG(14:1(9Z)/20:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,54H,4-14,16-17,19-23,28-53H2,1-3H3/b18-15-,26-24-,27-25-
HMDB47982	TG(14:1(9Z)/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,30,32,38,41,54H,4-14,16-17,19-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,26-24-,27-25-,32-30-,41-38-
HMDB47983	TG(14:1(9Z)/20:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,56H,4-14,16-17,19-23,28-55H2,1-3H3/b18-15-,26-24-,27-25-
HMDB47984	TG(14:1(9Z)/20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-
HMDB47985	TG(14:1(9Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,29,53H,4-14,16-17,19,21-22,25,28,30-52H2,1-3H3/b18-15-,23-20-,26-24-,29-27-
HMDB47986	TG(14:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28,33,36,52H,4-14,16,19,21-23,27,29-32,34-35,37-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-,36-33-
HMDB47987	TG(14:1(9Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,53H,4-13,16,19-22,27-52H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB47988	TG(14:1(9Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,54H,4-14,17,20-23,28-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-
HMDB47989	TG(14:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,38,41,54H,4-14,17,20-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,41-38-
HMDB48655	TG(16:1(9Z)/20:1(11Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20-21,23-26,52H,4-19,22,27-51H2,1-3H3/b23-20-,24-21-,26-25-
HMDB36919	Lycophyll	C\C(CO)=C/CC\C(C)=C\C=C\C(\C)=C/C=C/C(/C)=C/C=C\C=C(\C)/C=C\C=C(\C)/C=C\C=C(/C)CC\C=C(/C)CO	InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9-,19-11-,20-12+,23-13-,24-14+,33-17-,34-18+,35-21-,36-22-,37-25+,38-26+,39-29+,40-30+
HMDB36918	Isomytiloxanthin	CC1CC(=O)CC(C)(C)C1(O)CC(=O)C(\C)=C\C=C/C(/C)=C/C=C/C=C(/C)\C=C/C=C(/C)C#CC1=C(C)CC(O)CC1(C)C	InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,33-34,41,44H,23-27H2,1-10H3/b12-11+,17-13-,19-14-,28-15-,29-16+,30-18-,31-20+
HMDB36917	Flavochrome	C/C(/C=C/C=C(/C)\C=C/C1C(C)=CCCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CCCC(C)(C)C2=C1	InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-25,29,35-36H,15-16,26-28H2,1-10H3/b12-11-,19-13+,21-14+,25-24-,30-17+,31-18+,32-20-,34-22-
HMDB36916	7,8-Dihydroparasiloxanthin	C\C(CCC1=C(C)CC(O)CC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)CCC1=C(C)CC(O)CC1(C)C	InChI=1S/C40H60O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,21-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+
HMDB36915	Parasiloxanthin	C\C(CCC1=C(C)CC(O)CC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,22,24-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+
HMDB36914	Triphasiaxanthin	CC(=O)CCCC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H56O3/c1-30(18-13-20-32(3)23-25-37-34(5)28-36(42)29-40(37,9)10)16-11-12-17-31(2)19-14-21-33(4)24-26-38(43)39(7,8)27-15-22-35(6)41/h11-14,16-21,23-26,36,42H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20-,33-21+
HMDB36913	Capsochrome	C/C(/C=C\C=C(/C)\C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C40H56O4/c1-28(15-11-12-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34)16-13-17-29(2)18-14-19-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,16-13-,18-14-,22-21+,28-15+,29-17+,30-19-,31-20-
HMDB36912	Salmoxanthin	C/C(/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C\C=C\C=C(\C)/C=C/C=C(/C)\C=C\C1(O)C(C)=CC(O)CC1(C)C	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39(43)33(5)25-34(41)26-36(39,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-40-37(8,9)27-35(42)28-38(40,10)44-40/h11-25,34-35,41-43H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19-,32-20-
HMDB36911	Anhydroamarouciaxanthin B	C\C(\C=C\C=C(\C)C#CC1=C(C)CC(O)CC1(C)C)=C\C=C/C=C(/C)\C=C\C=C(\C)C(=O)\C=C1/C(C)=CC(=O)CC1(C)C	InChI=1S/C40H50O3/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)26-39(36,7)8)15-11-12-16-29(2)19-14-20-31(4)38(43)25-37-33(6)24-35(42)27-40(37,9)10/h11-20,24-25,34,41H,23,26-27H2,1-10H3/b12-11-,17-13+,19-14+,28-15-,29-16-,30-18-,31-20-,37-25+
HMDB36910	Aleuriaxanthin	CC(=C)C(O)CC\C(C)=C/C=C/C(/C)=C/C=C/C(/C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26,28,39,41H,1,16,25,27,29-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,32-17-,33-18+,34-21+,35-23-,36-24-
HMDB53655	TG(20:3n6/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,56H,4-15,18,21-23,28-31,33,35-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-
HMDB48656	TG(16:1(9Z)/20:1(11Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,54H,4-19,22,26,28-53H2,1-3H3/b23-20-,24-21-,27-25-
HMDB29336	Nummularine A	CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC)OC2=CC=C(OC)C(=C2)\C=C/NC1=O	InChI=1S/C36H49N5O6/c1-7-23(4)31-34(43)38-17-15-25-21-26(13-14-29(25)46-6)47-30-16-18-41(32(30)35(44)40-31)36(45)28(19-22(2)3)39-33(42)27(37-5)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,43)(H,39,42)(H,40,44)/b17-15-
HMDB48651	TG(16:1(9Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,32,38,41,54H,4-6,8-9,11-15,17-18,20,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,32-30-,41-38-
HMDB53657	TG(20:3n6/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,43,46,56H,4-15,18,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-
HMDB43746	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-
HMDB43747	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,38,41,59H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-37,39-40,42-58H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,41-38-
HMDB43744	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,36-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,35-32-
HMDB43745	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-
HMDB43742	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-
HMDB43743	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,31,34,52H,4-6,8-9,11-15,17-18,20-24,27,30,32-33,35-51H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-31-
HMDB43740	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34-36,38,42,45,57H,4-6,9,12-15,18,21-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-
HMDB43741	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34-36,38,42,44-45,47,57H,4-6,9,12-15,18,21-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-
HMDB53651	TG(20:2n6/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,32-33,38,41,60H,4-6,8-9,11-13,15,18,20-22,24,27,29-31,34-37,39-40,42-59H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,33-32-,41-38-
HMDB48652	TG(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,34,37,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,37-34-
HMDB43748	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,40,43,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-39,41-42,44-60H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,43-40-
HMDB43749	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-
HMDB47676	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-
HMDB47677	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,43,49,52,58,61,70H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b12-9-,21-18-,30-27-,43-38-,52-49-,61-58-
HMDB47674	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,68H,4-7,10,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-
HMDB47675	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,57,68H,4-7,10,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-
HMDB47672	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,39-40,43,45,48,66H,4-7,10,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-
HMDB47673	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-7,10,13-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB47670	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,37-38,43,46,64H,4-7,10,13-16,19,22-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-
HMDB47671	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,37-38,43-44,46-47,64H,4-7,10,13-16,19,22-25,28,30-33,35-36,39-42,45,48-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-
HMDB29330	Gravacridonetriol	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(O)(CO)CO)C=C2O	InChI=1S/C19H19NO6/c1-20-12-5-3-2-4-10(12)18(24)16-13(23)7-14-11(17(16)20)6-15(26-14)19(25,8-21)9-22/h2-5,7,15,21-23,25H,6,8-9H2,1H3
HMDB47678	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,39,42,48,51,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-,42-39-,51-48-
HMDB47679	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,44-41-,53-50-
HMDB48659	TG(16:1(9Z)/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,31,34,40,43,56H,4-20,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,43-40-
HMDB34205	Demissine	CC1C2CCC(C)CN2C2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3
HMDB34204	Stigmasta-5,25-dien-3-ol; (3b,24S)-form, 3-O-b-D-Glucopyranoside	CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)=C	InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,21-22,24-33,36-39H,2,7-9,11-19H2,1,3-6H3
HMDB34207	2-Hydroxy-2-methylbutanoic acid, 9CI; (R)-form, Nitrile, O-[b-D-apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C#N	InChI=1S/C16H27NO10/c1-3-16(2,6-17)27-15-13(23)11(21)10(20)8(26-15)5-24-14-12(22)9(19)7(4-18)25-14/h7-15,18-23H,3-5H2,1-2H3
HMDB34206	Ethyl 4-methylphenoxyacetate	CCOC(=O)COC1=CC=C(C)C=C1	InChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
HMDB34201	Physalolactone B; 3-O-b-D-Glucopyranoside	CC(=O)OC1CC(CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H54O11/c1-17-13-28(47-32(42)18(17)2)36(6,43)26-10-9-23-22-8-7-20-14-21(45-33-31(41)30(40)29(39)25(16-37)46-33)15-27(44-19(3)38)35(20,5)24(22)11-12-34(23,26)4/h7,21-31,33,37,39-41,43H,8-16H2,1-6H3
HMDB34200	Physalolactone B	CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C12C	InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3
HMDB34203	N-(2-Methylpropyl)acetamide	CC(C)CNC(C)=O	InChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h5H,4H2,1-3H3,(H,7,8)
HMDB34202	alpha-Solanine	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O	InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3
HMDB44211	TG(16:0/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,60H,4-15,17-18,20-24,29-59H2,1-3H3/b19-16-,27-25-,28-26-
HMDB44210	TG(16:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,42,45,58H,4-16,18-19,21-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,45-42-
HMDB44213	TG(16:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,38,41,47,50,60H,4-15,17-18,20-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,41-38-,50-47-
HMDB44212	TG(16:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,38,41,60H,4-15,17-18,20-24,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,41-38-
HMDB34209	Cyclobrassinone	COC1=NC(=O)C2=C(NC3=C2C=CC=C3)S1	InChI=1S/C11H8N2O2S/c1-15-11-13-9(14)8-6-4-2-3-5-7(6)12-10(8)16-11/h2-5,12H,1H3
HMDB34208	Pterolactam	COC1CCC(=O)N1	InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)
HMDB44217	TG(16:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,42,45,58H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,45-42-
HMDB44216	TG(16:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,58H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-
HMDB38515	L-gamma-Glutamyl-S-allylthio-L-cysteine	NC(CCC(=O)NC(CSSCC=C)C(O)=O)C(O)=O	InChI=1S/C11H18N2O5S2/c1-2-5-19-20-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)
HMDB38514	L-gamma-Glutamyl-beta-phenyl-beta-L-alanine	NC(CCC(=O)NC(CC(O)=O)C1=CC=CC=C1)C(O)=O	InChI=1S/C14H18N2O5/c15-10(14(20)21)6-7-12(17)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)
HMDB38517	Dinophysistoxin 2	CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C3CC(C)=CC4(OC(CC(C)(O)C(O)=O)CCC4O)O3)OC2C(O)C1=C)C1CCCC2(OCCCC2C)O1	InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+
HMDB38516	Linatine	NC(CCC(=O)NN1CCCC1C(O)=O)C(O)=O	InChI=1S/C10H17N3O5/c11-6(9(15)16)3-4-8(14)12-13-5-1-2-7(13)10(17)18/h6-7H,1-5,11H2,(H,12,14)(H,15,16)(H,17,18)
HMDB38511	Bisacumol	CC(CC(O)C=C(C)C)C1=CC=C(C)C=C1	InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3
HMDB38510	6-Methoxymellein	COC1=CC2=C(C(=O)OC(C)C2)C(O)=C1	InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3
HMDB38513	7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one	CC1=CN2CCCC2=NC1=O	InChI=1S/C8H10N2O/c1-6-5-10-4-2-3-7(10)9-8(6)11/h5H,2-4H2,1H3
HMDB38512	Bisacurol	CC(CC(O)C=C(C)C)C1CCC(=C)C=C1	InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-16H,3,6,8,10H2,1-2,4H3
HMDB38519	Arachidoside	COC1=C(O)C=CC(=C1)C1OC2=CC(O)=CC(O)=C2CC1O	InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3
HMDB38518	Desmosflavone	COC1=C(C)C2=C(C(=O)C=C(O2)C2=CC=CC=C2)C(O)=C1C	InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3
HMDB48621	TG(16:1(9Z)/18:1(11Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,32,54H,4-15,17-18,22,26,28-29,31,33-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,32-30-
HMDB15176	Melphalan	N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O	InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1
HMDB15177	Memantine	CC12CC3CC(C)(C1)CC(N)(C3)C2	InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
HMDB15174	Hydroxystilbamidine Isethionate	OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(N)=C1C=CC(=C\C=C2\C=CC(=CC2=O)C(N)=N)C=C1	InChI=1S/C16H16N4O.2C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;2*3-1-2-7(4,5)6/h1-9H,17-18H2,(H3,19,20);2*3H,1-2H2,(H,4,5,6)/b11-4-;;
HMDB15175	Thalidomide	O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12	InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
HMDB15172	Carphenazine	CCC(=O)C1=CC2=C(SC3=C(C=CC=C3)N2CCN2CCN(CCO)CC2)C=C1	InChI=1S/C23H29N3O2S/c1-2-21(28)18-7-8-23-20(17-18)26(19-5-3-4-6-22(19)29-23)14-13-24-9-11-25(12-10-24)15-16-27/h3-8,17,27H,2,9-16H2,1H3
HMDB15173	Fenofibrate	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1	InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
HMDB15170	Tolterodine	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C	InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
HMDB15171	Selegiline	CC(CC1=CC=CC=C1)N(C)CC#C	InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
HMDB15178	Gatifloxacin	COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1	InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
HMDB15179	Rifampin	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C	InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
HMDB42910	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-,45-42-
HMDB42911	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,33,36,42,45,54H,4-6,8-9,11-15,17-18,20-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,30-25-,36-33-,45-42-
HMDB42912	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,38-35-,47-44-
HMDB42913	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,8-9,11-15,17-18,20-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB14889	Epinastine	NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21	InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
HMDB14888	Prilocaine	CCCNC(C)C(=O)NC1=CC=CC=C1C	InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
HMDB42916	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-31,34,37,43,46,55H,4-6,8-9,11-15,17-18,21-22,25,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-,46-43-
HMDB42917	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,33,35-36,38,42,45,54H,4-6,8-9,11-15,18,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-
HMDB14885	Scopolamine	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1
HMDB14884	Deferoxamine	CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN	InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
HMDB14887	Etodolac	CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1	InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
HMDB14886	Carbinoxamine	CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1	InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3
HMDB14881	Gadobenate Dimeglumine	[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)C(COCC1=CC=CC=C1)C([O-])=O)CC([O-])=O)CC([O-])=O	InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
HMDB59090	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB14883	Modafinil	NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
HMDB14882	Zileuton	CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1	InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
HMDB58328	CL(18:1(9Z)/16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-41,46,50,58,62,77-79,84H,5-20,22-24,26-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB58329	CL(18:1(9Z)/16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB58324	CL(18:1(9Z)/16:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27,31,33-34,36-37,73-75,80H,5-26,28-30,32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB58325	CL(18:1(9Z)/16:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h33-38,73-75,80H,5-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB58326	CL(18:1(9Z)/16:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,34-39,74-76,81H,5-24,26-28,30-33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB58327	CL(18:1(9Z)/16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-40,44,52,56,75-77,82H,5-20,22-24,26-32,37,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,38-34-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB58320	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58321	CL(18:1(9Z)/16:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h33-36,71-73,78H,5-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-,36-34-/t72-,73-/m1/s1
HMDB58322	CL(18:1(9Z)/16:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h33-34,36-37,73-75,80H,5-32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-,37-34-/t73?,74-,75-/m1/s1
HMDB58323	CL(18:1(9Z)/16:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h27,31,33-36,71-73,78H,5-26,28-30,32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB29845	Chymopapain	[Na+].[Na+].OC1=CC(=CC(=C1O)S([O-])(=O)=O)S([O-])(=O)=O	InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
HMDB29844	Glyciram	[NH4+].CC12CCC(C)(CC1C1=CC(=O)C3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2)C(O)=O	InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/p+1
HMDB29847	7,7',8,8'-Tetrahydro-beta,beta-carotene	C\C(CCC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)CCC1=C(C)CCCC1(C)C	InChI=1S/C40H60/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22H,15-16,23-30H2,1-10H3/b12-11+,19-13+,20-14+,31-17+,32-18+,33-21+,34-22+
HMDB29846	Nonivamide	CCCCCCCCC(=O)NCC1=CC(OC)=C(O)C=C1	InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
HMDB29841	Vulgaxanthin II	OC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,15-4+
HMDB29840	Vulgaxanthin I	NC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,16-4+
HMDB29843	Glycyrrhizin	CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)
HMDB29842	Betalamic acid	OC(=O)C1C\C(=C\C=O)C=C(N1)C(O)=O	InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1+
HMDB29849	p-Mentha-1,8-dien-6-ol; (4S,6R)-form, O-b-D-Glucopyranoside	CC(=C)[C@H]1CC=C(C)[C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H26O6/c1-8(2)10-5-4-9(3)11(6-10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4,10-20H,1,5-7H2,2-3H3/t10-,11+,12+,13+,14-,15+,16+/m0/s1
HMDB29848	p-Mentha-1,8-dien-6-ol; (4R,6S)-form, O-b-D-Glucopyranoside	CC(=C)[C@@H]1CC=C(C)[C@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H26O6/c1-8(2)10-5-4-9(3)11(6-10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4,10-20H,1,5-7H2,2-3H3/t10-,11+,12-,13-,14+,15-,16-/m1/s1
HMDB48622	TG(16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,32,38,41,54H,4-15,17-18,22,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,32-30-,41-38-
HMDB00830	Neuraminic acid	N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O	InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1
HMDB43971	TG(16:0/22:0/20:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB59545	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,50-52,54-56,62-64,66-68,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47-49,53,57-61,65,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB43970	TG(16:0/22:0/18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB43973	TG(16:0/22:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB43972	TG(16:0/22:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB43975	TG(16:0/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB43974	TG(16:0/22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-
HMDB43977	TG(16:0/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h26,31,56H,4-25,27-30,32-55H2,1-3H3/b31-26-
HMDB43976	TG(16:0/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB04934	Ganglioside GD2 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C85H152N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-63(102)89-54(55(98)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)50-114-80-72(108)71(107)74(61(48-93)116-80)118-81-73(109)78(75(62(49-94)117-81)119-79-66(88-53(5)97)70(106)68(104)59(46-91)115-79)123-85(83(112)113)44-57(100)65(87-52(4)96)77(122-85)69(105)60(47-92)120-84(82(110)111)43-56(99)64(86-51(3)95)76(121-84)67(103)58(101)45-90/h39,41,54-62,64-81,90-94,98-101,103-109H,6-38,40,42-50H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,102)(H,110,111)(H,112,113)/b41-39+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75-,76?,77?,78+,79-,80+,81-,84+,85-/m0/s1
HMDB43979	TG(16:0/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,36,42,45,58H,4-25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b28-26-,36-33-,45-42-
HMDB04936	Ganglioside GM2 (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C61H109N3O26/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-38(71)37(64-44(74)28-26-24-22-19-14-12-10-8-6-2)34-83-58-51(79)50(78)53(42(32-67)85-58)87-59-52(80)56(54(43(33-68)86-59)88-57-46(63-36(4)70)49(77)48(76)41(31-66)84-57)90-61(60(81)82)29-39(72)45(62-35(3)69)55(89-61)47(75)40(73)30-65/h25,27,37-43,45-59,65-68,71-73,75-80H,5-24,26,28-34H2,1-4H3,(H,62,69)(H,63,70)(H,64,74)(H,81,82)/b27-25+/t37-,38+,39-,40+,41+,42+,43+,45+,46+,47+,48-,49+,50+,51+,52+,53+,54-,55?,56+,57-,58+,59-,61-/m0/s1
HMDB04937	Ganglioside GM2 (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(CC([C@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@@H](O)O3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H119N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(79)70-44(45(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(84)56(83)59(48(38-73)91-64)93-65-58(85)61(60(49(39-74)92-65)94-63-52(69-42(4)76)55(82)54(81)47(37-72)90-63)95-67(66(87)88)35-43(53(80)46(78)36-71)51(62(86)96-67)68-41(3)75/h19-20,31,33,43-49,51-65,71-74,77-78,80-86H,5-18,21-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,79)(H,87,88)/b20-19-,33-31+/t43?,44-,45+,46+,47+,48+,49+,51-,52+,53-,54-,55+,56+,57+,58+,59+,60-,61+,62-,63-,64+,65-,67-/m0/s1
HMDB04930	Ganglioside GD2 (d18:1/26:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H152N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(103)90-55(56(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-115-81-73(109)72(108)75(62(49-94)117-81)119-82-74(110)79(76(63(50-95)118-82)120-80-67(89-54(5)98)71(107)69(105)60(47-92)116-80)124-86(84(113)114)45-58(101)66(88-53(4)97)78(123-86)70(106)61(48-93)121-85(83(111)112)44-57(100)65(87-52(3)96)77(122-85)68(104)59(102)46-91/h20-21,40,42,55-63,65-82,91-95,99-102,104-110H,6-19,22-39,41,43-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/b21-20-,42-40+/t55-,56+,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76-,77?,78?,79+,80-,81+,82-,85+,86-/m0/s1
HMDB04931	Ganglioside GD2 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C86H154N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(103)90-55(56(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-115-81-73(109)72(108)75(62(49-94)117-81)119-82-74(110)79(76(63(50-95)118-82)120-80-67(89-54(5)98)71(107)69(105)60(47-92)116-80)124-86(84(113)114)45-58(101)66(88-53(4)97)78(123-86)70(106)61(48-93)121-85(83(111)112)44-57(100)65(87-52(3)96)77(122-85)68(104)59(102)46-91/h40,42,55-63,65-82,91-95,99-102,104-110H,6-39,41,43-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/b42-40+/t55-,56+,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76-,77?,78?,79+,80-,81+,82-,85+,86-/m0/s1
HMDB04932	Ganglioside GD2 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C84H150N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-62(101)88-53(54(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-113-79-71(107)70(106)73(60(47-92)115-79)117-80-72(108)77(74(61(48-93)116-80)118-78-65(87-52(5)96)69(105)67(103)58(45-90)114-78)122-84(82(111)112)43-56(99)64(86-51(4)95)76(121-84)68(104)59(46-91)119-83(81(109)110)42-55(98)63(85-50(3)94)75(120-83)66(102)57(100)44-89/h38,40,53-61,63-80,89-93,97-100,102-108H,6-37,39,41-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/b40-38+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74-,75?,76?,77+,78-,79+,80-,83+,84-/m0/s1
HMDB43978	TG(16:0/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,58H,4-25,27,29-57H2,1-3H3/b28-26-
HMDB04938	Ganglioside GM2 (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C65H117N3O26/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42(75)41(68-48(78)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)38-87-62-55(83)54(82)57(46(36-71)89-62)91-63-56(84)60(58(47(37-72)90-63)92-61-50(67-40(4)74)53(81)52(80)45(35-70)88-61)94-65(64(85)86)33-43(76)49(66-39(3)73)59(93-65)51(79)44(77)34-69/h29,31,41-47,49-63,69-72,75-77,79-84H,5-28,30,32-38H2,1-4H3,(H,66,73)(H,67,74)(H,68,78)(H,85,86)/b31-29+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58-,59?,60+,61-,62+,63-,65-/m0/s1
HMDB04939	Ganglioside GM2 (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C67H121N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(80)70-43(44(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(85)56(84)59(48(38-73)91-64)93-65-58(86)62(60(49(39-74)92-65)94-63-52(69-42(4)76)55(83)54(82)47(37-72)90-63)96-67(66(87)88)35-45(78)51(68-41(3)75)61(95-67)53(81)46(79)36-71/h31,33,43-49,51-65,71-74,77-79,81-86H,5-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,80)(H,87,88)/b33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61?,62+,63-,64+,65-,67-/m0/s1
HMDB48623	TG(16:1(9Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,56H,4-15,17-18,22,26,28-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-
HMDB39655	1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-cyclopenta[b]pyridin-7-one	C\C(O)=C1\CC(=O)C2=C1CCCN2	InChI=1S/C10H13NO2/c1-6(12)8-5-9(13)10-7(8)3-2-4-11-10/h11-12H,2-5H2,1H3/b8-6+
HMDB32602	4'-O-Methylkanzonol W	COC1=CC=C(C(O)=C1)C1=CC2=CC=C3OC(C)(C)C=CC3=C2OC1=O	InChI=1S/C21H18O5/c1-21(2)9-8-15-18(26-21)7-4-12-10-16(20(23)25-19(12)15)14-6-5-13(24-3)11-17(14)22/h4-11,22H,1-3H3
HMDB32601	Muzanzagenin	CC1C2C(CC3C4=CCC5=CC(=O)C(O)CC5(C)C4CC(O)C23C)OC11CCC(C)CO1	InChI=1S/C27H38O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h6,9,14-15,18-19,21-24,29-30H,5,7-8,10-13H2,1-4H3
HMDB39656	5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one	O=C1CC(C2=C1NCCC2)C1=CC=CO1	InChI=1S/C12H13NO2/c14-10-7-9(11-4-2-6-15-11)8-3-1-5-13-12(8)10/h2,4,6,9,13H,1,3,5,7H2
HMDB39651	3-Propyl-1,2-cyclopentanedione	CCCC1CCC(=O)C1=O.CCCC1=C(O)C(=O)CC1	InChI=1S/2C8H12O2/c2*1-2-3-6-4-5-7(9)8(6)10/h10H,2-5H2,1H3;6H,2-5H2,1H3
HMDB09718	PE(24:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16,45H,3-13,15,17-44,48H2,1-2H3,(H,51,52)/b16-14-/t45-/m1/s1
HMDB39650	4-Formyl-3-(formylmethyl)-4-hexenoic acid	C\C=C(\C=O)C(CC=O)CC(O)=O	InChI=1S/C9H12O4/c1-2-7(6-11)8(3-4-10)5-9(12)13/h2,4,6,8H,3,5H2,1H3,(H,12,13)/b7-2-
HMDB39653	2,4,6-Trimethyl-1,3,5-dioxathiane	CC1OC(C)SC(C)O1	InChI=1S/C6H12O2S/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
HMDB32604	2-Methoxybenzoic acid	COC1=CC=CC=C1C(O)=O	InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
HMDB43641	TG(15:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,52H,4-7,9-10,12-16,18,21,23-25,30-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-
HMDB12319	3-O-Sulfogalactosylceramide (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H95NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)42-60-50-48(56)49(62-63(57,58)59)47(55)45(41-52)61-50/h17-18,37,39,43-45,47-50,52-53,55-56H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)(H,57,58,59)/b18-17-,39-37+/t43-,44+,45+,47-,48?,49?,50+/m0/s1
HMDB12318	3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46?,47?,48+/m0/s1
HMDB12313	3-O-Sulfogalactosylceramide (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC	InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38?,39?,40+/m0/s1
HMDB12312	3-O-Sulfogalactosylceramide (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C38H73NO11S/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2)30-48-38-36(44)37(50-51(45,46)47)35(43)33(29-40)49-38/h25,27,31-33,35-38,40-41,43-44H,3-24,26,28-30H2,1-2H3,(H,39,42)(H,45,46,47)/b27-25+/t31-,32+,33+,35-,36?,37?,38+/m0/s1
HMDB12311	3-O-Sulfogalactosylceramide (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCC	InChI=1S/C36H69NO11S/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(37-32(40)26-24-22-20-17-12-10-8-6-4-2)28-46-36-34(42)35(48-49(43,44)45)33(41)31(27-38)47-36/h23,25,29-31,33-36,38-39,41-42H,3-22,24,26-28H2,1-2H3,(H,37,40)(H,43,44,45)/b25-23+/t29-,30+,31+,33-,34?,35?,36+/m0/s1
HMDB12310	2-Methyl-1-hydroxybutyl-ThPP	CC[C@H](C)C(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1	InChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t10-,15?/m0/s1
HMDB12317	3-O-Sulfogalactosylceramide (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H79NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h17-18,29,31,35-37,39-42,44-45,47-48H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b18-17-,31-29+/t35-,36+,37+,39-,40?,41?,42+/m0/s1
HMDB12316	3-O-Sulfogalactosylceramide (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC	InChI=1S/C46H89NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-56-46-44(52)45(58-59(53,54)55)43(51)41(37-48)57-46/h33,35,39-41,43-46,48-49,51-52H,3-32,34,36-38H2,1-2H3,(H,47,50)(H,53,54,55)/b35-33+/t39-,40+,41+,43-,44?,45?,46+/m0/s1
HMDB12315	3-O-Sulfogalactosylceramide (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC	InChI=1S/C44H85NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-54-44-42(50)43(56-57(51,52)53)41(49)39(35-46)55-44/h31,33,37-39,41-44,46-47,49-50H,3-30,32,34-36H2,1-2H3,(H,45,48)(H,51,52,53)/b33-31+/t37-,38+,39+,41-,42?,43?,44+/m0/s1
HMDB12314	3-O-Sulfogalactosylceramide (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC	InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40?,41?,42+/m0/s1
HMDB59059	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,47-48,52,55,59-60,64,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB56209	DG(18:1n9/0:0/22:5n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,41,44H,3-10,12,14-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-
HMDB37848	N-(1-Deoxy-1-fructosyl)glycine	OCC(O)C(O)C(O)C(=O)CNCC(O)=O.OCC1OC(O)(CNCC(O)=O)C(O)C1O.OC1COC(O)(CNCC(O)=O)C(O)C1O	InChI=1S/3C8H15NO7/c10-4-2-16-8(15,7(14)6(4)13)3-9-1-5(11)12;10-2-4-6(13)7(14)8(15,16-4)3-9-1-5(11)12;10-3-5(12)8(16)7(15)4(11)1-9-2-6(13)14/h2*4,6-7,9-10,13-15H,1-3H2,(H,11,12);5,7-10,12,15-16H,1-3H2,(H,13,14)
HMDB59058	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,49-50,53,55,57,60-62,64-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-/t85?,86-,87-/m1/s1
HMDB56205	DG(18:1n9/0:0/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,39,42H,3-10,12,14-16,20,23,25-38H2,1-2H3/b13-11-,19-17-,21-18-,24-22-
HMDB56204	DG(18:1n9/0:0/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17-18,20,38,41H,3-8,10,12-14,16,19,21-37H2,1-2H3/b11-9-,17-15-,20-18-
HMDB56207	DG(18:1n9/0:0/22:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,41,44H,3-10,12,14-16,20-22,24-40H2,1-2H3/b13-11-,19-17-,23-18-
HMDB37849	Hexyl 2-methylpropanoate	CCCCCCOC(=O)C(C)C	InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
HMDB56201	DG(18:1n9/0:0/24:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17-19,25,43,46H,3-16,20-24,26-42H2,1-2H3/b19-17-,25-18-
HMDB56200	DG(18:1n9/0:0/22:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17-19,23,41,44H,3-16,20-22,24-40H2,1-2H3/b19-17-,23-18-
HMDB56203	DG(18:1n9/0:0/18:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,37,40H,3-10,12,14-16,21-22,24,26-36H2,1-2H3/b13-11-,19-17-,20-18-,25-23-
HMDB56202	DG(18:1n9/0:0/18:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18-21,38,41H,3-12,14,16-17,22-37H2,1-2H3/b15-13-,20-18-,21-19-
HMDB37846	N-(1-Deoxy-1-fructosyl)phenylalanine	OCC(O)C(O)C(O)C(=O)CNC(CC1=CC=CC=C1)C(O)=O.OCC1OC(O)(CNC(CC2=CC=CC=C2)C(O)=O)C(O)C1O.OC1COC(O)(CNC(CC2=CC=CC=C2)C(O)=O)C(O)C1O	InChI=1S/3C15H21NO7/c17-11-7-23-15(22,13(19)12(11)18)8-16-10(14(20)21)6-9-4-2-1-3-5-9;17-7-11-12(18)13(19)15(22,23-11)8-16-10(14(20)21)6-9-4-2-1-3-5-9;17-8-12(19)14(21)13(20)11(18)7-16-10(15(22)23)6-9-4-2-1-3-5-9/h2*1-5,10-13,16-19,22H,6-8H2,(H,20,21);1-5,10,12-14,16-17,19-21H,6-8H2,(H,22,23)
HMDB30815	Mammea E/BA	CCC(OC(C)=O)C1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C(CC=C(C)C)C(O)=C12	InChI=1S/C24H30O7/c1-7-18(30-14(6)25)16-11-19(27)31-24-20(16)22(28)15(9-8-12(2)3)23(29)21(24)17(26)10-13(4)5/h8,11,13,18,28-29H,7,9-10H2,1-6H3
HMDB37844	N-(1-Deoxy-1-fructosyl)valine	CC(C)C(NCC(=O)C(O)C(O)C(O)CO)C(O)=O.CC(C)C(NCC1(O)OC(CO)C(O)C1O)C(O)=O.CC(C)C(NCC1(O)OCC(O)C(O)C1O)C(O)=O	InChI=1S/3C11H21NO7/c1-5(2)7(10(16)17)12-4-11(18)9(15)8(14)6(13)3-19-11;1-5(2)7(10(16)17)12-4-11(18)9(15)8(14)6(3-13)19-11;1-5(2)8(11(18)19)12-3-6(14)9(16)10(17)7(15)4-13/h2*5-9,12-15,18H,3-4H2,1-2H3,(H,16,17);5,7-10,12-13,15-17H,3-4H2,1-2H3,(H,18,19)
HMDB50333	TG(20:1(11Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,55H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-
HMDB50332	TG(20:1(11Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,34,36,53H,4-7,9-10,12-16,18-19,21-24,28,30-33,35,37-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,36-34-
HMDB50331	TG(20:1(11Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,53H,4-7,9-10,12-16,18-19,21-24,28,30-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-
HMDB37845	N-(1-Deoxy-1-fructosyl)tyrosine	OCC(O)C(O)C(O)C(=O)CNC(CC1=CC=C(O)C=C1)C(O)=O.OCC1OC(O)(CNC(CC2=CC=C(O)C=C2)C(O)=O)C(O)C1O.OC1COC(O)(CNC(CC2=CC=C(O)C=C2)C(O)=O)C(O)C1O	InChI=1S/3C15H21NO8/c17-9-3-1-8(2-4-9)5-10(14(21)22)16-7-15(23)13(20)12(19)11(18)6-24-15;17-6-11-12(19)13(20)15(23,24-11)7-16-10(14(21)22)5-8-1-3-9(18)4-2-8;17-7-12(20)14(22)13(21)11(19)6-16-10(15(23)24)5-8-1-3-9(18)4-2-8/h2*1-4,10-13,16-20,23H,5-7H2,(H,21,22);1-4,10,12-14,16-18,20-22H,5-7H2,(H,23,24)
HMDB50337	TG(20:1(11Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-
HMDB50336	TG(20:1(11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,44,47,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-,47-44-
HMDB50335	TG(20:1(11Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-
HMDB50334	TG(20:1(11Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,41,55H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,41-38-
HMDB37842	N-(1-Deoxy-1-fructosyl)serine	OCC(O)C(O)C(O)C(=O)CNC(CO)C(O)=O.OCC(NCC1(O)OC(CO)C(O)C1O)C(O)=O.OCC(NCC1(O)OCC(O)C(O)C1O)C(O)=O	InChI=1S/3C9H17NO8/c11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(12)2-18-9;11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(2-12)18-9;11-2-4(9(17)18)10-1-5(13)7(15)8(16)6(14)3-12/h2*4-7,10-14,17H,1-3H2,(H,15,16);4,6-8,10-12,14-16H,1-3H2,(H,17,18)
HMDB50339	TG(20:1(11Z)/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31,34,39,42,56H,4-24,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b27-25-,28-26-,34-31-,42-39-
HMDB50338	TG(20:1(11Z)/16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,56H,4-24,29-55H2,1-3H3/b27-25-,28-26-
HMDB37843	N-(1-Deoxy-1-fructosyl)threonine	CC(O)C(NCC(=O)C(O)C(O)C(O)CO)C(O)=O.CC(O)C(NCC1(O)OC(CO)C(O)C1O)C(O)=O.CC(O)C(NCC1(O)OCC(O)C(O)C1O)C(O)=O	InChI=1S/3C10H19NO8/c1-4(12)6(9(16)17)11-3-10(18)8(15)7(14)5(13)2-19-10;1-4(13)6(9(16)17)11-3-10(18)8(15)7(14)5(2-12)19-10;1-4(13)7(10(18)19)11-2-5(14)8(16)9(17)6(15)3-12/h2*4-8,11-15,18H,2-3H2,1H3,(H,16,17);4,6-9,11-13,15-17H,2-3H2,1H3,(H,18,19)
HMDB59051	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,41,44-46,48-50,52,54,57,60-62,64,66,83-85,90H,5-20,24,28-32,40,42-43,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB37840	N-(1-Deoxy-1-fructosyl)leucine	CC(C)CC(NCC(=O)C(O)C(O)C(O)CO)C(O)=O.CC(C)CC(NCC1(O)OC(CO)C(O)C1O)C(O)=O.CC(C)CC(NCC1(O)OCC(O)C(O)C1O)C(O)=O	InChI=1S/3C12H23NO7/c1-6(2)3-7(11(17)18)13-5-12(19)10(16)9(15)8(14)4-20-12;1-6(2)3-7(11(17)18)13-5-12(19)10(16)9(15)8(4-14)20-12;1-6(2)3-7(12(19)20)13-4-8(15)10(17)11(18)9(16)5-14/h2*6-10,13-16,19H,3-5H2,1-2H3,(H,17,18);6-7,9-11,13-14,16-18H,3-5H2,1-2H3,(H,19,20)
HMDB30813	Cassiachromone	CC(=O)CC1=CC(O)=CC2=C1C(=O)C=C(C)O2	InChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3
HMDB14843	Delavirdine	CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2	InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
HMDB53581	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,37,40-41,44,46,49,59H,4-8,10-11,13,15,20,22,24,29-30,34-36,38-39,42-43,45,47-48,50-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,44-41-,49-46-
HMDB51789	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,39,45,48,54,57,66H,4-15,17,20,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB53583	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-13,16-18,20-22,25-27,29-30,35,37-38,40,55H,4-7,10,14-15,19,23-24,28,31-34,36,39,41-54H2,1-3H3/b11-8-,12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-,40-37-
HMDB53582	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-13,16-18,20-22,25-27,29-30,37,40,55H,4-7,10,14-15,19,23-24,28,31-36,38-39,41-54H2,1-3H3/b11-8-,12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,40-37-
HMDB53585	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,35,39,41-42,44,57H,4-6,8,11,13,15,20,22,24,29-30,32,34,36-38,40,43,45-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-,44-41-
HMDB53584	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,35,39,42,57H,4-6,8,11,13,15,20,22,24,29-30,32,34,36-38,40-41,43-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-
HMDB00899	Androstanedione	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
HMDB00898	1-Methylhistamine	CN1C=NC(CCN)=C1	InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
HMDB00897	7-Methylguanine	CN1C=NC2=C1C(=O)N=C(N)N2	InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
HMDB00896	Taurodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
HMDB00895	Acetylcholine	CC(=O)OCC[N+](C)(C)C	InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
HMDB00894	Vinylacetylglycine	OC(=O)CNC(=O)CC=C	InChI=1S/C6H9NO3/c1-2-3-5(8)7-4-6(9)10/h2H,1,3-4H2,(H,7,8)(H,9,10)
HMDB00893	Suberic acid	OC(=O)CCCCCCC(O)=O	InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
HMDB00892	Valeric acid	CCCCC(O)=O	InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
HMDB00890	Uroporphyrin IV	OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CC(O)=O)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(O)=O)/C(CCC(O)=O)=C3CC(O)=O	InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)23(11-39(57)58)31(43-27)16-32-24(12-40(59)60)20(4-8-36(51)52)28(44-32)15-30-22(10-38(55)56)18(2-6-34(47)48)26(42-30)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
HMDB37561	Linden ether	CC1=C2CCC(C)=CC2OC1	InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,10H,3-4,6H2,1-2H3
HMDB59057	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63,66,70,85-87,92H,5-8,10-12,14-20,24,28-32,40-41,44,49-50,53,55,57,60-62,64-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-,70-66-/t85?,86-,87-/m1/s1
HMDB59056	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-46,48-50,52,54,57,60-61,64,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,47,51,53,55-56,58-59,62-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,52-48-,54-50-,61-57-,64-60-/t83?,84-,85-/m1/s1
HMDB51781	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,41,44,63H,4-16,18-19,21-24,27,30-33,35,37-40,42-43,45-62H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,44-41-
HMDB37560	3,7,8,15-Scirpenetetrol	CC1=CC2OC3C(O)CC(C)(C33CO3)C2(CO)C(O)C1O	InChI=1S/C15H22O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3
HMDB51780	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB00765	Mannitol	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
HMDB00764	Hydrocinnamic acid	OC(=O)CCC1=CC=CC=C1	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
HMDB11668	6-(alpha-D-Glucosaminyl)-1D-myo-inositol	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O	InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1
HMDB11669	6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC(C)=O)OC(C)=O	InChI=1S/C21H36NO18P/c1-7(24)22-12-14(28)13(27)11(4-23)38-21(12)39-19-17(31)15(29)16(30)18(32)20(19)40-41(33,34)36-6-10(37-9(3)26)5-35-8(2)25/h10-21,23,27-32H,4-6H2,1-3H3,(H,22,24)(H,33,34)/t10?,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21-/m1/s1
HMDB00761	Lithocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17-,18+,19-,20+,21+,23+,24-/m1/s1
HMDB00760	Hyocholic acid	[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](O)[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15?,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
HMDB00763	5-Hydroxyindoleacetic acid	OC(=O)CC1=CNC2=CC=C(O)C=C12	InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
HMDB11662	3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate	[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@]2([H])[C@]1(C)CC[C@H](O)[C@@]2(C)C(O)=O	InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21?,22+,23+,24-,25+,27-,28-,29+/m1/s1
HMDB11663	3-Hydroxyphenylpyruvic acid	OC(=O)C(=O)CC1=CC(O)=CC=C1	InChI=1S/C9H8O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
HMDB11660	2-Methylhexanoyl-CoA	CCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C28H48N7O17P3S/c1-5-6-7-16(2)27(40)56-11-10-30-18(36)8-9-31-25(39)22(38)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,5-13H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t16?,17-,20-,21-,22?,26-/m1/s1
HMDB11661	2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol	COC1=CC(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1O	InChI=1S/C38H60O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27,36,38-40H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+
HMDB11667	5-L-Glutamylglycine	N[C@@H](CCC(=O)NCC(O)=O)C(O)=O	InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
HMDB11664	3-Methylene-indolenine	C=C1C=NC2=CC=CC=C12	InChI=1S/C9H7N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H2
HMDB52188	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,42,45,61H,4-17,19-20,22-24,26,29-34,36-41,43-44,46-60H2,1-3H3/b21-18-,28-25-,35-27-,45-42-
HMDB52189	TG(24:1(15Z)/20:2n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C70H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-44-47-50-53-56-59-62-68(71)74-65-67(76-70(73)64-61-58-55-52-49-46-41-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,67H,4-14,16-17,19-23,30-66H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB52182	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,34-35,42,45,60H,4-7,9-10,12-16,19,22-24,29-33,36-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,45-42-
HMDB52183	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,34-35,40,42-43,45,60H,4-7,9-10,12-16,19,22-24,29-33,36-39,41,44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,45-42-
HMDB52180	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,41,44,46,49,64H,4-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-
HMDB52181	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,41,44,46,49-50,53,64H,4-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-
HMDB52186	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,41,44,46,49,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-
HMDB52187	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,41,44,46,49-50,53,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-
HMDB52184	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,39,44,47,62H,4-7,9-10,12-16,19,22-24,30-35,38,40-43,45-46,48-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-
HMDB52185	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,39,44-45,47-48,62H,4-7,9-10,12-16,19,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB37562	Riesling acetal	CC1=CC(O)CC(C)(C)C11CCC(C)(O)O1	InChI=1S/C13H22O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,10,14-15H,5-6,8H2,1-4H3
HMDB57642	CL(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57643	CL(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-37,40-44,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,38-39,45-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57640	CL(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,44,48,56,60,77-79,84H,5-20,22-24,26,29-30,35,37,41-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57641	CL(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-41,44,48,56,60,77-79,84H,5-20,22-24,26-27,29-31,37,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57646	CL(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,44,48,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-44-/t77?,78-,79-/m1/s1
HMDB57647	CL(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-37,40-44,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,38-39,45-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57644	CL(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,43,46,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-43-/t75?,76-,77-/m1/s1
HMDB57645	CL(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,44,48,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-44-/t77?,78-,79-/m1/s1
HMDB57648	CL(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-37,40-44,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB57649	CL(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB06372	L-Glyceric acid	OC[C@H](O)C(O)=O	InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1
HMDB06643	Lacto-N-fucoheptaose	CC1OC(OC2(CC(NC(C)=O)C(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC2CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C46H78N2O35/c1-12-24(59)30(65)34(69)44(73-12)82-46(83-45-35(70)32(67)27(62)19(8-52)75-45)4-15(47-13(2)55)40(78-22(46)10-54)81-39-28(63)21(77-43(36(39)71)79-37(17(58)6-50)25(60)16(57)5-49)11-72-41-23(48-14(3)56)29(64)38(20(9-53)76-41)80-42-33(68)31(66)26(61)18(7-51)74-42/h5,12,15-45,50-54,57-71H,4,6-11H2,1-3H3,(H,47,55)(H,48,56)
HMDB52230	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,38,41,47,50,62H,4-8,10-11,13-16,19,22-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,50-47-
HMDB52231	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36,38,41-42,45,47,50,62H,4-8,10-11,13-16,19,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB52232	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,49,52,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB52233	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,47,49-50,52,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB52234	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,42-43,45-46,51,54,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB00789	Pentacarboxylporphyrin I	CC1=C(CCC(O)=O)/C2=C/C3=C(CCC(O)=O)C(CC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(C)=C3CCC(O)=O	InChI=1S/C37H38N4O10/c1-17-20(4-8-33(42)43)28-14-27-19(3)22(6-10-35(46)47)30(40-27)16-32-24(12-37(50)51)23(7-11-36(48)49)31(41-32)15-29-21(5-9-34(44)45)18(2)26(39-29)13-25(17)38-28/h13-16,39,41H,4-12H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-16-,31-15-,32-16-
HMDB52236	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,47,50,63H,4-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b20-17-,28-25-,29-26-,41-38-,50-47-
HMDB52237	TG(24:1(15Z)/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C73H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,70H,4-17,19-20,22-24,31-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-
HMDB52238	TG(24:1(15Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C68H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,39,65H,4-16,18-19,22-23,27,31-38,40-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,39-30-
HMDB52239	TG(24:1(15Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,44,47,64H,4-16,19,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-,47-44-
HMDB00788	Orotidine	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C(=O)NC(=O)C=C1C(O)=O	InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1
HMDB54175	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB01385	3-Keto-b-D-galactose	OC[C@H]1O[C@@H](O)[C@H](O)C(=O)[C@H]1O	InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m1/s1
HMDB54177	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,42-43,45-46,59H,4-15,18,22-23,27,31-32,38-41,44,47-58H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,45-42-,46-43-
HMDB01387	N-Methylphenylethanolamine	CNCC(O)C1=CC=CC=C1	InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
HMDB01380	Diguanosine pentaphosphate	NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1O[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@H](O)[C@@H]1O	InChI=1S/C20H29N10O24P5/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(49-17)1-47-55(37,38)51-57(41,42)53-59(45,46)54-58(43,44)52-56(39,40)48-2-6-10(32)12(34)18(50-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6+,9-,10+,11-,12+,17-,18+
HMDB01381	Prostaglandin H2	CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
HMDB01382	Vaporole	CC(C)CCON=O	InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
HMDB01383	Sphinganine 1-phosphate	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O	InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1
HMDB01388	Alpha-Linolenic acid	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
HMDB01389	Melatonin	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1	InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
HMDB40664	Veranisatin B	COC(=O)C1(O)C2CC3(C(C)CCC3(O)C11COC1=O)C(O)C(=O)O2	InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3
HMDB40665	Capsicoside C	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C	InChI=1S/C52H88O25/c1-20(19-69-46-41(65)37(61)34(58)29(15-53)71-46)8-11-52(68-5)21(2)33-28(77-52)13-25-23-7-6-22-12-27(26(57)14-51(22,4)24(23)9-10-50(25,33)3)70-47-43(67)40(64)44(32(18-56)74-47)75-49-45(39(63)36(60)31(17-55)73-49)76-48-42(66)38(62)35(59)30(16-54)72-48/h20-49,53-67H,6-19H2,1-5H3
HMDB40666	Capsicoside B	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C	InChI=1S/C58H98O30/c1-21(20-78-51-44(73)40(69)36(65)30(15-59)80-51)8-11-58(77-5)22(2)35-29(88-58)13-26-24-7-6-23-12-28(27(64)14-57(23,4)25(24)9-10-56(26,35)3)79-52-47(76)43(72)48(34(19-63)84-52)85-55-50(87-54-46(75)42(71)38(67)32(17-61)82-54)49(39(68)33(18-62)83-55)86-53-45(74)41(70)37(66)31(16-60)81-53/h21-55,59-76H,6-20H2,1-5H3
HMDB40667	3-trans-p-Coumaroylrotundic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O	InChI=1S/C39H54O7/c1-24-15-20-39(33(43)44)22-21-36(4)27(32(39)38(24,6)45)12-13-29-34(2)18-17-30(35(3,23-40)28(34)16-19-37(29,36)5)46-31(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32,40-41,45H,13,15-23H2,1-6H3,(H,43,44)/b14-9+
HMDB40660	Hoduloside VIII	CC(C)(O)\C=C\CC(C)(O)C1C2CCC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)CC1=O	InChI=1S/C46H76O18/c1-41(2,57)13-8-14-45(7,58)30-22-9-10-28-43(5)15-12-29(64-39-36(55)32(51)25(49)19-60-39)42(3,4)27(43)11-16-44(28,6)46(22,17-23(30)47)21-62-40-37(56)34(53)33(52)26(63-40)20-61-38-35(54)31(50)24(48)18-59-38/h8,13,22,24-40,48-58H,9-12,14-21H2,1-7H3/b13-8+
HMDB40661	Hoduloside IX	CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(O)C(O)C1O	InChI=1S/C52H86O22/c1-23-33(56)37(60)41(64)45(71-23)74-42-35(58)27(55)20-68-46(42)73-31-13-16-49(6)29(48(31,4)5)12-17-50(7)30(49)11-10-24-32(51(8,66)15-9-14-47(2,3)65)25(53)18-52(24,50)22-70-44-40(63)38(61)36(59)28(72-44)21-69-43-39(62)34(57)26(54)19-67-43/h9,14,23-24,26-46,54-66H,10-13,15-22H2,1-8H3/b14-9+
HMDB40662	Hoduloside X	CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(CO)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C53H88O23/c1-23-33(58)39(64)43(75-45-41(66)38(63)36(61)28(20-55)73-45)47(71-23)76-42-34(59)26(57)21-69-46(42)74-31-13-16-50(6)29(49(31,4)5)12-17-51(7)30(50)11-10-24-32(52(8,68)15-9-14-48(2,3)67)25(56)18-53(24,51)22-70-44-40(65)37(62)35(60)27(19-54)72-44/h9,14,23-24,26-47,54-55,57-68H,10-13,15-22H2,1-8H3/b14-9+
HMDB40663	Veranisatin A	COCC1(O)C2CC3(C(C)CCC3(O)C11COC1=O)C(O)C(=O)O2	InChI=1S/C16H22O8/c1-8-3-4-16(21)13(8)5-9(24-11(18)10(13)17)15(20,7-22-2)14(16)6-23-12(14)19/h8-10,17,20-21H,3-7H2,1-2H3
HMDB51525	TG(22:1(13Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB51524	TG(22:1(13Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-
HMDB51527	TG(22:1(13Z)/14:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-
HMDB51526	TG(22:1(13Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,65H,4-25,27-28,30-64H2,1-3H3/b29-26-
HMDB40668	Blumenol C glucoside	CC(CCC1C(C)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3
HMDB40669	(+)-Pinoresinol 4-O-[beta-D-Glucopyranosyl-(1-&gt;2)-[beta-D-glucopyranosyl-(1-&gt;6)]-beta-D-glucopyranoside]	COC1=CC(=CC=C1O)C1OCC2C1COC2C1=CC=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(OC)=C1	InChI=1S/C38H52O21/c1-50-20-7-14(3-5-18(20)41)33-16-11-53-34(17(16)12-52-33)15-4-6-19(21(8-15)51-2)55-38-35(59-37-32(49)29(46)26(43)23(10-40)57-37)30(47)27(44)24(58-38)13-54-36-31(48)28(45)25(42)22(9-39)56-36/h3-8,16-17,22-49H,9-13H2,1-2H3
HMDB51523	TG(22:1(13Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-,52-49-
HMDB51522	TG(22:1(13Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,66H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-
HMDB55717	TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,39-40,42-43,56H,4-6,9,12-15,18,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB35808	Tomentosolic acid	CC1=C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1)C(O)=O	InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33)
HMDB35809	gamma-Taraxasterol	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3
HMDB35801	p-Mentha-1(7),5-dien-2-ol; (2S,4R)-form, Ac	CC(C)C1CC(OC(C)=O)C(=C)C=C1	InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3
HMDB35802	S-Japonin	CS\C=C\C(=O)OC1CC(C)C2(C)CC(=C(C)C)C(=O)CC2C1	InChI=1S/C19H28O3S/c1-12(2)16-11-19(4)13(3)8-15(9-14(19)10-17(16)20)22-18(21)6-7-23-5/h6-7,13-15H,8-11H2,1-5H3/b7-6+
HMDB35803	Schleicherastatin 2	CCC(CC(O)C(C)C1CCC2C3C(OC)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C30H52O3/c1-8-20(18(2)3)15-26(32)19(4)23-9-10-24-28-25(12-14-30(23,24)6)29(5)13-11-22(31)16-21(29)17-27(28)33-7/h17-20,22-28,31-32H,8-16H2,1-7H3
HMDB35804	Schleicherastatin 5	CCC(CC(O)C(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O)C(C)C	InChI=1S/C29H48O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-25,27,30-31H,7-15H2,1-6H3
HMDB35805	Thellungianin G	CCC(C)C(=O)OC1=C(C=C(OC)C=C1)C1OC1C	InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3
HMDB35806	20-Taraxasten-3-ol; 3b-form, Ac	CC1C2C3CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C	InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3
HMDB35807	Nitrogen oxide (N2O)	N=[N]=O	InChI=1S/HN2O/c1-2-3/h1H
HMDB55711	TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB56995	CL(18:0/18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37,40,42,46,54,58,77-79,84H,5-20,22-24,26-32,34,36,38-39,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,40-35-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB56994	CL(18:0/18:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35,37,39,41,76-78,83H,5-24,26-28,30-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB56997	CL(18:0/18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37,39-40,42,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,36,38,41,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,52-48-/t79?,80-,81-/m1/s1
HMDB47833	TG(14:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,33,36,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-,36-33-
HMDB56991	CL(18:0/18:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32-33,36,73-75,80H,5-27,29-31,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-/t73?,74-,75-/m1/s1
HMDB56990	CL(18:0/18:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33,37,75-77,82H,5-32,34-36,38-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-/t75?,76-,77-/m1/s1
HMDB56993	CL(18:0/18:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33,35,37,39,75-77,82H,5-32,34,36,38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,39-35-/t75?,76-,77-/m1/s1
HMDB56992	CL(18:0/18:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,33,37,75-77,82H,5-26,28-30,32,34-36,38-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,37-33-/t75?,76-,77-/m1/s1
HMDB54223	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB56998	CL(18:0/18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37,39-40,42,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB09573	PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,36,38,47H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
HMDB09572	PE(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,47H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1
HMDB09571	PE(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,36,38,47H,3-10,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
HMDB09570	PE(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,47H,3-10,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1
HMDB09577	PE(22:2(13Z,16Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40,44H,3-10,12,14-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,40-37-/t44-/m1/s1
HMDB09576	PE(22:2(13Z,16Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,38,42H,3-10,12,14-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,38-35-/t42-/m1/s1
HMDB09575	PE(22:2(13Z,16Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,49H,3-11,13,15-16,21-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-/t49-/m1/s1
HMDB09574	PE(22:2(13Z,16Z)/24:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,49H,3-11,13,15-17,19,21-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-/t49-/m1/s1
HMDB07517	DG(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29,31,41,44H,3-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1
HMDB07516	DG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,29-32,41,44H,3-10,12,14-16,21-22,27-28,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB09579	PE(22:2(13Z,16Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40,44H,3-10,12,14-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,40-37-/t44-/m1/s1
HMDB09578	PE(22:2(13Z,16Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,37,40,44H,3-10,12,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,40-37-/t44-/m1/s1
HMDB07513	DG(20:4(5Z,8Z,11Z,14Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,41,44H,3-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b13-11-,19-17-,25-23-,31-29-/t41-/m0/s1
HMDB07512	DG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,39,42H,3-5,7,9-10,15-16,20,24-25,30-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1
HMDB07511	DG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,27,29,39,42H,3-5,7,9-10,15-16,20,24-26,28,30-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB07510	DG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,39,42H,3-10,15-16,20,24-25,30-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1
HMDB33323	Isosilychristin	COC1=C(O)C=CC(=C1)C1OC2=C(O)C=CC(C3OC4=C(C(O)=CC(O)=C4)C(=O)C3O)=C2C1CO	InChI=1S/C25H22O10/c1-33-17-6-10(2-4-14(17)28)23-13(9-26)19-12(3-5-15(29)25(19)35-23)24-22(32)21(31)20-16(30)7-11(27)8-18(20)34-24/h2-8,13,22-24,26-30,32H,9H2,1H3
HMDB33322	Isosilybin	COC1=CC(=CC=C1O)C1OC2=C(OC1CO)C=C(C=C2)C1OC2=C(C(O)=CC(O)=C2)C(=O)C1O	InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
HMDB33321	3,5-Dihydroxy-6,7-methylenedioxyflavanone	OC1C(OC2=C(C(O)=C3OCOC3=C2)C1=O)C1=CC=CC=C1	InChI=1S/C16H12O6/c17-12-11-9(6-10-16(13(11)18)21-7-20-10)22-15(14(12)19)8-4-2-1-3-5-8/h1-6,14-15,18-19H,7H2
HMDB33320	Yessotoxin	CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)CC=C	InChI=1S/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)/b15-12+
HMDB33327	Annonacin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC(O)CC1=C(C)COC1=O	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-30-27(2)26-41-35(30)40/h28-29,31-34,36-39H,3-26H2,1-2H3
HMDB33326	BR-Xanthone B	COC1=C(O)C=C(O)C2=C1C(=O)C1=C(O2)C(O)=CC=C1	InChI=1S/C14H10O6/c1-19-13-8(16)5-9(17)14-10(13)11(18)6-3-2-4-7(15)12(6)20-14/h2-5,15-17H,1H3
HMDB33325	Silandrin	COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=C(C=C2)C1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3
HMDB33324	Silyhermin	COC1=C(O)C=CC(=C1)C1OC2=C(O)C=C(C=C2C1CO)C1CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C25H22O9/c1-32-21-6-11(2-3-16(21)28)24-15(10-26)14-4-12(5-19(31)25(14)34-24)20-9-18(30)23-17(29)7-13(27)8-22(23)33-20/h2-8,15,20,24,26-29,31H,9-10H2,1H3
HMDB33329	Coriandrin	COC1=C2C=COC2=CC2=C1C(=O)OC(C)=C2	InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3
HMDB33328	BR-Xanthone A	CC1(C)CCC2=C(O)C3=C(OC4=C(C3=O)C3=C(OC(C)(C)CC3)C(O)=C4)C=C2O1	InChI=1S/C23H24O6/c1-22(2)7-5-11-14(28-22)10-16-18(19(11)25)20(26)17-12-6-8-23(3,4)29-21(12)13(24)9-15(17)27-16/h9-10,24-25H,5-8H2,1-4H3
HMDB41137	Corchorosol A	CC1OC(CC(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C29H44O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,16,18-22,24-25,30-31,33-35H,3-10,12-15H2,1-2H3
HMDB41136	3''-Chloro-3''-deoxytriphasiol	CC(C)C(=O)CC1=C(OCC(O)C(C)(C)Cl)C=CC2=C1OC(=O)C=C2	InChI=1S/C19H23ClO5/c1-11(2)14(21)9-13-15(24-10-16(22)19(3,4)20)7-5-12-6-8-17(23)25-18(12)13/h5-8,11,16,22H,9-10H2,1-4H3
HMDB41135	2-Deoxybrassinolide	CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3
HMDB41134	Spirostane-2,3-diol; (2a,3b,5a,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-b-D-glucopyranosyl-(1-&gt;4)-b-D-galactopyranoside]	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3
HMDB41133	N-Methoxyspirobrassinol	CON1C(O)C2(CN=C(SC)S2)C2=C1C=CC=C2	InChI=1S/C12H14N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6,10,15H,7H2,1-2H3
HMDB41132	2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (2a,3b)-form, 3-O-b-D-Glucopyranoside	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H56O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,18,20-29,37,39-42H,8-17H2,1-6H3,(H,43,44)
HMDB41131	Prosapogenin	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)
HMDB41130	24-Epibrassinolide	CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3
HMDB50694	TG(20:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,36,39,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-
HMDB50695	TG(20:1(11Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,36,39,45,48,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB50696	TG(20:1(11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,42,45,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,45-42-
HMDB50697	TG(20:1(11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,42,45,51,54,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-
HMDB50690	TG(20:1(11Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,42,45,64H,4-15,18,21-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,45-42-
HMDB50691	TG(20:1(11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,42,45,51,54,64H,4-15,18,21-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-
HMDB41139	Sonchifolin	COC(=O)C1=C/CC\C(C)=C\C2OC(=O)C(=C)C2C(C\1)OC(=O)C(\C)=C/C	InChI=1S/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+
HMDB41138	Acutoside C	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC45C)C2CC(C)(C)C(O)C3)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C58H94O26/c1-23-44(81-47-41(71)34(64)26(61)21-75-47)40(70)43(73)48(77-23)82-45-35(65)27(62)22-76-50(45)84-52(74)58-16-15-56(7)24(25(58)17-53(2,3)32(63)18-58)9-10-31-55(6)13-12-33(54(4,5)30(55)11-14-57(31,56)8)80-51-46(39(69)37(67)29(20-60)79-51)83-49-42(72)38(68)36(66)28(19-59)78-49/h9,23,25-51,59-73H,10-22H2,1-8H3
HMDB57625	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32-38,73-75,80H,5-27,29-31,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB59460	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,53-54,56-58,60,66,70,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-52,55,59,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB57623	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-36,71-73,78H,5-26,29-30,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB32052	alpha-Terpineol propanoate	CCC(=O)OC(C)(C)C1CCC(C)=CC1	InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3
HMDB32053	alpha-Terpineol butanoate	CCCC(=O)OC(C)(C)C1CCC(C)=CC1	InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3
HMDB39006	Camellioside C	CC1(C)CCC2=C(C1)C1=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O	InChI=1S/C53H82O23/c1-49(2)13-10-21-22(16-49)23-8-9-29-51(5)14-12-30(50(3,4)28(51)11-15-52(29,6)53(23,7)17-24(21)57)72-48-43(76-46-38(65)35(62)32(59)26(19-55)70-46)40(39(66)41(74-48)44(67)68)73-47-42(36(63)33(60)27(20-56)71-47)75-45-37(64)34(61)31(58)25(18-54)69-45/h8,25-43,45-48,54-56,58-66H,9-20H2,1-7H3,(H,67,68)
HMDB39007	Fistuloside C	CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-36(55)34(53)38(29(16-48)61-40)62-42-37(56)39(32(51)28(15-47)60-42)63-41-35(54)33(52)31(50)27(14-46)59-41/h5,18-19,21-42,46-56H,6-17H2,1-4H3
HMDB32056	Eugenyl benzoate	COC1=CC(CC=C)=CC=C1OC(=O)C1=CC=CC=C1	InChI=1S/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-6,8-12H,1,7H2,2H3
HMDB39001	Purothionin AII	CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC1=O	InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1
HMDB39002	Mytilin A	COC1=C(CC(O)(CO)C\C1=N/C(CO)C(O)=O)NCC(O)=O	InChI=1S/C13H20N2O8/c1-23-11-7(14-4-10(18)19)2-13(22,6-17)3-8(11)15-9(5-16)12(20)21/h9,14,16-17,22H,2-6H2,1H3,(H,18,19)(H,20,21)/b15-8+
HMDB32055	N-Acetylhistidine	CC(=O)NC(CC1=CNC=N1)C(O)=O	InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)
HMDB47470	TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,37,39,42,48,51,63H,4-16,18-19,22-23,25,27-28,31-36,38,40-41,43-47,49-50,52-62H2,1-3H3/b20-17-,24-21-,29-26-,37-30-,42-39-,51-48-
HMDB47471	TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,38,41-42,45,47,50,62H,4-16,19,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB32058	Isoeugenol benzyl ether	COC1=C(OCC2=CC=CC=C2)C=CC(\C=C/C)=C1	InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-
HMDB32059	2-Bromophenol	OC1=CC=CC=C1Br	InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
HMDB39008	3,4-Epoxy-p-menth-1(7)-ene	CC(C)C12CCC(=C)CC1O2	InChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3
HMDB39009	Calendasaponin B	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H76O20/c1-43(2)14-15-48(42(62)68-40-33(57)31(55)29(53)23(19-50)64-40)21(16-43)20-8-9-25-45(5)12-11-27(44(3,4)24(45)10-13-46(25,6)47(20,7)17-26(48)51)65-41-35(59)36(34(58)37(67-41)38(60)61)66-39-32(56)30(54)28(52)22(18-49)63-39/h8,21-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)
HMDB47476	TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-16,19,22-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB03529	Inositol 1,3,4,5,6-pentakisphosphate	O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O	InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+
HMDB45908	TG(20:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,35,40-41,43-44,58H,4-15,17,20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-
HMDB45909	TG(20:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,42,45,60H,4-15,17,20,22-24,26,29-33,35-41,43-44,46-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,45-42-
HMDB45906	TG(20:0/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,31,39,42,57H,4-13,15-16,19-20,22,24-25,28-30,32-38,40-41,43-56H2,1-3H3/b17-14-,21-18-,26-23-,31-27-,42-39-
HMDB45907	TG(20:0/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,35,40,43,58H,4-15,17,20,22-24,26,29-31,34,36-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,35-33-,43-40-
HMDB45904	TG(20:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,31-32,39,42,57H,4-17,19,22,24-26,28,30,33-38,40-41,43-56H2,1-3H3/b21-18-,23-20-,31-27-,32-29-,42-39-
HMDB45905	TG(20:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,36,38-39,41,56H,4-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-,41-38-
HMDB45902	TG(20:0/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,42,45,60H,4-17,19-20,22-24,26,29-33,35-41,43-44,46-59H2,1-3H3/b21-18-,28-25-,34-27-,45-42-
HMDB45903	TG(20:0/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,44,47,62H,4-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,36-27-,47-44-
HMDB45900	TG(20:0/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32,40,43,58H,4-17,19-20,22-24,26,29-31,33-39,41-42,44-57H2,1-3H3/b21-18-,28-25-,32-27-,43-40-
HMDB45901	TG(20:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32-33,35,40-41,43-44,58H,4-17,19-20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b21-18-,28-25-,32-27-,35-33-,43-40-,44-41-
HMDB32588	Purpurenin	CCCCCC(O)CCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-8-16-29(38)18-11-13-20-31(40)33-22-24-35(44-33)36-25-23-34(45-36)32(41)21-14-12-19-30(39)17-10-7-5-6-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
HMDB32589	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone	CC(C)CC(=O)C1=C(O)C=CC(=C1)C(C)=O	InChI=1S/C13H16O3/c1-8(2)6-13(16)11-7-10(9(3)14)4-5-12(11)15/h4-5,7-8,15H,6H2,1-3H3
HMDB32580	4-Hydroxybenzyl isothiocyanate	OC1=CC=C(CN=C=S)C=C1	InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2
HMDB32581	1-(Isothiocyanatomethyl)-4-methoxybenzene	COC1=CC=C(CN=C=S)C=C1	InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3
HMDB32582	2-Biphenylol	OC1=C(C=CC=C1)C1=CC=CC=C1	InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
HMDB32583	4'-Hydroxy-2-biphenylcarboxylic acid	OC(=O)C1=C(C=CC=C1)C1=CC=C(O)C=C1	InChI=1S/C13H10O3/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8,14H,(H,15,16)
HMDB32584	4-Hydroxychalcone	OC1=CC=C(\C=C/C(=O)C2=CC=CC=C2)C=C1	InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8-
HMDB32585	4'-Methoxychalcone	COC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1	InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
HMDB32586	3-(4-Methoxyphenyl)-2-propen-1-ol	COC1=CC=C(\C=C\CO)C=C1	InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+
HMDB32587	Pteroside Z	CC1=CC2=C(C(=O)C(C)(C)C2)C(C)=C1CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H30O7/c1-10-7-12-8-21(3,4)19(26)15(12)11(2)13(10)5-6-27-20-18(25)17(24)16(23)14(9-22)28-20/h7,14,16-18,20,22-25H,5-6,8-9H2,1-4H3
HMDB51588	TG(22:1(13Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32-33,58H,4-7,9-10,12-16,18-19,21-24,29-31,34-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,33-27-
HMDB38757	Isolimocitrol 3-glucoside	COC1=CC=C(C=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2O	InChI=1S/C24H26O14/c1-33-10-5-4-8(6-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3
HMDB38756	Gancaonin I	COC1=CC2=C(C=C(O2)C2=C(O)C=C(O)C=C2)C(OC)=C1CC=C(C)C	InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3
HMDB38755	Licocoumarone	COC1=C(CC=C(C)C)C(O)=CC2=C1C=C(O2)C1=C(O)C=C(O)C=C1	InChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3
HMDB38754	(E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne	C\C=C/C#CC#C\C=C/C=C/C=C	InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4-,7-5+,11-9-
HMDB38753	Distichonic acid B	OC(CC(NCCC(O)C(O)=O)C(O)=O)NCC(O)=O	InChI=1S/C10H18N2O8/c13-6(10(19)20)1-2-11-5(9(17)18)3-7(14)12-4-8(15)16/h5-7,11-14H,1-4H2,(H,15,16)(H,17,18)(H,19,20)
HMDB38752	Distichonic acid A	OC(CNCC(O)=O)C(NCCC(O)C(O)=O)C(O)=O	InChI=1S/C10H18N2O8/c13-5(9(17)18)1-2-12-8(10(19)20)6(14)3-11-4-7(15)16/h5-6,8,11-14H,1-4H2,(H,15,16)(H,17,18)(H,19,20)
HMDB35583	1-Phenyl-1,3-octadecanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3
HMDB38750	N-Hydroxy-L-tyrosine	ONC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C9H11NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,8,10-11,14H,5H2,(H,12,13)
HMDB30560	7,11,12-Triacetoxycoumestan	CC(=O)OC1=CC=C2C3=C(C4=C(O3)C=C(OC(C)=O)C(OC(C)=O)=C4)C(=O)OC2=C1	InChI=1S/C21H14O9/c1-9(22)26-12-4-5-13-15(6-12)30-21(25)19-14-7-17(27-10(2)23)18(28-11(3)24)8-16(14)29-20(13)19/h4-8H,1-3H3
HMDB30561	3-Hydroxy-8,9-dimethoxycoumestan	COC1=CC2=C(C=C1OC)C1=C(O2)C2=CC=C(O)C=C2OC1=O	InChI=1S/C17H12O6/c1-20-13-6-10-12(7-14(13)21-2)22-16-9-4-3-8(18)5-11(9)23-17(19)15(10)16/h3-7,18H,1-2H3
HMDB30562	3,8-Dihydroxy-9-methoxycoumestan	COC1=CC2=C(OC3=C2C(=O)OC2=CC(O)=CC=C32)C=C1O	InChI=1S/C16H10O6/c1-20-13-5-9-12(6-10(13)18)21-15-8-3-2-7(17)4-11(8)22-16(19)14(9)15/h2-6,17-18H,1H3
HMDB30563	3',4,4'-Trihydroxypulvinone	OC1=C(C(=O)O\C1=C/C1=CC(O)=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C17H12O6/c18-11-4-2-10(3-5-11)15-16(21)14(23-17(15)22)8-9-1-6-12(19)13(20)7-9/h1-8,18-21H/b14-8-
HMDB35589	Phlorin	OCC1OC(OC2=CC(O)=CC(O)=C2)C(O)C(O)C1O	InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2
HMDB35588	Luteolin 7-glucoside	OC[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
HMDB38759	Licoricesaponin C2	CC1(C)C(CCC2(C)C1CCC1(C)C2C=CC2=C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	InChI=1S/C42H62O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8-9,21-31,34-35,43-47H,10-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)
HMDB38758	Glypallidifloric acid	CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3CC(C)(CCC3(C)CCC12C)C(O)=O	InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)
HMDB35059	Hovenoside I	CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1	InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)58-20-45)60-40-36(62-38-33(53)30(50)24(48)17-56-38)35(25(49)18-57-40)61-39-34(54)32(52)31(51)26(16-47)59-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3
HMDB35053	Gibberellin A52	CC12C3C(C(O)=O)C45CC(CC(O)C4C3(COC1=O)CC(O)C2O)C(=C)C5	InChI=1S/C20H26O7/c1-8-4-19-5-9(8)3-10(21)13(19)20-6-11(22)15(23)18(2,17(26)27-7-20)14(20)12(19)16(24)25/h9-15,21-23H,1,3-7H2,2H3,(H,24,25)
HMDB35052	Gibberellin A49	CC12C3C(C(O)=O)C45CC(C(O)CC4C3(CC(O)C1O)OC2=O)C(=C)C5	InChI=1S/C19H24O7/c1-7-4-18-5-8(7)9(20)3-11(18)19-6-10(21)14(22)17(2,16(25)26-19)13(19)12(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)
HMDB35051	Gibberellin A59	OC(=O)C1C2C3(CC=CC2(C(O)=O)C(=O)O3)C2CCC3(O)CC12CC3=C	InChI=1S/C19H20O7/c1-9-7-16-8-17(9,25)6-3-10(16)19-5-2-4-18(14(22)23,15(24)26-19)12(19)11(16)13(20)21/h2,4,10-12,25H,1,3,5-8H2,(H,20,21)(H,22,23)
HMDB35050	Gibberellin A21	OC(=O)C1C2C3(CCCC2(C(O)=O)C(=O)O3)C2CCC3(O)CC12CC3=C	InChI=1S/C19H22O7/c1-9-7-16-8-17(9,25)6-3-10(16)19-5-2-4-18(14(22)23,15(24)26-19)12(19)11(16)13(20)21/h10-12,25H,1-8H2,(H,20,21)(H,22,23)
HMDB35057	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 8CI; (R)-form, 4'-Me ether, 3'-O-b-D-glucopyranoside	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(C=C1)C(O)CO	InChI=1S/C15H22O9/c1-22-9-3-2-7(8(18)5-16)4-10(9)23-15-14(21)13(20)12(19)11(6-17)24-15/h2-4,8,11-21H,5-6H2,1H3
HMDB35056	1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol	COC1=C(O)C=C(C=C1)C(O)CO	InChI=1S/C9H12O4/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,10-12H,5H2,1H3
HMDB35055	11-Methyl-7-oxatetracyclo[6.3.1.01,6.04,11]dodecane	CC12CC3CCC11CCC2CC1O3	InChI=1S/C12H18O/c1-11-7-9-3-5-12(11)4-2-8(11)6-10(12)13-9/h8-10H,2-7H2,1H3
HMDB35054	(1S,4R)-p-Mentha-2,8-dien-1-ol	CC(=C)[C@@H]1CC[C@](C)(O)C=C1	InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1
HMDB35398	Cohibin D	CCCCCCCCCCCCCCC\C=C\CCC(O)C(O)CCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3/b24-21+
HMDB30699	5,7-Dihydroxyisoflavone	[H]OC1=C([H])C(O[H])=C2C(=O)C(=C([H])OC2=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	InChI=1S/C15H10O4/c16-10-6-12(17)14-13(7-10)19-8-11(15(14)18)9-4-2-1-3-5-9/h1-8,16-17H
HMDB30696	Demethoxysudachitin	COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C(OC)=C1O	InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)17(23-2)14(16)21/h3-7,18,20-21H,1-2H3
HMDB30697	Sarmentosin	OCC1OC(OC\C=C(/CO)C#N)C(O)C(O)C1O	InChI=1S/C11H17NO7/c12-3-6(4-13)1-2-18-11-10(17)9(16)8(15)7(5-14)19-11/h1,7-11,13-17H,2,4-5H2/b6-1-
HMDB30694	(S)-5,7-Dihydroxy-6,8-dimethylflavanone	CC1=C(O)C(C)=C2OC(CC(=O)C2=C1O)C1=CC=CC=C1	InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3
HMDB30695	7-Hydroxy-5-methoxy-6,8-dimethylflavanone	COC1=C2C(=O)CC(OC2=C(C)C(O)=C1C)C1=CC=CC=C1	InChI=1S/C18H18O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-8,14,20H,9H2,1-3H3
HMDB30692	8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one	COC1=CC=C2C=CC(=O)OC2=C1O	InChI=1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3
HMDB30693	Delphinidin 3,5-diglucoside	[H]OC1=C([H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C(O[H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
HMDB30690	(E)-Suberenol	COC1=C(\C=C\C(C)(C)O)C=C2C=CC(=O)OC2=C1	InChI=1S/C15H16O4/c1-15(2,17)7-6-11-8-10-4-5-14(16)19-13(10)9-12(11)18-3/h4-9,17H,1-3H3/b7-6+
HMDB30691	Dihydrosuberenol	COC1=C(CCC(C)(C)O)C=C2C=CC(=O)OC2=C1	InChI=1S/C15H18O4/c1-15(2,17)7-6-11-8-10-4-5-14(16)19-13(10)9-12(11)18-3/h4-5,8-9,17H,6-7H2,1-3H3
HMDB36593	Validamycin B	OCC1OC(OC2C(O)C(O)C(NC3C=C(CO)C(O)C(O)C3O)C(O)C2CO)C(O)C(O)C1O	InChI=1S/C20H35NO14/c22-2-5-1-7(12(27)15(30)10(5)25)21-9-11(26)6(3-23)19(17(32)14(9)29)35-20-18(33)16(31)13(28)8(4-24)34-20/h1,6-33H,2-4H2
HMDB36592	Validamycin A	CC1C(O)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C20H35NO13/c1-5-10(24)9(21-7-2-6(3-22)11(25)15(29)12(7)26)14(28)17(31)19(5)34-20-18(32)16(30)13(27)8(4-23)33-20/h2,5,7-32H,3-4H2,1H3
HMDB36591	Cycloartenol	CC(CCC=C(C)C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3
HMDB36590	Capsanthin	C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-
HMDB36597	1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC=C(C)C)C(OC)=C(OC)C=C1O2	InChI=1S/C26H30O6/c1-14(2)8-10-16-18(29-5)12-20-23(24(16)27)25(28)22-17(11-9-15(3)4)26(31-7)21(30-6)13-19(22)32-20/h8-9,12-13,27H,10-11H2,1-7H3
HMDB36596	beta-Mangostin	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC=C(C)C)C(OC)=C(O)C=C1O2	InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
HMDB36595	Luteone	CC(C)=CCC1=C(O)C2=C(OC=C(C2=O)C2=CC=C(O)C=C2O)C=C1O	InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
HMDB36594	Botryodiplodin	CC1C(O)OCC1C(C)=O	InChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4,6-7,9H,3H2,1-2H3
HMDB58126	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58127	CL(18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,29,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB36599	Pear ester	CCCCC\C=C/C=C/C(=O)OCC	InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+
HMDB36598	(E,E)-2,4-Decadienal	CCCCC\C=C/C=C/C=O	InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6-,9-8+
HMDB43889	TG(16:0/16:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB43888	TG(16:0/16:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB58120	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,37-38,41-42,77-79,84H,5-24,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,32-28-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB58121	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-38,40-42,77-79,84H,5-24,28,32-35,39,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB09968	PIP(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13-14,16-17,19,22,24,39,42-47,50-53H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09969	PIP(18:1(15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h14,16-17,19,39,42-47,50-53H,3-13,15,18,20-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b16-14-,19-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB41956	nordihydrocodeine	[H]C12OC3=C(OC)C=CC4=C3[C@@]11CCN[C@]([H])(C4)C1([H])CC[C@]2([H])O	InChI=1S/C17H21NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2,5,10-12,16,18-19H,3-4,6-8H2,1H3/t10?,11-,12+,16?,17+/m1/s1
HMDB41951	nitrofen	ClC1=CC(Cl)=C(OC2=CC=C(C=C2)N(=O)=O)C=C1	InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
HMDB41950	nitrobenzene	O=N(=O)C1=CC=CC=C1	InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
HMDB41953	nnal-n-oxide	CN(CCCC(O)C1=CN(=O)=CC=C1)N=O	InChI=1S/C10H15N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8,10,14H,3,5-6H2,1H3
HMDB41952	nitrosamine	ON=N	InChI=1S/H2N2O/c1-2-3/h(H2,1,3)
HMDB09960	PIP(18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h13,15,37,40-45,48-51H,3-12,14,16-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b15-13-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09961	PIP(18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h13-16,37,40-45,48-51H,3-12,17-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b15-13-,16-14-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09962	PIP(18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h13,15,18,20,37,40-45,48-51H,3-12,14,16-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b15-13-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09963	PIP(18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h12-15,18,20,37,40-45,48-51H,3-11,16-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b14-12-,15-13-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09964	PIP(18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86O18P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(50)62-38-40(64-42(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-61-35-39(49)36-63-68(59,60)66-48-45(54)43(52)44(53)47(46(48)55)65-67(56,57)58/h12-15,18,20,24,26,39-40,43-49,52-55H,3-11,16-17,19,21-23,25,27-38H2,1-2H3,(H,59,60)(H2,56,57,58)/b14-12-,15-13-,20-18-,26-24-/t39-,40+,43?,44?,45?,46?,47-,48+/m1/s1
HMDB09965	PIP(18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h14,16-17,19,22,24,28,30,39,42-47,50-53H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09966	PIP(18:1(11Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22,24,39,42-47,50-53H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09967	PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22,24,28,30,39,42-47,50-53H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB28996	Phenylalanyl-Hydroxyproline	OC1CNC(C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C14H18N2O4/c17-10-7-11(15-8-10)13(18)16-12(14(19)20)6-9-4-2-1-3-5-9/h1-5,10-12,15,17H,6-8H2,(H,16,18)(H,19,20)
HMDB58694	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-42-38-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-38,73-75,80H,5-24,27-28,31-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,37-35-,38-36-/t74-,75-/m1/s1
HMDB58695	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-38-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-43-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB58696	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-42-38-36-34-30-26-22-18-14-10-6-2/h25-27,29-31,35-38,73-75,80H,5-24,28,32-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB58697	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-38-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-43-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB28997	Phenylalanyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C15H18N4O3/c16-12(7-11-8-17-9-18-11)14(20)19-13(15(21)22)6-10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)
HMDB58691	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-8,11-12,15-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58692	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,54-56,58-60,66-67,70-71,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB58693	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58698	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-38-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-43-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB58699	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(99-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-41,76-78,83H,5-24,28,32-35,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,39-36-,40-37-,41-38-/t76?,77-,78-/m1/s1
HMDB32870	Jasmolone; O-b-D-Glucopyranoside	CC\C=C\CC1=C(C)C(CC1=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C17H26O7/c1-3-4-5-6-10-9(2)12(7-11(10)19)23-17-16(22)15(21)14(20)13(8-18)24-17/h4-5,12-18,20-22H,3,6-8H2,1-2H3/b5-4+
HMDB32871	Sedanonic acid	CCCCC(=O)C1CCCC=C1C(O)=O	InChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h7,9H,2-6,8H2,1H3,(H,14,15)
HMDB32872	Velcorin	COC(=O)OC(=O)OC	InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
HMDB32873	Diethyl dicarbonate	CCOC(=O)OC(=O)OCC	InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
HMDB32874	Hexyl formate	CCCCCCOC=O	InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3
HMDB32875	3,5,9-Trihydroxyergost-7-en-6-one	CC(C)C(C)CCC(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC12C	InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3
HMDB32876	Rhein	OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=CC=C1C2=O	InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
HMDB32877	Glucorhein	OCC1OC(OC2=C3C(=O)C4=C(C=C(C=C4O)C(O)=O)C(=O)C3=CC=C2)C(O)C(O)C1O	InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30)
HMDB32878	13-Oxocryptopine	COC1=CC2=C(C=C1OC)C(=O)C(=O)C1=C(CN(C)CC2)C2=C(OCO2)C=C1	InChI=1S/C21H21NO6/c1-22-7-6-12-8-17(25-2)18(26-3)9-14(12)20(24)19(23)13-4-5-16-21(15(13)10-22)28-11-27-16/h4-5,8-9H,6-7,10-11H2,1-3H3
HMDB32879	all-trans-Carophyll yellow	CCOC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C32H44O2/c1-9-34-31(33)29(6)20-13-19-26(3)16-11-10-15-25(2)17-12-18-27(4)22-23-30-28(5)21-14-24-32(30,7)8/h10-13,15-20,22-23H,9,14,21,24H2,1-8H3/b11-10+,17-12+,19-13+,23-22+,25-15+,26-16+,27-18-,29-20+
HMDB09038	PE(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,41H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-/t41-/m1/s1
HMDB09039	PE(18:1(11Z)/22:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1
HMDB09032	PE(18:1(11Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,41H,3-13,15,18,20-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-/t41-/m1/s1
HMDB09033	PE(18:1(11Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41H,3-10,12,15,18,20-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-/t41-/m1/s1
HMDB09030	PE(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,39H,3-5,7,9-11,16-17,19,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,15-13-,20-18-,26-24-/t39-/m1/s1
HMDB09031	PE(18:1(11Z)/20:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40,44H2,1-2H3,(H,47,48)/b16-14-/t41-/m1/s1
HMDB09036	PE(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,41H,3-10,12,15,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,24-22-,30-28-/t41-/m1/s1
HMDB09037	PE(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,41H,3-4,6,8-10,12,15,18,20-21,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-,24-22-/t41-/m1/s1
HMDB09034	PE(18:1(11Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,41H,3-13,15,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-,24-22-,30-28-/t41-/m1/s1
HMDB09035	PE(18:1(11Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41H,3-10,12,15,18,20-21,23,25-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,24-22-/t41-/m1/s1
HMDB37349	Isorhoifolin	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3
HMDB37348	Piperitoside	OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(OC(=O)\C=C/C3=CC(O)=C(O)C=C3)C=C2)C(O)C(O)C1O	InChI=1S/C30H26O13/c31-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-3-5-16(6-4-15)40-25(36)8-2-14-1-7-18(32)19(33)9-14/h1-12,24,27-34,37-39H,13H2/b8-2-
HMDB37345	3''-O-Caffeoylcosmosiin	OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1O	InChI=1S/C30H26O13/c31-13-24-27(38)29(43-25(37)8-2-14-1-7-18(33)19(34)9-14)28(39)30(42-24)40-17-10-20(35)26-21(36)12-22(41-23(26)11-17)15-3-5-16(32)6-4-15/h1-12,24,27-35,38-39H,13H2/b8-2+
HMDB37344	Cosmosiin; 3'',4''-Di-Ac	CC(=O)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1OC(C)=O	InChI=1S/C25H24O12/c1-11(27)33-23-20(10-26)37-25(22(32)24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3
HMDB37347	Terniflorin	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+
HMDB37346	6''-Malonylcosmosiin	OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C1O	InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)
HMDB37341	Apigenin 7-O-(2''-O-acetylglucoside)	CC(=O)OC1C(O)C(O)C(CO)OC1OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C=C1	InChI=1S/C23H22O11/c1-10(25)31-22-21(30)20(29)18(9-24)34-23(22)32-13-6-14(27)19-15(28)8-16(33-17(19)7-13)11-2-4-12(26)5-3-11/h2-8,18,20-24,26-27,29-30H,9H2,1H3
HMDB37340	Cosmosiin	OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2
HMDB37343	Cosmosiin; 2'',3''-Di-Ac	CC(=O)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C1OC(C)=O	InChI=1S/C25H24O12/c1-11(27)33-23-22(32)20(10-26)37-25(24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3
HMDB37342	Apigenin 7-O-(6''-O-acetylglucoside)	CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3
HMDB29733	2-Ethyl-5-methylthiophene	CCC1=CC=C(C)S1	InChI=1S/C7H10S/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
HMDB29732	5-Ethyl-4-methylthiazole	CCC1=C(C)N=CS1	InChI=1S/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3
HMDB29731	4-Ethyl-2-methylthiazole	CCC1=CSC(C)=N1	InChI=1S/C6H9NS/c1-3-6-4-8-5(2)7-6/h4H,3H2,1-2H3
HMDB29730	2-Ethyl-4-methylthiazole	CCC1=NC(C)=CS1	InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
HMDB29737	1H-Indole-3-carboxaldehyde	O=CC1=CNC2=C1C=CC=C2	InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
HMDB29736	1H-Imidazole-1-acetic acid	OC(=O)CN1C=CN=C1	InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)
HMDB29735	5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene	CC#CC1=CC=C(S1)C1=CC=C(S1)C#C	InChI=1S/C13H8S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h2,6-9H,1H3
HMDB29734	3-Ethylpyridine	CCC1=CC=CN=C1	InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3
HMDB49029	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,22,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,29-28-,36-33-,45-42-
HMDB29739	1H-Indole-3-acetamide	NC(=O)CC1=CNC2=C1C=CC=C2	InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
HMDB29738	Indole-3-methyl acetate	COC(=O)CC1=CNC2=C1C=CC=C2	InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
HMDB49028	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,38,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,38-35-
HMDB49024	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,40,58H,4-6,9,12-15,18,22-23,29,31,34-35,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-
HMDB49027	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-39,41-42,47,50,60H,4-6,9,12-15,18,22-23,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-
HMDB34007	(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol	C\C=C/C#CC#CC#C\C=C\C(O)CCl	InChI=1S/C13H11ClO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13,15H,12H2,1H3/b3-2-,11-10+
HMDB49026	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-39,41-42,60H,4-6,9,12-15,18,22-23,29-30,35-37,40,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB34006	1-Propylamine	CCCN	InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
HMDB31037	14-Heptacosanol	CCCCCCCCCCCCCC(O)CCCCCCCCCCCCC	InChI=1S/C27H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
HMDB34004	3,4',7-Trihydroxyflavone	OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H
HMDB28990	Phenylalanyl-Asparagine	NC(CC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C13H17N3O4/c14-9(7-11(15)17)12(18)16-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H2,15,17)(H,16,18)(H,19,20)
HMDB34002	3,4,9-Trihydroxypterocarpan	OC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3O)C1O2	InChI=1S/C15H12O5/c16-7-1-2-8-10-6-19-15-9(3-4-11(17)13(15)18)14(10)20-12(8)5-7/h1-5,10,14,16-18H,6H2
HMDB37969	Urodiolenone	CC1CC(=O)C=C2CCC(CC12C)C(C)(O)CO	InChI=1S/C15H24O3/c1-10-6-13(17)7-11-4-5-12(8-14(10,11)2)15(3,18)9-16/h7,10,12,16,18H,4-6,8-9H2,1-3H3
HMDB37968	ent-Epicatechin(4alpha-&gt;8)catechin	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC=C(O)C(O)=C1	InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2
HMDB34001	3-Hydroxy-4,9-dimethoxypterocarpan	COC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3OC)C1O2	InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-16-11(15(12)22-14(10)7-9)5-6-13(18)17(16)20-2/h3-7,12,15,18H,8H2,1-2H3
HMDB37961	4-Eudesmen-11-ol; 7b-form, O-a-L-Rhamnopyranoside	CC1OC(OC(C)(C)C2CCC3(C)CCCC(C)=C3C2)C(O)C(O)C1O	InChI=1S/C21H36O5/c1-12-7-6-9-21(5)10-8-14(11-15(12)21)20(3,4)26-19-18(24)17(23)16(22)13(2)25-19/h13-14,16-19,22-24H,6-11H2,1-5H3
HMDB37960	Rutin, JAN; 2''-O-b-D-Glucopyranosyl	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)48-8-17-21(41)25(45)30(54-32-27(47)24(44)20(40)16(7-34)51-32)33(52-17)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3
HMDB37963	Actinidic acid	CC1C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O	InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)
HMDB28993	Phenylalanyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C14H19N3O4/c15-10(6-7-12(16)18)13(19)17-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)
HMDB37965	3-Galloylprocyanidin B1	[H]OC1=C([H])C(O[H])=C2C(OC([H])(C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])C([H])(OC(=O)C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])C2([H])C2=C3OC([H])(C4=C([H])C([H])=C(O[H])C(O[H])=C4[H])C([H])(O[H])C([H])([H])C3=C(O[H])C([H])=C2O[H])=C1[H]	InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2
HMDB37964	Pisumflavonoside II	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C48H56O29/c49-12-24-30(57)35(62)39(66)45(71-24)69-19-10-22(55)29-23(11-19)70-41(17-4-7-20(53)21(54)9-17)42(34(29)61)75-47-44(38(65)32(59)25(13-50)72-47)77-48-43(37(64)31(58)26(14-51)73-48)76-46-40(67)36(63)33(60)27(74-46)15-68-28(56)8-3-16-1-5-18(52)6-2-16/h1-11,24-27,30-33,35-40,43-55,57-60,62-67H,12-15H2/b8-3+
HMDB37967	3,3'-Digalloylprocyanidin B2	OC1=CC(O)=C2[C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C1)C1=C2O[C@@H]([C@@H](CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1
HMDB37966	3'-Galloylprocyanidin B2	[H]OC1=C([H])C(O[H])=C2C(OC([H])(C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])C([H])(O[H])C2([H])C2=C3OC([H])(C4=C([H])C([H])=C(O[H])C(O[H])=C4[H])C([H])(OC(=O)C4=C([H])C(O[H])=C(O[H])C(O[H])=C4[H])C([H])([H])C3=C(O[H])C([H])=C2O[H])=C1[H]	InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2
HMDB28998	Phenylalanyl-Isoleucine	CCC(C)C(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)
HMDB42370	TG(14:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,25,27,50H,4-18,20-21,23-24,26,28-49H2,1-3H3/b22-19-,27-25-
HMDB42371	TG(14:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,50H,4-23,28-49H2,1-3H3/b26-24-,27-25-
HMDB13499	PGP(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,30,32,41-42,45H,3-10,12,15,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1
HMDB13498	PGP(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,41-42,45H,3-10,12,15,19,22-23,25,27-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,16-14-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
HMDB42374	TG(14:0/18:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h24-26,30,54H,4-23,27-29,31-53H2,1-3H3/b26-24-,30-25-
HMDB42375	TG(14:0/18:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h24-26,32,56H,4-23,27-31,33-55H2,1-3H3/b26-24-,32-25-
HMDB29199	Fertaric acid	[H]OC(=O)C([H])(O[H])C([H])(OC(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C1[H])C(=O)O[H]	InChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21)/b5-3+
HMDB29198	Dimethylurea	CNC(=O)NC	InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
HMDB13493	PGP(16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H72O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,22,24,37-38,41H,3-10,12,15,19-21,23,25-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,16-14-,18-17-,24-22-/t37-,38+/m0/s1
HMDB29196	D-Fucose	[H]O[C@H]1O[C@H](C)[C@H](O[H])[C@H](O[H])[C@H]1O[H]	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1
HMDB29195	Cyanidin-3-galactoside	[Cl-].OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O]=C2C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H21O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-29H,7H2;1H/p-1
HMDB29194	Cyanidin-3-arabinoside	[Cl-].OC1COC(OC2=CC3=C(O)C=C(O)C=C3[O]=C2C2=CC(O)=C(O)C=C2)C(O)C1O	InChI=1S/C20H19O10.ClH/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8;/h1-6,14,17-18,20-27H,7H2;1H/p-1
HMDB29193	cis-cyclo[L-ala-L-Pro]	CC1NC(=O)C2CCCN2C1=O	InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)
HMDB13496	PGP(16:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,39-40,43H,3-10,12,15,19,21,23-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,16-14-,18-17-,22-20-/t39-,40+/m0/s1
HMDB29191	5'-(3',4'-dihydroxyphenyl)-gamma-valerolactone sulfate	OC1=CC=C(CC2CCC(=O)O2)C=C1OS(O)(=O)=O	InChI=1S/C11H12O7S/c12-9-3-1-7(5-8-2-4-11(13)17-8)6-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)
HMDB29190	5'-(3',4'-dihydroxyphenyl)-gamma-valerolactone glucuronide	OC1C(O)C(O)C(C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1O)C(O)=O	InChI=1S/C18H22O10/c19-9-3-1-7(5-8-2-4-11(20)27-8)6-10(9)28-17-12(18(25)26)13(21)14(22)15(23)16(17)24/h1,3,6,8,12-17,19,21-24H,2,4-5H2,(H,25,26)
HMDB46460	TG(22:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-
HMDB46461	TG(22:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h21,24,26,31,56H,4-20,22-23,25,27-30,32-55H2,1-3H3/b24-21-,31-26-
HMDB46462	TG(22:0/16:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,58H,4-20,22-23,25,27,29-57H2,1-3H3/b24-21-,28-26-
HMDB46463	TG(22:0/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,33,36,41,44,58H,4-20,22-23,25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b24-21-,28-26-,36-33-,44-41-
HMDB46464	TG(22:0/16:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-
HMDB44415	TG(16:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,41-38-,50-47-
HMDB46466	TG(22:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,32,57H,4-19,22,25-27,29-31,33-56H2,1-3H3/b23-20-,24-21-,32-28-
HMDB46467	TG(22:0/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,31,36,39,56H,4-16,18-19,22-23,25,27-30,32-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,31-26-,39-36-
HMDB46468	TG(22:0/16:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,57H,4-13,15-16,18-20,22,25,27-56H2,1-3H3/b17-14-,24-21-,26-23-
HMDB46469	TG(22:0/16:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,58H,4-16,18-19,22-23,25,27,29-32,34-35,37-57H2,1-3H3/b20-17-,24-21-,28-26-,36-33-
HMDB44414	TG(16:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,41,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,41-38-
HMDB54448	TG(22:2(13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32,34,36,39,42,62H,4-6,8-9,11-15,18,21-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,42-39-
HMDB12345	PS(14:1(9Z)/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,34-35H,3-9,11,13-33,39H2,1-2H3,(H,42,43)(H,44,45)/b12-10-/t34-,35+/m1/s1
HMDB47106	TG(24:0/20:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-
HMDB12349	PS(14:1(9Z)/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,36-37H,3-9,14-15,18,21-35,41H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,13-11-,17-16-,20-19-/t36-,37+/m1/s1
HMDB29283	Avenanthramide 1f	[H]OC(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C(=O)C(\[H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7+
HMDB36101	(R)-3,7-Dimethyl-1,6-octadien-3-ol	CC(C)=CCC[C@@](C)(O)C=C	InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1
HMDB29281	b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside	[H]OC([H])([H])[C@]1([H])O[C@@](O[C@@]2([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C([H])=C([H])C([H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	InChI=1S/C21H28O12/c22-8-12-16(26)19(29)21(10-23,32-12)33-20-18(28)17(27)15(25)13(31-20)9-30-14(24)7-6-11-4-2-1-3-5-11/h1-7,12-13,15-20,22-23,25-29H,8-10H2/b7-6+/t12-,13+,15+,16-,17-,18+,19+,20+,21+/m0/s1
HMDB36103	Geranic acid	CC(C)=CCCC(C)=CC(O)=O	InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
HMDB29287	3-Caffeoyl-1,5-quinolactone	[H]OC1=C(O[H])C([H])=C(\C([H])=C(/[H])C(=O)O[C@]2([H])C([H])([H])[C@@]3(O[H])C(=O)O[C@]([H])(C3([H])[H])[C@]2([H])O[H])C([H])=C1[H]	InChI=1S/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(19)23-11-6-16(22)7-12(14(11)20)24-15(16)21/h1-5,11-12,14,17-18,20,22H,6-7H2/b4-2+/t11-,12-,14-,16+/m1/s1
HMDB29286	Avenanthramide 2s	[H]OC(=O)C1=C([H])C(O[H])=C([H])C([H])=C1N([H])C(=O)C(\[H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C1[H]	InChI=1S/C18H17NO7/c1-25-14-7-10(8-15(26-2)17(14)22)3-6-16(21)19-13-5-4-11(20)9-12(13)18(23)24/h3-9,20,22H,1-2H3,(H,19,21)(H,23,24)/b6-3+
HMDB36106	Thiogeraniol	CC(C)=CCC\C(C)=C/CS	InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
HMDB36107	Myrcenol	CC(C)(O)CCCC(=C)C=C	InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3
HMDB32459	2-Pentenoic acid	CCC=CC(O)=O	InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
HMDB58736	CL(18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB58735	CL(18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB58734	CL(18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB13923	2-Oxoticlopidine	ClC1=CC=CC=C1CN1CCC2SC(=O)C=C2C1	InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13/h1-4,7,13H,5-6,8-9H2
HMDB47107	TG(24:0/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26,29,38,41,47,50,64H,4-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b29-26-,41-38-,50-47-
HMDB13922	2-Chloroticlopidine	ClC1=CC2=C(CCN(CC3=CC=CC=C3Cl)C2)S1	InChI=1S/C14H13Cl2NS/c15-12-4-2-1-3-10(12)8-17-6-5-13-11(9-17)7-14(16)18-13/h1-4,7H,5-6,8-9H2
HMDB55785	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-44,46-47,60H,4-6,13-15,22-24,31-33,40-42,45,48-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB04710	9,10,13-TriHOME	CCCCC[C@H](O)\C=C\[C@@H](O)[C@@H](O)CCCCCCCC(O)=O	InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m0/s1
HMDB58731	CL(18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB55784	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,38,40-41,43,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB00404	2b,3a,7a-Trihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)[C@@H](O)C[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)15-5-6-16-22-17(8-9-23(15,16)2)24(3)12-20(27)18(25)10-14(24)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18+,19-,20+,22+,23-,24+/m1/s1
HMDB14927	Gadopentetate dimeglumine	[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O	InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
HMDB14924	Marimastat	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C	InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
HMDB14925	Aciclovir	NC1=NC(=O)C2=C(N1)N(COCCO)C=N2	InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
HMDB14922	Mefenamic acid	CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1	InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
HMDB00401	2,8-Dihydroxyadenine	NC1=NC(O)=NC2=C1NC(O)=N2	InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12)
HMDB14920	Propantheline	CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C	InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1
HMDB00403	2-Hydroxyadenine	NC1=NC(O)=NC2=C1NC=N2	InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
HMDB00408	2-Methyl-3-ketovaleric acid	CCC(=O)C(C)C(O)=O	InChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h4H,3H2,1-2H3,(H,8,9)
HMDB00409	(5R)-5-Hydroxyhexanoic acid	C[C@@H](O)CCCC(O)=O	InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
HMDB14928	Perindopril	[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O	InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1
HMDB14929	Uracil mustard	ClCCN(CCCl)C1=CNC(=O)NC1=O	InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)
HMDB59064	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-40-36-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,44-49,51,56-57,59-61,63,82-84,89H,5-20,24,29-31,36,41-43,50,52-55,58,62,64-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-40-,48-45-,49-46-,51-47-,60-56-,61-57-,63-59-/t82?,83-,84-/m1/s1
HMDB13929	2-Oxoclopidogrel	COC(=O)[C@@H](N1CCC2SC(=O)C=C2C1)C1=CC=CC=C1Cl	InChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3/t13?,15-/m0/s1
HMDB58738	CL(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB59065	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,42,45-48,50-51,53,57-59,62-63,65,69,84-86,91H,5-20,24,29-31,36,41,43-44,49,52,54-56,60-61,64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,51-48-,57-53-,62-58-,63-59-,69-65-/t84?,85-,86-/m1/s1
HMDB55789	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,60H,4-6,13-15,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB55788	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42,45,59H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB11253	PC(P-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,38,41,45H,6-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,33-31-,41-38-/t45-/m1/s1
HMDB11252	PC(P-18:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,38,41,45H,6-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,41-38-/t45-/m1/s1
HMDB11251	PC(P-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,38,41,45H,6-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,27-25-,33-31-,41-38-/t45-/m1/s1
HMDB11250	PC(P-18:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,38,41,45H,6-13,15,17-19,21,23-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,41-38-
HMDB11257	PC(P-18:0/22:1(13Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20,22,40,43,47H,6-19,21,23-39,41-42,44-46H2,1-5H3/b22-20-,43-40-/t47-/m1/s1
HMDB11256	PC(P-18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h40,43,47H,6-39,41-42,44-46H2,1-5H3/b43-40-
HMDB11255	PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,41-38-/t45-/m1/s1
HMDB11254	PC(P-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,41-38-
HMDB11259	PC(P-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,43-40-/t47-/m1/s1
HMDB11258	PC(P-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,40,43,47H,6-13,15,17-19,21,23-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,43-40-/t47-/m1/s1
HMDB59066	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-48,50-51,53,57-59,62-63,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,49,52,54-56,60-61,64-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,51-48-,57-53-,62-58-,63-59-/t84?,85-,86-/m1/s1
HMDB47010	TG(24:0/14:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB05047	9E,11E-Octadecadienoic acid	CCCCCC\C=C\C=C\CCCCCCCC(O)=O	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9+
HMDB48856	TG(16:1(9Z)/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,58H,4-15,17-18,20,22-23,29-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-
HMDB05045	15(S)-Hydroxyeicosatrienoic acid	CCCCC[C@H](O)\C=C\C=C/C\C=C/CCCCCCC(O)=O	InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+/t19-/m0/s1
HMDB48854	TG(16:1(9Z)/22:2(13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,56H,4-15,17-18,22,26,28-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-
HMDB48853	TG(16:1(9Z)/22:2(13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-21,23-26,54H,4-15,17-18,22,27-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-
HMDB05042	Aripiprazole	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl	InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
HMDB05041	Donepezil	COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1	InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
HMDB48850	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,34,36-37,39,43,46,58H,4-6,8-9,11-15,18,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB05049	10-Nitrolinoleic acid	CCCCC\C=C/C\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O	InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
HMDB05048	10E,12Z-Octadecadienoic acid	CCCCCC\C=C/C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7-,10-9+
HMDB59068	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-49-47-43-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,42,44-47,49-50,54,57,61-62,66,83-85,90H,5-20,23-24,29-30,35-36,41,43,48,51-53,55-56,58-60,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,49-47-,54-50-,61-57-,66-62-/t83?,84-,85-/m1/s1
HMDB59069	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,42,45-47,49-51,53,55,58,61-63,65,67,84-86,91H,5-20,24,29-31,36,41,43-44,48,52,54,56-57,59-60,64,66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,53-49-,55-51-,62-58-,65-61-,67-63-/t84?,85-,86-/m1/s1
HMDB56788	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-36,39-42,47-48,51-52,60,64,79-81,86H,5-8,10-12,14-20,23-24,28-30,32,37-38,43-46,49-50,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56789	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB10122	PIP2(20:3(5Z,8Z,11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-18,20,22,25,27,37,40-45,48-50H,3-16,19,21,23-24,26,28-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-,22-20-,27-25-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10123	PIP2(20:3(5Z,8Z,11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17,19,22-23,27,29,39,42-47,50-52H,3-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10120	PIP2(20:2(11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,39,42-47,50-52H,3-10,12,14-16,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10121	PIP2(20:2(11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11-14,17-19,21,39,42-47,50-52H,3-10,15-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10126	PIP2(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,17-19,21-23,27,29,39,42-47,50-52H,3-11,13,15-16,20,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10127	PIP2(20:3(8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,20,22,37,40-45,48-50H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-,22-20-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10124	PIP2(20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h14,16-17,19,22-23,27,29,39,42-47,50-52H,3-13,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10125	PIP2(20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-19,21-23,27,29,39,42-47,50-52H,3-16,20,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10128	PIP2(20:3(8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22-23,39,42-47,50-52H,3-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10129	PIP2(20:3(8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13-14,16-17,19,22-23,39,42-47,50-52H,3-10,12,15,18,20-21,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14-,19-17-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB50908	TG(20:3(5Z,8Z,11Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30-31,34,39,42,55H,4-19,21-22,24,26,29,32-33,35-38,40-41,43-54H2,1-3H3/b23-20-,27-25-,30-28-,34-31-,42-39-
HMDB50909	TG(20:3(5Z,8Z,11Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,33-34,37-38,41,54H,4-16,18-19,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b20-17-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB58032	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB06028	N-Acetylasparagine	CC(=O)N[C@@H](CC(N)=O)C(O)=O	InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1
HMDB06029	N-Acetylglutamine	CC(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)
HMDB06024	Mevalonolactone	C[C@]1(O)CCOC(=O)C1	InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1
HMDB49815	TG(18:1(9Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,32-33,38,41,58H,4-7,9-10,12-16,18-19,21-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,32-26-,33-27-,41-38-
HMDB06026	Norbolethone	[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C21H32O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20-,21-/m0/s1
HMDB06027	Oxymesterone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C	InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
HMDB49810	TG(18:1(9Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34-35,38,44,47,60H,4-16,18-19,21-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,29-26-,34-27-,38-35-,47-44-
HMDB49811	TG(18:1(9Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,36,62H,4-15,17-18,20-24,26,29-35,37-61H2,1-3H3/b19-16-,28-25-,36-27-
HMDB49812	TG(18:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,40,43,62H,4-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,43-40-
HMDB06023	3'-O-Methyladenosine	CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2N	InChI=1S/C11H15N5O4/c1-19-8-5(2-17)20-11(7(8)18)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
HMDB52410	TG(18:2(9Z,12Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(55)58-51-52(59-54(56)48-45-42-39-36-32-21-18-15-12-9-6-3)50-57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h19,22,26,28,52H,4-18,20-21,23-25,27,29-51H2,1-3H3/b22-19-,28-26-
HMDB52411	TG(18:2(9Z,12Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,27-30,53H,4-18,21,24-26,31-52H2,1-3H3/b22-19-,23-20-,29-27-,30-28-
HMDB04873	Lactosylceramide (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h17-18,37,39,44-47,49-56,58-60,62-66H,3-16,19-36,38,40-43H2,1-2H3,(H,57,61)/b18-17-,39-37+/t44-,45+,46+,47+,49-,50-,51+,52+,53?,54+,55+,56-/m0/s1
HMDB04872	Lactosylceramide (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H101NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h17-18,35,37,42-45,47-54,56-58,60-64H,3-16,19-34,36,38-41H2,1-2H3,(H,55,59)/b18-17-,37-35+/t42-,43+,44+,45+,47-,48-,49+,50+,51?,52+,53+,54-/m0/s1
HMDB52414	TG(18:2(9Z,12Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,54H,4-15,17-18,21-22,24,26,29,32,34-53H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,33-31-
HMDB04874	Lactosylceramide (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C56H107NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h37,39,44-47,49-56,58-60,62-66H,3-36,38,40-43H2,1-2H3,(H,57,61)/b39-37+/t44-,45+,46+,47+,49-,50-,51+,52+,53?,54+,55+,56-/m0/s1
HMDB04877	Trihexosylceramide (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C48H89NO18/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-32(53)31(49-36(54)26-24-22-20-17-12-10-8-6-4-2)30-62-46-42(60)39(57)44(34(28-51)64-46)67-48-43(61)40(58)45(35(29-52)65-48)66-47-41(59)38(56)37(55)33(27-50)63-47/h23,25,31-35,37-48,50-53,55-61H,3-22,24,26-30H2,1-2H3,(H,49,54)/b25-23+/t31-,32+,33+,34+,35+,37-,38-,39+,40+,41+,42+,43+,44+,45-,46+,47+,48-/m0/s1
HMDB04876	Lactosylceramide (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C55H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-47(60)56-43(44(59)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)42-66-54-52(65)50(63)53(46(41-58)68-54)69-55-51(64)49(62)48(61)45(40-57)67-55/h36,38,43-46,48-55,57-59,61-65H,3-35,37,39-42H2,1-2H3,(H,56,60)/b38-36+/t43-,44+,45+,46+,48-,49-,50+,51+,52?,53+,54+,55-/m0/s1
HMDB04879	Trihexosylceramide (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(57)35(53-40(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-66-50-46(64)43(61)48(38(32-55)68-50)71-52-47(65)44(62)49(39(33-56)69-52)70-51-45(63)42(60)41(59)37(31-54)67-51/h27,29,35-39,41-52,54-57,59-65H,3-26,28,30-34H2,1-2H3,(H,53,58)/b29-27+
HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C54H99NO18/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(60)55-37(38(59)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-68-52-48(66)45(63)50(40(34-57)70-52)73-54-49(67)46(64)51(41(35-58)71-54)72-53-47(65)44(62)43(61)39(33-56)69-53/h17-18,29,31,37-41,43-54,56-59,61-67H,3-16,19-28,30,32-36H2,1-2H3,(H,55,60)/b18-17+,31-29+
HMDB07993	PC(16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,46H,6-19,22-45H2,1-5H3/b21-20-/t46-/m1/s1
HMDB07992	PC(16:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1
HMDB07991	PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
HMDB07990	PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-/t44-/m1/s1
HMDB07997	PC(16:0/P-18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,34,37,41H,6-19,22-33,35-36,38-40H2,1-5H3/b21-20-,37-34-
HMDB07996	PC(16:0/P-18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34-
HMDB07995	PC(16:0/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-
HMDB07994	PC(16:0/P-16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-
HMDB07999	PC(16:1(9Z)/14:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C38H72NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h13,15-16,18,36H,6-12,14,17,19-35H2,1-5H3/b15-13-,18-16-/t36-/m1/s1
HMDB07998	PC(16:1(9Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h16,18,36H,6-15,17,19-35H2,1-5H3/b18-16-/t36-/m1/s1
HMDB44361	TG(16:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19,25-26,28,31,37,40,52H,4-15,17-18,20-24,27,29-30,32-36,38-39,41-51H2,1-3H3/b19-16-,26-25-,31-28-,40-37-
HMDB50099	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,18,21-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB51293	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB44360	TG(16:0/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,55H,4-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b19-16-,27-25-,33-30-
HMDB51291	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34-35,37,43,46,60H,4-8,10-11,13-15,17,20,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB51290	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-36,41-42,44-45,58H,4-8,10-11,13-15,17,20,22-24,30-31,37-40,43,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB51297	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-36,41-42,44-45,58H,4-6,8,11,13-15,17,20,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB51296	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-36,42,45,58H,4-6,8,11,13-15,17,20,22-24,30-31,37-41,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-
HMDB51295	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-32,34,36,39-40,43,56H,4-7,10,13-16,19,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB51294	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-32,34,40,43,56H,4-7,10,13-16,19,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-
HMDB51299	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB51298	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,37-38,41,43,46,60H,4-6,8,11,13-15,17,20,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB50093	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-15,18,21-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB44363	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,35,41,44,56H,4-16,18-19,21-25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,28-26-,35-32-,44-41-
HMDB07379	DG(20:0/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,43,46H,3-10,12,14-16,18,20-21,23,25-27,29,31-42H2,1-2H3/b13-11-,19-17-,24-22-,30-28-/t43-/m0/s1
HMDB07378	DG(20:0/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43,46H,3-10,12,14-16,18,20-42H2,1-2H3/b13-11-,19-17-/t43-/m0/s1
HMDB07377	DG(20:0/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-/t43-/m0/s1
HMDB07376	DG(20:0/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1
HMDB07375	DG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,41,44H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-40H2,1-2H3/b8-6-,14-12-,20-18-,26-24-,32-30-/t41-/m0/s1
HMDB07374	DG(20:0/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,41,44H,3-5,7,9-11,13,15-17,19,21-23,25,27-40H2,1-2H3/b8-6-,14-12-,20-18-,26-24-/t41-/m0/s1
HMDB07373	DG(20:0/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,41,44H,3-11,13,15-17,19,21-23,25,27-29,31,33-40H2,1-2H3/b14-12-,20-18-,26-24-,32-30-/t41-/m0/s1
HMDB07372	DG(20:0/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,41,44H,3-11,13,15-17,19,21-23,25,27-40H2,1-2H3/b14-12-,20-18-,26-24-/t41-/m0/s1
HMDB07371	DG(20:0/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,24,26,30,32,41,44H,3-17,19,21-23,25,27-29,31,33-40H2,1-2H3/b20-18-,26-24-,32-30-/t41-/m0/s1
HMDB07370	DG(20:0/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,41,44H,3-11,13,15-17,19,21-40H2,1-2H3/b14-12-,20-18-/t41-/m0/s1
HMDB44362	TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,33,39,42,54H,4-15,17-18,20-24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,27-25-,33-30-,42-39-
HMDB49764	TG(18:1(9Z)/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h25-26,28,32,58H,4-24,27,29-31,33-57H2,1-3H3/b28-25-,32-26-
HMDB54787	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-33,36,38-41,43,58H,4-7,9-10,12-15,22-24,29,34-35,37,42,44-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-
HMDB58770	CL(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,42-43,45,53,57,78-80,85H,5-20,22-24,29,34-36,39-41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB44365	TG(16:0/20:4(5Z,8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,36,39,45,48,60H,4-16,18-19,21-25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,28-26-,39-36-,48-45-
HMDB02829	Androsterone glucuronide	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
HMDB12508	10-HETE	CCCCC\C=C/C\C=C/C(O)\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b7-6-,9-8-,16-13-,17-14-
HMDB12502	10,11-dihydro-20-dihydroxy-LTB4	OC(O)CCCC\C=C/C[C@H](O)CC\C=C\C=C/[C@H](O)CCCC(O)=O	InChI=1S/C20H34O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-19,21-24H,1,3,7,9-12,14-16H2,(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1
HMDB12503	10,11-dihydro-20-trihydroxy-leukotriene B4	O[C@H](CC\C=C\C=C/[C@H](O)CCCC(O)=O)C\C=C/CCCCC(O)(O)O	InChI=1S/C20H34O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6,8,13,17-18,21-22,25-27H,1,5,7,9-12,14-16H2,(H,23,24)/b4-3+,6-2-,13-8-/t17-,18-/m0/s1
HMDB12501	10,11-Dihydro-12R-hydroxy-leukotriene E4	CCCCC\C=C/C[C@H](O)C\C=C\C=C\[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O	InChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6-,9-7+,15-10+/t18-,19+,20-,21+/m0/s1
HMDB02825	Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C	InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
HMDB12504	10,11-dihydro-leukotriene B4	CCCCC\C=C/C[C@H](O)CC\C=C\C=C/[C@H](O)CCCC(O)=O	InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19-/m0/s1
HMDB53428	TG(20:2n6/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34-35,37-38,44,47,59H,4-6,8-9,11-14,17,20-23,30-33,36,39-43,45-46,48-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB53429	TG(20:2n6/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34-35,37-38,43-44,46-47,59H,4-6,8-9,11-14,17,20-23,30-33,36,39-42,45,48-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB05832	6b-Hydroxymethandienone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C	InChI=1S/C20H28O3/c1-18-7-4-12(21)10-16(18)17(22)11-13-14(18)5-8-19(2)15(13)6-9-20(19,3)23/h4,7,10,13-15,17,22-23H,5-6,8-9,11H2,1-3H3/t13-,14+,15+,17-,18-,19+,20+/m1/s1
HMDB56419	CL(16:0/16:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,28-29,32,69-71,76H,5-24,26-27,30-31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,32-28-/t69?,70-,71-/m1/s1
HMDB05830	5a-Androstan-3b-ol	[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
HMDB05831	Sorbitol-6-phosphate	OCC(O)C(O)C(O)C(O)COP(O)(O)=O	InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)
HMDB53422	TG(20:2n6/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,34-35,37-38,43-44,46-47,59H,4-14,17,20-23,30-33,36,39-42,45,48-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB44364	TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,37,43,46,58H,4-16,18-19,21-25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,28-26-,37-34-,46-43-
HMDB53420	TG(20:2n6/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,23-28,34,37,43,46,58H,4-13,16,19-22,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b17-14-,18-15-,26-23-,27-24-,28-25-,37-34-,46-43-
HMDB53421	TG(20:2n6/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,34-35,37-38,44,47,59H,4-14,17,20-23,30-33,36,39-43,45-46,48-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB53426	TG(20:2n6/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,33,36,42,45,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32,34-35,37-41,43-44,46-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,36-33-,45-42-
HMDB53427	TG(20:2n6/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,33,36-37,40,42,45,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32,34-35,38-39,41,43-44,46-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-,45-42-
HMDB53424	TG(20:2n6/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,37,39-40,42,46,49,61H,4-14,17,20-23,30-31,33,35-36,38,41,43-45,47-48,50-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-
HMDB53425	TG(20:2n6/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,37,39-40,42,46,48-49,51,61H,4-14,17,20-23,30-31,33,35-36,38,41,43-45,47,50,52-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-,51-48-
HMDB55149	TG(18:3(9Z,12Z,15Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,31,33,50H,4-6,9,12-15,18,21-23,28-30,32,34-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,33-31-
HMDB55147	TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB55146	TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,50,53,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-49,51-52,54-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,53-50-
HMDB55145	TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB55144	TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-
HMDB55143	TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB55142	TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB55141	TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB55140	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-7,9-10,12-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB44367	TG(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,28,31,37,40,52H,4-15,17-18,21-22,24,27,29-30,32-36,38-39,41-51H2,1-3H3/b19-16-,23-20-,26-25-,31-28-,40-37-
HMDB54812	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB54813	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-39,41,45,48,60H,4-8,10-11,13-15,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB54810	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,36,38-39,41,61H,4-15,18,21-24,27,30-31,33,35,37,40,42-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-
HMDB54811	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-37,40-45,49,52,64H,4-15,22-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB54816	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB54817	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,49,52,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB54814	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-8,10-11,13-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB54815	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB54818	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB54819	TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,48,61H,4-15,18,21-24,27,30-31,33,35,37,40,42-44,46-47,49-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-
HMDB44366	TG(16:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,35,38,50H,4-14,17,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-,38-35-
HMDB06569	6'-Sialyllactose	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1
HMDB06568	Lewis X trisaccharide	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](NC(C)=O)C=O	InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)35-17(8(3-22)21-7(2)25)18(9(26)4-23)36-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
HMDB06560	Tachysterol 3	CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])C(=CCC[C@]12C)\C=C\C1=C(C)CC[C@H](O)C1	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12+/t21-,24+,25-,26+,27-/m1/s1
HMDB06563	Hexaglutamyl folate	N[C@@H](CCC(=O)OC(=O)[C@](N(C(=O)CC[C@H](N)C(O)=O)C(=O)C1=CC=C(NCC2=CN=C3NC(N)=NC(=O)C3=N2)C=C1)(C(=O)CC[C@H](N)C(O)=O)C(CC(O)=O)(C(=O)CC[C@H](N)C(O)=O)C(=O)CC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C44H54N12O21/c45-21(36(66)67)5-10-26(57)43(15-30(61)62,27(58)11-6-22(46)37(68)69)44(28(59)12-7-23(47)38(70)71,41(76)77-31(63)14-9-25(49)40(74)75)56(29(60)13-8-24(48)39(72)73)35(65)18-1-3-19(4-2-18)51-16-20-17-52-33-32(53-20)34(64)55-42(50)54-33/h1-4,17,21-25,51H,5-16,45-49H2,(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H3,50,52,54,55,64)/t21-,22-,23-,24-,25-,44+/m0/s1
HMDB06562	8-iso-13,14-dihydro-15-keto-PGF2a	CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1
HMDB06565	Sialyl-Lewis X	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
HMDB06567	Neolactotetraose	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O	InChI=1S/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1
HMDB06566	Lacto-N-tetraose	CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1
HMDB01021	Malyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)C(O)=O	InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13+,17+,18+,19?,23+/m0/s1
HMDB01020	N,N-Dimethylaniline	CN(C)C1=CC=CC=C1	InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
HMDB01023	4,4-Dimethylcholesta-8,14,24-trienol	[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C	InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1
HMDB01022	Succinyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O	InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20?,24-/m1/s1
HMDB01024	Phosphohydroxypyruvic acid	OC(=O)C(=O)COP(O)(O)=O	InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
HMDB04058	5,6-Dihydroxyindole	OC1=C(O)C=C2C=CNC2=C1	InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
HMDB01028	25-Azacholesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCN(C)C	InChI=1S/C26H45NO/c1-18(7-6-16-27(4)5)22-10-11-23-21-9-8-19-17-20(28)12-14-25(19,2)24(21)13-15-26(22,23)3/h8,18,20-24,28H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
HMDB04051	Aerobactin	CC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(C)=O)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/t15-,16-/m0/s1
HMDB40141	2-Methoxy-5-methylpyrazine	COC1=NC=C(C)N=C1	InChI=1S/C6H8N2O/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3
HMDB40140	8,8'-Methylenebiscatechin	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])[C@@]1([H])OC2=C(C(O[H])=C([H])C(O[H])=C2C([H])([H])C2=C(O[H])C([H])=C(O[H])C3=C2O[C@]([H])(C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])[C@@]([H])(O[H])C3([H])[H])C([H])([H])[C@]1([H])O[H]	InChI=1S/C31H28O12/c32-18-3-1-12(5-24(18)38)28-26(40)8-16-22(36)10-20(34)14(30(16)42-28)7-15-21(35)11-23(37)17-9-27(41)29(43-31(15)17)13-2-4-19(33)25(39)6-13/h1-6,10-11,26-29,32-41H,7-9H2/t26-,27-,28+,29+/m0/s1
HMDB40143	2-Methoxy-6-methylpyrazine	COC1=NC(C)=CN=C1	InChI=1S/C6H8N2O/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3
HMDB40142	2-Ethoxy-5-methylpyrazine	CCOC1=NC=C(C)N=C1	InChI=1S/C7H10N2O/c1-3-10-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
HMDB40145	5-Hydroxy-4-pentenoic acid d-lactone	OC1=CCC=CO1.O=C1CCC=CO1	InChI=1S/2C5H6O2/c2*6-5-3-1-2-4-7-5/h2,4H,1,3H2;2-4,6H,1H2
HMDB40144	2-Ethoxy-6-methylpyrazine	CCOC1=NC(C)=CN=C1	InChI=1S/C7H10N2O/c1-3-10-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3
HMDB40147	2-Bromo-1H-indole-3-carboxaldehyde	BrC1=C(C=O)C2=C(N1)C=CC=C2	InChI=1S/C9H6BrNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H
HMDB40146	2,5-Octadien-1-ol	CC\C=C\C\C=C/CO	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,6-7,9H,2,5,8H2,1H3/b4-3+,7-6-
HMDB40149	(3E,5Z)-3,5-Octadien-1-ol	CC\C=C\C=C\CCO	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5+
HMDB40148	Trimethyloxazole	CC1=NC(C)=C(C)O1	InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
HMDB45319	TG(18:0/18:4(6Z,9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,35,42,45,60H,4-8,10-11,13-17,19-20,22-26,28-34,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,35-27-,45-42-
HMDB45318	TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,33,40,43,58H,4-8,10-11,13-17,19-20,22-26,28-32,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,33-27-,43-40-
HMDB57439	CL(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,28-30,32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57438	CL(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,27,29,31,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,32-28-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1
HMDB48332	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,30,32,38,41,53H,4-6,8-9,11-13,20-22,27-29,31,33-37,39-40,42-52H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,32-30-,41-38-
HMDB48333	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,39,42,54H,4-7,9-10,12-14,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB48330	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-30,32,38,41,53H,4-6,8-9,11-14,17,21-22,25,28,31,33-37,39-40,42-52H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-27-,32-30-,41-38-
HMDB03882	N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole	CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1
HMDB48336	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31,33-35,37,41,44,56H,4-7,9-10,12-14,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB48337	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-7,9-10,12-14,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB48334	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,38-39,41-42,54H,4-7,9-10,12-14,21-23,28-29,34-37,40,43-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB48335	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,33,35,41,44,56H,4-7,9-10,12-14,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,35-33-,44-41-
HMDB48338	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,37,40,52H,4-6,9,12-14,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-
HMDB48339	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H86O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,33,36-37,40,52H,4-6,9,12-14,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB58778	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB30883	Leptophylloside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2	InChI=1S/C20H24O10/c1-20(2,30-19-15(25)14(24)13(23)10(7-21)27-19)11-6-9-5-8-3-4-12(22)29-17(8)16(26)18(9)28-11/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3
HMDB30882	(S)-Rutaretin	CC(C)(O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2	InChI=1S/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3
HMDB30881	1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne	CC#CC#CC#C\C=C\C=C\CCCOC(C)=O	InChI=1S/C16H16O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h9-12H,13-15H2,1-2H3/b10-9+,12-11+
HMDB30880	Methyl 1-propene-1-sulfenoselenoate	C[Se]S\C=C\C	InChI=1S/C4H8SSe/c1-3-4-5-6-2/h3-4H,1-2H3/b4-3+
HMDB30887	Majoroside F3	CC(C)C(O)\C=C\C(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,16,20-37,43-52H,9,11-15,17-19H2,1-8H3/b16-10+
HMDB30886	Majoroside F6	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(C\C=C\C(C)(C)O)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	InChI=1S/C48H82O19/c1-21-30(53)33(56)36(59)40(62-21)66-38-35(58)32(55)26(20-50)65-42(38)63-24-18-47(8)27(45(6)15-12-28(52)44(4,5)39(24)45)17-23(51)29-22(11-16-46(29,47)7)48(9,14-10-13-43(2,3)61)67-41-37(60)34(57)31(54)25(19-49)64-41/h10,13,21-42,49-61H,11-12,14-20H2,1-9H3/b13-10+
HMDB30885	1,24-Tetracosanediol	OCCCCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C24H50O2/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26/h25-26H,1-24H2
HMDB30884	Rutarin	CC(C)(O)C1CC2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C1OC(=O)C=CC1=C2	InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3
HMDB30889	22,23-Dihydro-alpha-spinasterone	CCC(CCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-22,25-27H,7-10,12-18H2,1-6H3
HMDB30888	Illudin C2	CC1(CO)CC2=C(C1)C(C)(O)C1(CC1)C(=C)C2=O	InChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3
HMDB40497	Melongoside H	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3
HMDB40496	2,3-Dihydroxy-12-ursen-28-oic acid; (2a,3b)-form, 2-(4-Hydroxy-3-methoxy-E-cinnamoyl)	COC1=CC(\C=C\C(=O)OC2CC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(CCC43C)C(O)=O)C(C)(C)C2O)=CC=C1O	InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-29(34(43)36(3,4)30(37)16-17-39(31,38)7)47-32(42)14-10-25-9-12-27(41)28(21-25)46-8/h9-12,14,21,23-24,29-31,33-34,41,43H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+
HMDB40495	2,3-Dihydroxy-12-ursen-28-oic acid; (2a,3b)-form, 3-(4-Hydroxy-Z-cinnamoyl)	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)C5CCC34C)C2C1C)C(O)=O	InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10+
HMDB40494	2-Hydroxy-3-oxo-12-oleanen-28-oic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)
HMDB40493	Vinaginsenoside R3	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H82O17/c1-23(2)10-9-16-48(8,65-42-39(59)36(56)33(53)27(21-50)61-42)25-13-18-46(6)24(25)11-12-30-45(5)17-15-31(44(3,4)29(45)14-19-47(30,46)7)63-43-40(37(57)34(54)28(22-51)62-43)64-41-38(58)35(55)32(52)26(20-49)60-41/h10,24-43,49-59H,9,11-22H2,1-8H3
HMDB40492	Notoginsenoside R6	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)36(58)33(55)27(66-43)20-62-41-37(59)34(56)31(53)25(18-49)64-41)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)35(57)32(54)26(19-50)65-42/h10,22-43,49-61H,9,11-20H2,1-8H3
HMDB40491	Pseudoginsenoside RT3	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OCC(O)C(O)C1O	InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(18-42)53-36)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3
HMDB40490	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-b-D-Xylopyranosyl	COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3
HMDB40499	18alpha-Hydroxyglycyrrhetic acid	CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C1(C)CCC1(C)CCC(C)(CC21O)C(O)=O	InChI=1S/C30H46O5/c1-24(2)19-8-11-29(7)22(27(19,5)10-9-21(24)32)18(31)16-20-28(29,6)15-14-26(4)13-12-25(3,23(33)34)17-30(20,26)35/h16,19,21-22,32,35H,8-15,17H2,1-7H3,(H,33,34)
HMDB40498	3-Epipapyriferic acid	CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(O)=O)C(C)(C)C3CCC2(C)C2(C)CCC(C12)C1(C)CCC(O1)C(C)(C)O	InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)
HMDB38202	Zedoarol	CC1CCC2C(=C)CC3=C(C(C)=CO3)C(=O)C12O	InChI=1S/C15H18O3/c1-8-6-12-13(9(2)7-18-12)14(16)15(17)10(3)4-5-11(8)15/h7,10-11,17H,1,4-6H2,2-3H3
HMDB35639	Petasalbin	CC1CCCC2CC3=C(C(O)C12C)C(C)=CO3	InChI=1S/C15H22O2/c1-9-8-17-12-7-11-6-4-5-10(2)15(11,3)14(16)13(9)12/h8,10-11,14,16H,4-7H2,1-3H3
HMDB35638	6-Hydroxy-8-tricosanone	CCCCCCCCCCCCCCCC(=O)CC(O)CCCCC	InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h22,24H,3-21H2,1-2H3
HMDB35633	5-Hydroxy-7-tetracosanone	CCCCCCCCCCCCCCCCCC(=O)CC(O)CCCC	InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-6-4-2/h23,25H,3-22H2,1-2H3
HMDB35632	6-Hydroxy-4-pentacosanone	CCCCCCCCCCCCCCCCCCCC(O)CC(=O)CCC	InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)23-24(26)21-4-2/h25,27H,3-23H2,1-2H3
HMDB35631	alpha-Irone	CC1CC=C(C)C(\C=C\C(C)=O)C1(C)C	InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+
HMDB35630	4-Hydroxy-6-pentacosanone	CCCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC	InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)23-24(26)21-4-2/h24,26H,3-23H2,1-2H3
HMDB35637	Petasitin	C\C=C(/C)C(=O)OC1CCC2=CC(=O)C(=CC2(C)C1C)C(C)(C)O	InChI=1S/C20H28O4/c1-7-12(2)18(22)24-17-9-8-14-10-16(21)15(19(4,5)23)11-20(14,6)13(17)3/h7,10-11,13,17,23H,8-9H2,1-6H3/b12-7+
HMDB35636	4-Hydroxy-6-tetracosanone	CCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC	InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-4-2/h23,25H,3-22H2,1-2H3
HMDB35635	Kanokoside A	CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2C3OC3C(O)(CO)C12	InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3
HMDB35634	Betulalbuside A	C\C(COC1OC(CO)C(O)C(O)C1O)=C/CCC(C)(O)C=C	InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6+
HMDB33288	Epitheaflagallin 3-O-gallate	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC2=C(C(O)=C(O)C(O)=C2)C(=O)C(O)=C1	InChI=1S/C27H20O13/c28-12-6-14(29)13-8-20(40-27(38)11-4-15(30)22(34)16(31)5-11)26(39-19(13)7-12)10-1-9-2-18(33)24(36)25(37)21(9)23(35)17(32)3-10/h1-7,20,26,28-31,33-34,36-37H,8H2,(H,32,35)
HMDB33289	Aurasperone E	COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(OC)=C1)C1=C(OC)C2=C(O)C3=C(OC(C)(O)CC3=O)C=C2C=C1OC	InChI=1S/C32H28O11/c1-13-7-17(33)26-29(36)23-16(10-15(38-3)11-20(23)40-5)24(31(26)42-13)27-19(39-4)8-14-9-21-25(18(34)12-32(2,37)43-21)28(35)22(14)30(27)41-6/h7-11,35-37H,12H2,1-6H3
HMDB02596	Deoxycholic acid 3-glucuronide	[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C30H48O10/c1-14(4-9-22(32)33)18-7-8-19-17-6-5-15-12-16(10-11-29(15,2)20(17)13-21(31)30(18,19)3)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16-,17+,18?,19+,20+,21+,23+,24+,25-,26+,28?,29+,30-/m1/s1
HMDB33284	8-Hydroxypinoresinol; 4'-Me ether	COC1=C(OC)C=C(C=C1)C1OCC2(O)C1COC2C1=CC(OC)=C(O)C=C1	InChI=1S/C21H24O7/c1-24-16-7-5-12(8-18(16)26-3)19-14-10-27-20(21(14,23)11-28-19)13-4-6-15(22)17(9-13)25-2/h4-9,14,19-20,22-23H,10-11H2,1-3H3
HMDB33285	L-erythro-5-(1-Hydroxyethyl)-2(5H)-furanone	CC(O)C1OC(=O)C=C1	InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h2-5,7H,1H3
HMDB33286	Sherry lactone	CC(O)C1CCC(=O)O1	InChI=1S/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h4-5,7H,2-3H2,1H3
HMDB33287	Theaflagallin	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC2=C(C(O)=C(O)C(O)=C2)C(=O)C(O)=C1	InChI=1S/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)
HMDB33280	8-Acetoxypinoresinol	COC1=C(O)C=CC(=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(O)C=C1	InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3
HMDB33281	8-Hydroxypinoresinol; 8-O-b-D-Glucopyranoside	COC1=C(O)C=CC(=C1)C1OCC2(OC3OC(CO)C(O)C(O)C3O)C1COC2C1=CC(OC)=C(O)C=C1	InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3
HMDB33282	8-Hydroxypinoresinol; 4-O-b-D-Glucopyranoside	COC1=C(O)C=CC(=C1)C1OCC2(O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3
HMDB33283	8-Hydroxypinoresinol; 8-Ac, 4-O-b-D-glucopyranoside	COC1=C(O)C=CC(=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C28H34O13/c1-13(30)41-28-12-38-25(14-4-6-17(31)19(8-14)35-2)16(28)11-37-26(28)15-5-7-18(20(9-15)36-3)39-27-24(34)23(33)22(32)21(10-29)40-27/h4-9,16,21-27,29,31-34H,10-12H2,1-3H3
HMDB46662	TG(22:0/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,42,45,60H,4-17,19-20,22-25,28,30-33,35-41,43-44,46-59H2,1-3H3/b21-18-,29-26-,34-27-,45-42-
HMDB46663	TG(22:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,37,42-43,45-46,60H,4-17,19-20,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b21-18-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB46660	TG(22:0/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,33,40,43,58H,4-17,19,22,24-26,28-32,34-39,41-42,44-57H2,1-3H3/b21-18-,23-20-,33-27-,43-40-
HMDB46661	TG(22:0/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,26-27,32-33,40,43,58H,4-17,19-20,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b21-18-,32-26-,33-27-,43-40-
HMDB46666	TG(22:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,33-34,41,44,59H,4-17,19,22,24-26,28,30-32,35-40,42-43,45-58H2,1-3H3/b21-18-,23-20-,33-27-,34-29-,44-41-
HMDB46667	TG(22:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,32-33,38,40-41,43,58H,4-16,19,22-25,28-31,34-37,39,42,44-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-,41-38-,43-40-
HMDB46664	TG(22:0/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,44,47,62H,4-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,36-27-,47-44-
HMDB46665	TG(22:0/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,46,49,64H,4-17,19-20,22-24,26,29-37,39-45,47-48,50-63H2,1-3H3/b21-18-,28-25-,38-27-,49-46-
HMDB46668	TG(22:0/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,33,41,44,59H,4-13,15-16,19-20,22,24-25,28-32,34-40,42-43,45-58H2,1-3H3/b17-14-,21-18-,26-23-,33-27-,44-41-
HMDB46669	TG(22:0/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,37,42,45,60H,4-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,37-35-,45-42-
HMDB02044	8-Hydroxyguanosine	NC1=NC2=C(NC(=O)N2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1	InChI=1S/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H,12,20)(H3,11,13,14,19)/t2-,4-,5-,8-/m1/s1
HMDB02042	3-Phenylpropionylglycine	OC(=O)CNCCC(=O)C1=CC=CC=C1	InChI=1S/C11H13NO3/c13-10(6-7-12-8-11(14)15)9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,14,15)
HMDB02043	5-Phenylvaleric acid	OC(=O)CCCCC1=CC=CC=C1	InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
HMDB02040	4-Methoxycinnamic acid	COC1=CC=C(\C=C\C(O)=O)C=C1	InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
HMDB00001	1-Methylhistidine	CN1C=NC(C[C@H](N)C(O)=O)=C1	InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
HMDB02048	m-Cresol	CC1=CC(O)=CC=C1	InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
HMDB41366	24,25-Diacetylvulgaroside	CC(=O)OCC1(O)CCC2C(C)(CCC3C(C)(C)CCCC23C)C1CC(O)C1=CC(=O)OC1OC(C)=O	InChI=1S/C29H44O8/c1-17(30)35-16-29(34)13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(32)19-14-24(33)37-25(19)36-18(2)31/h14,20-23,25,32,34H,7-13,15-16H2,1-6H3
HMDB41367	25-Cinnamoyl-vulgaroside	CC1(C)CCCC2(C)C1CCC1(C)C(CC(O)C3=CC(=O)OC3OC(=O)\C=C\C3=CC=CC=C3)C(O)(CO)CCC21	InChI=1S/C34H46O7/c1-31(2)15-8-16-32(3)25(31)13-17-33(4)26(32)14-18-34(39,21-35)27(33)20-24(36)23-19-29(38)41-30(23)40-28(37)12-11-22-9-6-5-7-10-22/h5-7,9-12,19,24-27,30,35-36,39H,8,13-18,20-21H2,1-4H3/b12-11+
HMDB41364	Secoeremopetasitolide A	C\C=C(\C)C(=O)OC(C1=C(C)C(O)OC1=O)C1(C)C(C)C(O)CCC1=O	InChI=1S/C19H26O7/c1-6-9(2)16(22)25-15(14-10(3)17(23)26-18(14)24)19(5)11(4)12(20)7-8-13(19)21/h6,11-12,15,17,20,23H,7-8H2,1-5H3/b9-6-
HMDB41365	25-Acetylvulgaroside	CC(=O)OC1OC(=O)C=C1C(O)CC1C(O)(CO)CCC2C1(C)CCC1C(C)(C)CCCC21C	InChI=1S/C27H42O7/c1-16(29)33-23-17(13-22(31)34-23)18(30)14-21-26(5)11-7-19-24(2,3)9-6-10-25(19,4)20(26)8-12-27(21,32)15-28/h13,18-21,23,28,30,32H,6-12,14-15H2,1-5H3
HMDB41362	Annohexocin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CC(O)CC(O)CCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-16-31(40)33-19-20-34(44-33)32(41)18-17-29(38)24-30(39)23-28(37)15-13-14-27(36)22-26-21-25(2)43-35(26)42/h21,25,27-34,36-41H,3-20,22-24H2,1-2H3
HMDB41363	Secoeremopetasitolide B	COC1OC2CCC1C(C)(C(OC(=O)C(\C)=C/C)C1=C(C)C(O)OC1=O)C2C	InChI=1S/C21H30O7/c1-7-10(2)17(22)27-16(15-11(3)18(23)28-19(15)24)21(5)12(4)14-9-8-13(21)20(25-6)26-14/h7,12-14,16,18,20,23H,8-9H2,1-6H3/b10-7-
HMDB41360	3-Methyl-2-buten-1-ol; O-[a-L-Arabinopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(C)=CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C16H28O10/c1-7(2)3-4-23-16-14(22)12(20)11(19)9(26-16)6-25-15-13(21)10(18)8(17)5-24-15/h3,8-22H,4-6H2,1-2H3
HMDB41361	2-Ethylbenzenethiol	CCC1=C(S)C=CC=C1	InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
HMDB49173	TG(18:1(11Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,33,36,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,36-33-,45-42-
HMDB49172	TG(18:1(11Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,33,36,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,36-33-
HMDB49171	TG(18:1(11Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,30,36,39,56H,4-7,9-10,12-16,18-19,22-23,25,27-29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,30-26-,39-36-
HMDB49170	TG(18:1(11Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,30,56H,4-7,9-10,12-16,18-19,22-23,25,27-29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,30-26-
HMDB49177	TG(18:1(11Z)/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-
HMDB49176	TG(18:1(11Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-
HMDB41368	Vulgaroside; 25-Cinnamoyl, 24-Ac	CC(=O)OCC1(O)CCC2C(C)(CCC3C(C)(C)CCCC23C)C1CC(O)C1=CC(=O)OC1OC(=O)\C=C\C1=CC=CC=C1	InChI=1S/C36H48O8/c1-23(37)42-22-36(41)19-15-28-34(4)17-9-16-33(2,3)27(34)14-18-35(28,5)29(36)21-26(38)25-20-31(40)44-32(25)43-30(39)13-12-24-10-7-6-8-11-24/h6-8,10-13,20,26-29,32,38,41H,9,14-19,21-22H2,1-5H3/b13-12+
HMDB41369	cis-Zeatin 9-glucoside	C\C(CO)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C(O)C1O	InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+
HMDB00008	2-Hydroxybutyric acid	CCC(O)C(O)=O	InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
HMDB03318	4b-Hydroxystanozolol	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])[C@@H](O)C3=C(C[C@]12C)C=NN3	InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)18(24)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20+,21+/m1/s1
HMDB03312	Daidzein	OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O	InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
HMDB03315	Cyclohexanone	O=C1CCCCC1	InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
HMDB55259	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h9,12,18-19,21-22,27-28,30-31,56H,4-8,10-11,13-17,20,23-26,29,32-55H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,31-28-
HMDB39637	beta-Elemenone	CC(=C)C1CC(=C(C)C)C(=O)CC1(C)C=C	InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3
HMDB39636	Abscisic alcohol; 11-O-b-D-Glucopyranoside	C\C(=C/COC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+
HMDB32627	1-Methyl-2-propylbenzene	CCCC1=C(C)C=CC=C1	InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
HMDB32626	1-Methoxy-4-propylbenzene	CCCC1=CC=C(OC)C=C1	InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
HMDB39633	N-[2-Ethoxy-2-(4-methoxyphenyl)ethyl]cinnamide	CCOC(CNC(=O)\C=C\C1=CC=CC=C1)C1=CC=C(OC)C=C1	InChI=1S/C20H23NO3/c1-3-24-19(17-10-12-18(23-2)13-11-17)15-21-20(22)14-9-16-7-5-4-6-8-16/h4-14,19H,3,15H2,1-2H3,(H,21,22)/b14-9+
HMDB32620	1-Phenylethyl acetate	CC(OC(C)=O)C1=CC=CC=C1	InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
HMDB39631	Physagulin F	CC(C1CC(C)=C(C)C(=O)O1)C12OC1C(OC(C)=O)C1(O)C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC21C	InChI=1S/C30H40O9/c1-14-12-20(38-25(34)15(14)2)16(3)30-24(39-30)23(37-17(4)31)29(36)19-13-22(33)28(35)10-7-8-21(32)27(28,6)18(19)9-11-26(29,30)5/h7-8,16,18-20,22-24,33,35-36H,9-13H2,1-6H3
HMDB39630	Nerolidyl acetate	CC(C)=CCC\C(C)=C\CCC(C)(OC(C)=O)C=C	InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
HMDB47203	TG(24:0/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,35,38,43,46,60H,4-20,22-23,25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b24-21-,28-26-,38-35-,46-43-
HMDB47202	TG(24:0/16:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-
HMDB47201	TG(24:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h21,24,26,33,58H,4-20,22-23,25,27-32,34-57H2,1-3H3/b24-21-,33-26-
HMDB47200	TG(24:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-
HMDB32629	2',5'-Dihydroxyacetophenone	[H]OC1=C([H])C(C(=O)C([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
HMDB32628	2-Aminoacetophenone	NCC(=O)C1=CC=CC=C1	InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2
HMDB39639	Physalin P	CC12OC(=O)C3CCC4C(O)(C=CC5(O)CC=CC(=O)C45C)C45OCC6C(=O)OC1CC6(C)C4C23OC5=O	InChI=1S/C28H30O10/c1-22-11-17-24(3)27-13(19(31)37-24)6-7-15-23(2)16(29)5-4-8-25(23,33)9-10-26(15,34)28(20(22)27,21(32)38-27)35-12-14(22)18(30)36-17/h4-5,9-10,13-15,17,20,33-34H,6-8,11-12H2,1-3H3
HMDB39638	Brassilexin	N1C2=C(C=NS2)C2=C1C=CC=C2	InChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H
HMDB30719	5,6-Dimethoxyflavone	COC1=C(OC)C2=C(OC(=CC2=O)C2=CC=CC=C2)C=C1	InChI=1S/C17H14O4/c1-19-14-9-8-13-16(17(14)20-2)12(18)10-15(21-13)11-6-4-3-5-7-11/h3-10H,1-2H3
HMDB30718	Sayanedin	COC1=CC=C2C(=O)C(=COC2=C1)C1=CC=C(O)C(OC)=C1	InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3
HMDB37569	Isovitexin 2''-O-arabinoside	OCC1OC(C(OC2OCC(O)C(O)C2O)C(O)C1O)C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1	InChI=1S/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2
HMDB37568	6-beta-D-Glucopyranosyl-4',5-dihydroxy-3',7-dimethoxyflavone	COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(OC)C(C1OC(CO)C(O)C(O)C1O)=C2O	InChI=1S/C23H24O11/c1-31-13-5-9(3-4-10(13)25)12-6-11(26)17-15(33-12)7-14(32-2)18(20(17)28)23-22(30)21(29)19(27)16(8-24)34-23/h3-7,16,19,21-25,27-30H,8H2,1-2H3
HMDB01547	Corticosterone	[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
HMDB30713	Mammea A/AB cyclo F	CCC(C)C(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O	InChI=1S/C25H26O6/c1-5-13(2)21(27)20-22(28)19-15(14-9-7-6-8-10-14)12-18(26)31-23(19)16-11-17(25(3,4)29)30-24(16)20/h6-10,12-13,17,28-29H,5,11H2,1-4H3
HMDB37564	Mutatoxanthin	C\C(\C=C\C=C(/C)\C=C/C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21-,28-15+,29-16+,30-18+,31-20+
HMDB30711	Cyclomammein	CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C3CC(OC3=C12)C(C)(C)O	InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
HMDB30710	Cyclomammeisin	CC(C)CC(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O	InChI=1S/C25H26O6/c1-13(2)10-17(26)21-22(28)20-15(14-8-6-5-7-9-14)12-19(27)31-23(20)16-11-18(25(3,4)29)30-24(16)21/h5-9,12-13,18,28-29H,10-11H2,1-4H3
HMDB30717	(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan	COC1=C(O)C(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1	InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
HMDB30716	2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran	COC1=C2OCOC2=CC(=C1)C1OC2=C(OC)C=C(\C=C/C)C=C2C1C	InChI=1S/C21H22O5/c1-5-6-13-7-15-12(2)19(26-20(15)16(8-13)22-3)14-9-17(23-4)21-18(10-14)24-11-25-21/h5-10,12,19H,11H2,1-4H3/b6-5-
HMDB37563	Turmeronol B	CC(CC(=O)C=C(C)C)C1=CC=C(C)C=C1O	InChI=1S/C15H20O2/c1-10(2)7-13(16)9-12(4)14-6-5-11(3)8-15(14)17/h5-8,12,17H,9H2,1-4H3
HMDB30714	Cycloneomammein	CCCC1=CC(=O)OC2=C(C(=O)C(C)CC)C(O)=C3CC(OC3=C12)C(C)(C)O	InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-21-16(12)20-13(10-14(27-20)22(4,5)26)19(25)17(21)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3
HMDB40969	a-Rhamnoisorobin; 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-b-D-galactopyranoside]	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3
HMDB40968	Fumonisin B4	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCCCC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)
HMDB40967	Fumonisin B3	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCCCC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)
HMDB40966	1,3-Octadiene	CCCC\C=C\C=C	InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5+
HMDB40965	Matesaponin 4	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C59H96O26/c1-23-11-16-59(54(75)85-52-46(74)42(70)38(66)30(81-52)22-77-49-43(71)40(68)36(64)28(19-60)79-49)18-17-57(7)26(34(59)24(23)2)9-10-32-56(6)14-13-33(55(4,5)31(56)12-15-58(32,57)8)82-53-48(84-50-44(72)39(67)35(63)25(3)78-50)47(27(62)21-76-53)83-51-45(73)41(69)37(65)29(20-61)80-51/h9,23-25,27-53,60-74H,10-22H2,1-8H3
HMDB40964	Matesaponin 3	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C53H86O22/c1-22-10-15-53(48(67)75-47-41(65)38(62)35(59)28(72-47)21-69-44-39(63)36(60)33(57)26(18-54)70-44)17-16-51(6)24(32(53)23(22)2)8-9-30-50(5)13-12-31(49(3,4)29(50)11-14-52(30,51)7)73-45-42(66)43(25(56)20-68-45)74-46-40(64)37(61)34(58)27(19-55)71-46/h8,22-23,25-47,54-66H,9-21H2,1-7H3
HMDB40963	Matesaponin 2	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H86O21/c1-22-11-16-53(48(66)74-46-41(65)38(62)35(59)28(20-55)70-46)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)71-47-43(73-44-39(63)36(60)33(57)24(3)68-44)42(26(56)21-67-47)72-45-40(64)37(61)34(58)27(19-54)69-45/h9,22-24,26-47,54-65H,10-21H2,1-8H3
HMDB40962	Melongoside L	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C57H94O27/c1-21-8-13-57(73-20-21)22(2)34-29(84-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)75-54-49(83-53-45(72)41(68)47(33(19-61)79-53)81-52-43(70)39(66)36(63)31(17-59)77-52)48(37(64)32(18-60)78-54)82-50-44(71)40(67)46(23(3)74-50)80-51-42(69)38(65)35(62)30(16-58)76-51/h21-54,58-72H,6-20H2,1-5H3
HMDB40961	Melongoside G	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3
HMDB40960	Capsicoside B2	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3
HMDB55250	TG(18:3(9Z,12Z,15Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,42,45,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-
HMDB52908	TG(18:3(6Z,9Z,12Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,30-31,37,40,56H,4-7,9-10,12-16,19,22-25,28-29,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,40-37-
HMDB52909	TG(18:3(6Z,9Z,12Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,30-31,36-37,39-40,56H,4-7,9-10,12-16,19,22-25,28-29,32-35,38,41-55H2,1-3H3/b11-8-,20-17-,21-18-,30-26-,31-27-,39-36-,40-37-
HMDB55255	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,35,57H,4-6,8,11,13-15,17,22,24,26,30,34,36-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-
HMDB52206	TG(24:1(15Z)/20:3n6/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,37,39,42,63H,4-16,18-19,22-23,27,31-36,38,40-41,43-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-30-,42-39-
HMDB59448	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,11-12,15-20,24,29-31,36,40-42,49-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59449	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,66,70,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-52,55,59,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB59446	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,49-50,53-54,61,65,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-48,51-52,55-60,62-64,66-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-/t83?,84-,85-/m1/s1
HMDB59447	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,49-50,53-54,62,66,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB59444	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-52,55,59,61-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-/t87?,88-,89-/m1/s1
HMDB59445	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,68,72,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-52,55,59,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB59442	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,50-52,54-56,62,66,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47-49,53,57-61,63-65,67-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-/t85?,86-,87-/m1/s1
HMDB59443	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,68,72,87-89,94H,5-8,11-12,15-20,24,29-31,36,40-42,49-52,55,59,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB59440	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,49-50,53-54,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-48,51-52,55-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,53-49-,54-50-/t83?,84-,85-/m1/s1
HMDB55991	DG(15:0/0:0/20:1n9)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C38H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,36,39H,3-16,19-35H2,1-2H3/b18-17-
HMDB43438	TG(15:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26-29,34,37,52H,4-16,18,21,23-25,30-33,35-36,38-51H2,1-3H3/b20-17-,22-19-,28-26-,29-27-,37-34-
HMDB43439	TG(15:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32-33,35-36,51H,4-15,18,21-24,29-31,34,37-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-32-,36-33-
HMDB43430	TG(15:0/18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,29,32,47H,4-14,17,20-23,26-28,30-31,33-46H2,1-3H3/b18-15-,19-16-,25-24-,32-29-
HMDB43431	TG(15:0/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,31,34,49H,4-15,17-18,21-22,24,27-30,32-33,35-48H2,1-3H3/b19-16-,23-20-,26-25-,34-31-
HMDB43432	TG(15:0/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26,28,33,36,51H,4-16,18,21,23-25,27,29-32,34-35,37-50H2,1-3H3/b20-17-,22-19-,28-26-,36-33-
HMDB43433	TG(15:0/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,51H,4-16,18-19,21-24,29-32,34-35,37-50H2,1-3H3/b20-17-,27-25-,28-26-,36-33-
HMDB43434	TG(15:0/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,35,38,53H,4-16,18-19,21-24,28,30-34,36-37,39-52H2,1-3H3/b20-17-,27-25-,29-26-,38-35-
HMDB43435	TG(15:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-31,35,37-38,40,53H,4-16,18-19,21-24,28,32-34,36,39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,31-30-,38-35-,40-37-
HMDB43436	TG(15:0/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,37,40,55H,4-16,18-19,21-24,28-30,32-36,38-39,41-54H2,1-3H3/b20-17-,27-25-,31-26-,40-37-
HMDB43437	TG(15:0/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,39,42,57H,4-16,18-19,21-24,28-32,34-38,40-41,43-56H2,1-3H3/b20-17-,27-25-,33-26-,42-39-
HMDB52906	TG(18:3(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-
HMDB52907	TG(18:3(6Z,9Z,12Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-
HMDB54123	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34-35,37,43,46,60H,4-15,18,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB57360	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB57845	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-8,11-12,15-20,24,29-31,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57366	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,68,72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-53,57,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB38278	cis-3-Hexenyl 3-methylbutanoate	CC\C=C/CCOC(=O)CC(C)C	InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
HMDB38279	cis-3-Hexenyl tiglate	CC\C=C/CCOC(=O)C(\C)=C\C	InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
HMDB38274	2-Hexenyl isovalerate	CCC\C=C\COC(=O)CC(C)C	InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
HMDB38275	cis-3-Hexenyl propanoate	CC\C=C/CCOC(=O)CC	InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
HMDB38276	cis-3-Hexenyl pyruvate	CC\C=C/CCOC(=O)C(C)=O	InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-
HMDB38277	cis-3-Hexenyl 2-methylbutanoate	CC\C=C/CCOC(=O)C(C)CC	InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
HMDB38270	cis-3-Hexenyl cis-3-hexenoate	CC\C=C/CCOC(=O)C\C=C/CC	InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-
HMDB38271	2-Hexenyl formate	CCC\C=C\COC=O	InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+
HMDB38272	2-Hexenyl propionate	CCC\C=C\COC(=O)CC	InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
HMDB38273	2-Hexenyl valerate	CCCCC(=O)OC\C=C\CCC	InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
HMDB39031	trans-O-Methylgrandmarin	COC1C(O)C(C)(C)OC2=C1C1=C(C=CC(=O)O1)C(OC)=C2	InChI=1S/C16H18O6/c1-16(2)15(18)14(20-4)12-10(22-16)7-9(19-3)8-5-6-11(17)21-13(8)12/h5-7,14-15,18H,1-4H3
HMDB36382	6-Deoxyfagomine	CC1NCCC(O)C1O	InChI=1S/C6H13NO2/c1-4-6(9)5(8)2-3-7-4/h4-9H,2-3H2,1H3
HMDB36383	Calystegine B5	OC1CC2NC1(O)C(O)CC2O	InChI=1S/C7H13NO4/c9-4-2-6(11)7(12)5(10)1-3(4)8-7/h3-6,8-12H,1-2H2
HMDB36380	xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one	COC1=C(C)OCC(O)C1=O	InChI=1S/C7H10O4/c1-4-7(10-2)6(9)5(8)3-11-4/h5,8H,3H2,1-2H3
HMDB36381	N-cis-Feruloyltyramine	COC1=CC(\C=C/C(=O)NCCC2=CC=C(O)C=C2)=CC=C1O	InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5-
HMDB36386	1-Phenylpropyl butyrate	CCCC(=O)OC(CC)C1=CC=CC=C1	InChI=1S/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3
HMDB36387	3-Phenylpropyl cinnamate	O=C(OCCCC1=CC=CC=C1)\C=C\C1=CC=CC=C1	InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2/b14-13+
HMDB36384	Calystegine A7	OC1CC(O)C2(O)CCC1N2	InChI=1S/C7H13NO3/c9-5-3-6(10)7(11)2-1-4(5)8-7/h4-6,8-11H,1-3H2
HMDB36385	4-Phenylbutanoic acid; Me ester	COC(=O)CCCC1=CC=CC=C1	InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
HMDB58719	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-38-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-43-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB58718	CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,37-38,41-42,77-79,84H,5-24,27-28,31-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,41-37-,42-38-/t78-,79-/m1/s1
HMDB36388	3-Phenylpropyl propanoate	CCC(=O)OCCCC1=CC=CC=C1	InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
HMDB36389	3-Phenylpropyl isovalerate	CC(C)CC(=O)OCCCC1=CC=CC=C1	InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
HMDB34717	Menthanol	CC1CCC(CC1)C(C)(C)O	InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3
HMDB34716	4-Oxononanal	CCCCCC(=O)CCC=O	InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h8H,2-7H2,1H3
HMDB34715	p-Mentha-1(6),8-dien-3-ol	CC(=C)C1CC=C(C)CC1O	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h4,9-11H,1,5-6H2,2-3H3
HMDB34714	Curdione	CC(C)C1CC(=O)C(C)CC\C=C(C)/CC1=O	InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-
HMDB34713	Fumonisin A1	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C36H61NO16/c1-6-7-10-21(3)34(53-33(47)18-25(36(50)51)16-31(44)45)29(52-32(46)17-24(35(48)49)15-30(42)43)14-20(2)13-26(39)11-8-9-12-27(40)19-28(41)22(4)37-23(5)38/h20-22,24-29,34,39-41H,6-19H2,1-5H3,(H,37,38)(H,42,43)(H,44,45)(H,48,49)(H,50,51)
HMDB34712	Prexanthoperol	CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C(=O)C2=O	InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,18,21H,6-8H2,1-5H3
HMDB34711	Protoleucomelone	CC(=O)OC1=CC=C(C=C1)C1=C(OC(C)=O)C2=C(C3=CC(OC(C)=O)=C(OC(C)=O)C=C3O2)C(OC(C)=O)=C1OC(C)=O	InChI=1S/C30H24O13/c1-13(31)37-20-9-7-19(8-10-20)25-27(40-16(4)34)29(42-18(6)36)26-21-11-23(38-14(2)32)24(39-15(3)33)12-22(21)43-30(26)28(25)41-17(5)35/h7-12H,1-6H3
HMDB34710	()-Phenylalanine	NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
HMDB34719	Isoamberboin	CC1C2C3OC(=O)C(C)C3C(O)CC(=C)C2CC1=O	InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3
HMDB34718	Isospathulenol	CC1=C2CCC(C)(O)C2C2C(CC1)C2(C)C	InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h11-13,16H,5-8H2,1-4H3
HMDB56714	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-38,73-75,80H,5-24,27,31,33-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,32-28-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB15428	Cefradine	[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O	InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
HMDB15429	Metocurine	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3	InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1
HMDB15420	Quinethazone	CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O	InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
HMDB15421	Cefamandole	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O	InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
HMDB15422	Cefazolin	[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O	InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
HMDB15423	Cefonicid	[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O	InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1
HMDB15424	Cefoperazone	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O	InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16-,22-/m1/s1
HMDB15425	Cefotetan	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O	InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1
HMDB15426	Cefoxitin	[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O	InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1
HMDB15427	Ceftizoxime	[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1
HMDB28693	Alanyl-Methionine	CSCCC(N)C(=O)NC(C)C(O)=O	InChI=1S/C8H16N2O3S/c1-5(8(12)13)10-7(11)6(9)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
HMDB28692	Alanyl-Lysine	CC(NC(=O)C(N)CCCCN)C(O)=O	InChI=1S/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)
HMDB28691	Alanyl-Leucine	CC(C)CC(N)C(=O)NC(C)C(O)=O	InChI=1S/C9H18N2O3/c1-5(2)4-7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
HMDB28690	Alanyl-Isoleucine	CCC(C)C(N)C(=O)NC(C)C(O)=O	InChI=1S/C9H18N2O3/c1-4-5(2)7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
HMDB28697	Alanyl-Threonine	CC(O)C(N)C(=O)NC(C)C(O)=O	InChI=1S/C7H14N2O4/c1-3(7(12)13)9-6(11)5(8)4(2)10/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)
HMDB28696	Alanyl-Serine	CC(NC(=O)C(N)CO)C(O)=O	InChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)
HMDB28695	Alanyl-Proline	CC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)
HMDB28694	Alanyl-Phenylalanine	CC(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O	InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)
HMDB28699	Alanyl-Tyrosine	CC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)
HMDB28698	Alanyl-Tryptophan	CC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C14H17N3O3/c1-8(14(19)20)17-13(18)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7-8,11,16H,6,15H2,1H3,(H,17,18)(H,19,20)
HMDB41462	2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one	COC1=CC=C(C=C1)C1=C2C=C(O)C(=O)C3=CC=CC(C=C1)=C23	InChI=1S/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3
HMDB48830	TG(16:1(9Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-
HMDB55459	TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-13,16-18,20-22,25-27,29-30,35-36,38-39,55H,4-7,10,14-15,19,23-24,28,31-34,37,40-54H2,1-3H3/b11-8-,12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-,39-36-
HMDB48833	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,33,39,42,54H,4-15,17-18,20,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,33-30-,42-39-
HMDB11437	PE(P-18:1(9Z)/16:0)	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,31,34,38H,3-16,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b18-17-,34-31-/t38-/m1/s1
HMDB11436	PE(P-18:1(9Z)/15:0)	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39)46-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,30,33,37H,3-16,19-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b18-17-,33-30-/t37-/m1/s1
HMDB11435	PE(P-18:1(9Z)/14:1(9Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,16-17,29,32,36H,3-9,11,13-15,18-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,17-16-,32-29-/t36-/m1/s1
HMDB11434	PE(P-18:1(9Z)/14:0)	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17,29,32,36H,3-15,18-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b17-16-,32-29-/t36-/m1/s1
HMDB11439	PE(P-18:1(9Z)/18:0)	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,33,36,40H,3-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,36-33-/t40-/m1/s1
HMDB11438	PE(P-18:1(9Z)/16:1(9Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16-18,31,34,38H,3-13,15,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,18-17-,34-31-/t38-/m1/s1
HMDB52713	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14,16-17,19,21,23-26,28,30,32-33,35,39,42,60H,4-13,15,18,20,22,27,29,31,34,36-38,40-41,43-59H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,33-32-,35-30-,42-39-
HMDB52712	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-34,38-39,41-42,59H,4-15,17,22,24,26,30,35-37,40,43-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,42-39-
HMDB52711	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28-30,32-35,39,42,60H,4-15,17-18,22,26-27,31,36-38,40-41,43-59H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,33-32-,34-29-,35-30-,42-39-
HMDB52710	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,34,60H,4-15,17-18,21-22,24,26-27,30-33,35-59H2,1-3H3/b19-16-,23-20-,28-25-,34-29-
HMDB48832	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,33,39,42,54H,4-15,17-18,22,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,33-30-,42-39-
HMDB52716	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,34,36-37,42,45,63H,4-15,18,22-23,27,31-33,35,38-41,43-44,46-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,36-34-,37-30-,45-42-
HMDB52715	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-36,39-40,43,45,48,61H,4-15,18,22-23,27,31,33,37-38,41-42,44,46-47,49-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-
HMDB52714	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-36,39-40,43,61H,4-15,18,22-23,27,31,33,37-38,41-42,44-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-
HMDB52719	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,38,41,59H,4-8,10-11,13-15,17,22,24,26,30,35-37,39-40,42-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-
HMDB52718	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,41-42,44-45,50,53,63H,4-15,18,22-23,27,31-32,38-40,43,46-49,51-52,54-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,53-50-
HMDB14481	Pimecrolimus	[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)/C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC	InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18-,26-20+/t25-,27+,28-,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1
HMDB14480	Nitrofurazone	NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O	InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+
HMDB14483	Pyrazinamide	NC(=O)C1=NC=CN=C1	InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
HMDB53005	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,40-41,43,47,50,60H,4-15,17,20,22-24,30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-,50-47-
HMDB14484	Metixene	CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1	InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
HMDB14487	Diltiazem	COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O	InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
HMDB14486	Terfenadine	CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
HMDB14488	Protriptyline	CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
HMDB13288	Nonanoylcarnitine	CCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3
HMDB13286	N-Undecanoylglycine	CCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C13H25NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
HMDB13287	Ne,Ne dimethyllysine	CN(C)CCCCC(N)C(O)=O	InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)
HMDB13130	Glutarylcarnitine	C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CCCC(O)=O	InChI=1S/C12H21NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h9H,4-8H2,1-3H3,(H-,14,15,16,17)/t9-/m0/s1
HMDB13131	Hydroxyhexanoycarnitine	CCCC(O)CC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C13H25NO5/c1-5-6-10(15)7-13(18)19-11(8-12(16)17)9-14(2,3)4/h10-11,15H,5-9H2,1-4H3/t10?,11-/m0/s1
HMDB13132	Hydroxyvalerylcarnitine	CCC(O)CC(O)O[C@@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C12H25NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,12,14,17H,5-8H2,1-4H3/t9?,10-,12?/m0/s1
HMDB13133	Methylmalonylcarnitine	CC(C(O)=O)C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C11H19NO6/c1-7(10(15)16)11(17)18-8(5-9(13)14)6-12(2,3)4/h7-8H,5-6H2,1-4H3,(H-,13,14,15,16)/t7?,8-/m0/s1
HMDB13134	Fumarycarnitine	[O-]C(=O)C[C@H](OC(=O)\C=C\C(O)=O)C[N+](C)(C)C	InChI=1S/C11H17NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h4-5,8H,6-7H2,1-3H3,(H-,13,14,15,16)/b5-4+/t8-/m0/s1
HMDB13136	1,2 Diaminopropane	CC(N)CN	InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
HMDB13139	1-Hydroxypyrene	OC1C=CC2=CCC3=C4C(C=CC1=C24)=CC=C3	InChI=1S/C16H12O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-3,5-9,14,17H,4H2
HMDB07764	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,28,30,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-27,29,31-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,30-28-/t38-/m0/s1
HMDB07765	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,29,31,39,42H,3-4,6,8-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-24-,31-29-/t39-/m0/s1
HMDB07766	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,29,31,39,42H,3-4,6,8-10,12,15,19,22-23,26-28,30,32-38H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t39-/m0/s1
HMDB07767	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,41,44H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t41-/m0/s1
HMDB12429	PS(20:4(5Z,8Z,11Z,14Z)/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23,25,36-37H,3-10,12,14-15,18,21-22,24,26-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,17-16-,20-19-,25-23-/t36-,37+/m1/s1
HMDB12428	PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C48H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(51)59-44(42-57-60(54,55)58-43-45(49)48(52)53)41-56-46(50)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,34,36,44-45H,3-4,6,8-10,15-16,21,23,26,29,31-33,35,37-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t44-,45+/m1/s1
HMDB07762	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,27,29,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1
HMDB07763	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,27,29,37,40H,3-4,6,8-9,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1
HMDB12425	PS(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,40-41H,3-5,7,9-10,15-16,20,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t40-,41+/m1/s1
HMDB12424	PS(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,40-41H,3-10,15-16,20,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,14-12-,19-17-,21-18-,23-22-/t40-,41+/m1/s1
HMDB12427	PS(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C46H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,30,32,42-43H,3-10,15-16,21-22,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t42-,43+/m1/s1
HMDB12426	PS(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,42-43H,3-10,15-16,21-22,27-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t42-,43+/m1/s1
HMDB12421	PS(20:3(8Z,11Z,14Z)/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,38-39H,3-10,12,15,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,18-17-,22-20-/t38-,39+/m1/s1
HMDB12420	PS(20:3(8Z,11Z,14Z)/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,38-39H,3-10,12,14-16,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,18-17-,22-20-/t38-,39+/m1/s1
HMDB12423	PS(20:3(8Z,11Z,14Z)/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,40-41H,3-10,12,14-16,20,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,21-18-,23-22-/t40-,41+/m1/s1
HMDB12422	PS(20:3(8Z,11Z,14Z)/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,40-41H,3-10,12,14-16,18,20-21,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,23-22-/t40-,41+/m1/s1
HMDB58782	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB58783	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB58780	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,47,51,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB36334	2-Hydroxy-2-phenylacetonitrile; (S)-form, O-[b-D-Apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	OCC1OC(OC(C#N)C2=CC=CC=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C19H25NO10/c20-6-11(10-4-2-1-3-5-10)28-17-15(14(24)13(23)12(7-21)29-17)30-18-16(25)19(26,8-22)9-27-18/h1-5,11-18,21-26H,7-9H2
HMDB58786	CL(18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB36332	4'-Hydroxyacetophenone, 8CI; O-[4-Hydroxybenzoyl-(-&gt;5)-b-D-apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	CC(=O)C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(COC(=O)C3=CC=C(O)C=C3)C2O)C=C1	InChI=1S/C26H30O13/c1-13(28)14-4-8-17(9-5-14)37-24-21(20(31)19(30)18(10-27)38-24)39-25-22(32)26(34,12-36-25)11-35-23(33)15-2-6-16(29)7-3-15/h2-9,18-22,24-25,27,29-32,34H,10-12H2,1H3
HMDB58784	CL(18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-38,40-41,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB36330	Homodihydrocapsaicin	COC1=CC(CNC(=O)CCCCCCCC(C)C)=CC=C1O	InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)
HMDB54042	TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB04527	1D-Myo-inositol 1,4,5,6-tetrakisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O	InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m1/s1
HMDB59128	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61,64,68,83-85,90H,5-8,10-12,14-20,24,29-31,39-40,43,47-49,53,55,58-60,62-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,68-64-/t83?,84-,85-/m1/s1
HMDB59121	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64-65,67,69,71,86-88,93H,5-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,66,68,70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-,69-65-,71-67-/t86?,87-,88-/m1/s1
HMDB59120	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-20,24,28-32,40-41,44,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59123	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,44-46,48-51,55-58,60-63,67-70,72-74,89-91,96H,5-20,29-32,41-43,47,52-54,59,64-66,71,75-88H2,1-4H3,(H,101,102)(H,103,104)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB59122	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59125	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-28,33-40,44-46,48-51,55-58,60-63,67-70,72-74,89-91,96H,5-10,12-14,16-20,29-32,41-43,47,52-54,59,64-66,71,75-88H2,1-4H3,(H,101,102)(H,103,104)/b15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB59124	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-28,33-40,44-46,48-51,55-58,60-63,67-69,72-73,89-91,96H,5-10,12-14,16-20,29-32,41-43,47,52-54,59,64-66,70-71,74-88H2,1-4H3,(H,101,102)(H,103,104)/b15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-/t89?,90-,91-/m1/s1
HMDB59127	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63,66,70,85-87,92H,5-8,10-12,14-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,64-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,70-66-/t85?,86-,87-/m1/s1
HMDB59126	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61,64,68,83-85,90H,5-8,10-12,14-20,24,28-32,39-40,43,47-49,53,55,58-60,62-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,68-64-/t83?,84-,85-/m1/s1
HMDB00237	Propionic acid	CCC(O)=O	InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
HMDB07849	LPA(0:0/16:0)	[H][C@@](CO)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)26-18(16-20)17-25-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
HMDB00235	Thiamine	CC1=C(CCO)SC=[N+]1CC1=C(N)N=C(C)N=C1	InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
HMDB00234	Testosterone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
HMDB00232	Quinolinic acid	OC(=O)C1=CC=CN=C1C(O)=O	InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
HMDB00230	N-Acetylneuraminic acid	CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O	InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
HMDB11195	2-Hydroxy-3-methoxyestrone	COC1=C(O)C=C2C3CC[C@]4(C)C(CCC4=O)C3CCC2=C1	InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12?,13?,15?,19-/m1/s1
HMDB00239	Pyridoxine	CC1=NC=C(CO)C(CO)=C1O	InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
HMDB00238	Sepiapterin	C[C@H](O)C(=O)C1=NC2=C(NC1)NC(N)=NC2=O	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1
HMDB58838	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB58839	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB58834	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-9,11-13,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58835	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,47,50,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-46,48-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-/t79?,80-,81-/m1/s1
HMDB58836	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB58837	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,47,50,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-46,48-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-47-/t79?,80-,81-/m1/s1
HMDB58830	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-40,42-46,49,53,61,65,82-84,89H,5-20,22-24,29,34-36,41,47-48,50-52,54-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,30-26-,31-27-,32-28-,37-33-,43-42-,44-38-,45-39-,46-40-,53-49-,65-61-/t82?,83-,84-/m1/s1
HMDB58831	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-40,42,44-46,48,50,52,54,60,62,64,66,83-85,90H,5-20,23-24,29-30,35-36,41,43,47,49,51,53,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,52-48-,54-50-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB58832	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58833	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,68,85-87,92H,5-9,11-13,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB42789	TG(14:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,30,33,48H,4-6,8-9,11-15,17-18,21-22,26-29,31-32,34-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,33-30-
HMDB42788	TG(14:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,28,31,46H,4-6,8-9,11-13,15,18,20-22,25-27,29-30,32-45H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,31-28-
HMDB07847	DG(24:1(15Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,49,52H,3-16,18,20-48H2,1-2H3/b19-17-/t49-/m0/s1
HMDB07846	DG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,28,32,34,38,40,47,50H,3-5,7,9-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t47-/m0/s1
HMDB42781	TG(14:0/18:4(6Z,9Z,12Z,15Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,16,19,23-24,28,31,46H,4-6,8-9,11-15,17-18,20-22,25-27,29-30,32-45H2,1-3H3/b10-7-,19-16-,24-23-,31-28-
HMDB42780	TG(14:0/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,51H,4-7,9-10,12-16,18-19,21-24,26,28-50H2,1-3H3/b11-8-,20-17-,27-25-
HMDB35787	(2Z,4E,6E)-2,4,6,10-Farnesatetraene	C\C=C(/C)\C=C\C=C(\C)CCC=C(C)C	InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6+,15-12-
HMDB53248	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-45,50,53,62H,4-6,9,12-15,22-24,30-31,37-39,46-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,53-50-
HMDB53249	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-45,49-50,52-53,62H,4-6,9,12-15,22-24,30-31,37-39,46-48,51,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB35786	Valerenal	CC1CCC(\C=C(/C)C=O)C2=C(C)CCC12	InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+
HMDB53242	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-36,40-45,50,53,62H,4-7,9-10,12-15,22-24,30-31,37-39,46-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,53-50-
HMDB53243	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-36,40-45,49-50,52-53,62H,4-7,9-10,12-15,22-24,30-31,37-39,46-48,51,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB53240	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-6,8-9,11-15,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB53241	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-7,9-10,12-15,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB53246	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-6,9,12-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-
HMDB53247	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-6,9,12-15,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB53244	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-33,37,39-40,42,46,49,58H,4-6,9,12-15,22-24,29,34-36,38,41,43-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,42-39-,49-46-
HMDB53245	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-33,37-42,46,49,58H,4-6,9,12-15,22-24,29,34-36,43-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-,49-46-
HMDB06969	CDP-DG(16:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C46H85N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h33-34,38-39,43-45,52-53H,3-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/t38-,39-,43+,44?,45-/m1/s1
HMDB06968	CDP-DG(16:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41+,42?,43-/m1/s1
HMDB49375	TG(18:1(11Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,37,40,62H,4-16,18-19,22-23,27,30-36,38-39,41-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,40-37-
HMDB49374	TG(18:1(11Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,61H,4-13,15-16,18-20,22,27,29-60H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB49377	TG(18:1(11Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,64H,4-16,18-19,22-23,27,30-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-
HMDB49376	TG(18:1(11Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,37,40,46,49,62H,4-16,18-19,22-23,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,40-37-,49-46-
HMDB06961	Hydroxyacetone	CC(=O)CO	InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
HMDB49370	TG(18:1(11Z)/24:1(15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,64H,4-20,22-23,27,30-63H2,1-3H3/b24-21-,28-25-,29-26-
HMDB49373	TG(18:1(11Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,34,40,43,60H,4-16,18-19,22-23,27,29-33,35-39,41-42,44-59H2,1-3H3/b20-17-,24-21-,28-25-,34-26-,43-40-
HMDB49372	TG(18:1(11Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,36,61H,4-19,22,26-27,30-35,37-60H2,1-3H3/b23-20-,24-21-,28-25-,36-29-
HMDB02601	A,b-Dihydroxyisobutyric acid	CC(O)(CO)C(O)=O	InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)
HMDB35789	Matairesinol	COC1=CC(CC2C(CC3=CC(OC)=C(O)C=C3)COC2=O)=CC=C1O	InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3
HMDB35788	Liquiritic acid	[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27+,28-,29+,30+/m0/s1
HMDB49999	TG(18:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,38,42,45,51,54,64H,4-7,9-10,12-16,18-19,21-24,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,38-27-,45-42-,54-51-
HMDB49998	TG(18:1(9Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,38,42,45,64H,4-7,9-10,12-16,18-19,21-24,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,38-27-,45-42-
HMDB42006	ricinine	COC1=C(C#N)C(=O)N(C)C=C1	InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
HMDB49990	TG(18:1(9Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36-37,40,46,49,62H,4-16,18-19,21-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,40-37-,49-46-
HMDB49993	TG(18:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,38,42,45,51,54,64H,4-16,18-19,21-24,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,38-27-,45-42-,54-51-
HMDB49992	TG(18:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,38,42,45,64H,4-16,18-19,21-24,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,38-27-,45-42-
HMDB49995	TG(18:1(9Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,34-35,40,43,60H,4-7,9-10,12-16,18-19,21-24,29-33,36-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,35-27-,43-40-
HMDB49994	TG(18:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,34-35,60H,4-7,9-10,12-16,18-19,21-24,29-33,36-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,35-27-
HMDB49997	TG(18:1(9Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36-37,40,46,49,62H,4-7,9-10,12-16,18-19,21-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,40-37-,49-46-
HMDB49996	TG(18:1(9Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36-37,40,62H,4-7,9-10,12-16,18-19,21-24,30-35,38-39,41-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,40-37-
HMDB31908	Chatenaytrienin 4	CCCCCCCCCC\C=C/CC\C=C\CC\C=C\CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h12-13,16-17,20-21,34-35H,3-11,14-15,18-19,22-33H2,1-2H3/b13-12-,17-16+,21-20+
HMDB50588	TG(20:1(11Z)/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,37,63H,4-20,22-23,27,31-36,38-62H2,1-3H3/b24-21-,28-25-,29-26-,37-30-
HMDB42004	quinaldine	CC1=NC2=CC=CC=C2C=C1	InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
HMDB50589	TG(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-30,32-33,58H,4-19,22,26-27,31,34-57H2,1-3H3/b23-20-,24-21-,28-25-,32-29-,33-30-
HMDB30263	Rhazidigenine Nb-oxide	CCC12CCCN(=O)(C1)CCC1(O)C(CC2)=NC2=C1C=CC=C2	InChI=1S/C19H26N2O2/c1-2-18-9-5-12-21(23,14-18)13-11-19(22)15-6-3-4-7-16(15)20-17(19)8-10-18/h3-4,6-7,22H,2,5,8-14H2,1H3
HMDB30262	Isomurrayazoline	CC1=CC2=C(C=C1)N1C3=C2C=CC2=C3C3CC(C)(CCC3C1(C)C)O2	InChI=1S/C23H25NO/c1-13-5-7-18-15(11-13)14-6-8-19-20-16-12-23(4,25-19)10-9-17(16)22(2,3)24(18)21(14)20/h5-8,11,16-17H,9-10,12H2,1-4H3
HMDB30261	Quinine sulfate	OS(O)(=O)=O.COC1=CC=C2N=CC=C([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)C2=C1.COC1=CC=C2N=CC=C([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)C2=C1	InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14?,19-,20+;/m00./s1
HMDB30260	(-)-Quebrachamine	CCC12CCCN(C1)CCC1=C(CC2)NC2=CC=CC=C12	InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3
HMDB30267	(R)-Boschniakine	CC1CCC2=C1C=NC=C2C=O	InChI=1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3
HMDB30266	Berberrubine	COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1O	InChI=1S/C19H15NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,6-9H,4-5,10H2,1H3/p+1
HMDB30265	2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone	COC1=C(O)C2=C(C=C1)C(=O)C1=C(N2C)C2=C(OC(C)(C)C=C2)C=C1O	InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12(22)15-16(10)21(3)17-11(18(15)23)5-6-13(25-4)19(17)24/h5-9,22,24H,1-4H3
HMDB30264	(R)-Roemerine	CN1CCC2=CC3=C(OCO3)C3=C2C1CC1=C3C=CC=C1	InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
HMDB56591	CL(16:0/18:1(11Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-26,29-30,69-71,76H,5-24,27-28,31-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-/t69?,70-,71-/m1/s1
HMDB56590	CL(16:0/18:1(11Z)/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,30,35,38,73-75,80H,5-25,27-29,31-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,38-35-/t73?,74-,75-/m1/s1
HMDB30269	Nigellicine	CC1=CC(O)=C2C(=C1)N1CCCC[N+]1=C2C([O-])=O	InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)
HMDB30268	Dumetorine	CN1CCCCC1CC1CC(C)=CC(=O)O1	InChI=1S/C13H21NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h8,11-12H,3-7,9H2,1-2H3
HMDB56595	CL(16:0/18:1(11Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t71?,72-,73-/m1/s1
HMDB56594	CL(16:0/18:1(11Z)/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,28-29,32,34,36,71-73,78H,5-24,26-27,30-31,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB56597	CL(16:0/18:1(11Z)/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,71-73,78H,5-24,27,31,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,32-28-/t71?,72-,73-/m1/s1
HMDB56596	CL(16:0/18:1(11Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,73-75,80H,5-24,27-28,31-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-/t73?,74-,75-/m1/s1
HMDB03259	Dihydrocortisol	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C	InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1
HMDB03252	Thromboxane B2	CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
HMDB03254	Muramic acid	C[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O	InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7+,9-/m1/s1
HMDB03255	Amylopectin	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C30H52O26/c31-1-6-11(35)13(37)19(43)28(50-6)55-24-9(4-34)52-27(21(45)16(24)40)48-5-10-25(56-29-20(44)14(38)12(36)7(2-32)51-29)17(41)22(46)30(53-10)54-23-8(3-33)49-26(47)18(42)15(23)39/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-/m1/s1
HMDB57978	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26-28,30-33,36,73-75,80H,5-25,29,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,32-28-,36-33-/t73?,74-,75-/m1/s1
HMDB57979	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,38,75-77,82H,5-24,26,30,33,35-37,39-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-,32-28-,38-34-/t75?,76-,77-/m1/s1
HMDB57974	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,29,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1
HMDB57975	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,29,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57976	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26-27,30-31,33,36,73-75,80H,5-25,28-29,32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,36-33-/t73?,74-,75-/m1/s1
HMDB57977	CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,38,75-77,82H,5-24,26,28,30,32-33,35-37,39-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-,38-34-/t75?,76-,77-/m1/s1
HMDB57970	CL(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57971	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36,40,75-77,82H,5-24,28,32-35,37-39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,40-36-/t75?,76-,77-/m1/s1
HMDB57972	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37,42,46,54,58,77-79,84H,5-20,22-24,29,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57973	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,29,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56629	CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,44,48,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-44-/t77?,78-,79-/m1/s1
HMDB56628	CL(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1
HMDB56627	CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB56626	CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB56625	CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,41,44,48,56,60,77-79,84H,5-20,22-24,27-29,31-32,34,37,40,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,36-33-,39-38-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB56624	CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,38-39,44,48,56,60,77-79,84H,5-20,22-24,28-29,32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB56623	CL(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56622	CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,28-30,32,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB56621	CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,39-40,42,50,54,75-77,82H,5-20,22-24,27-29,31-32,34,37-38,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,36-33-,39-35-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB50008	TG(18:1(9Z)/18:2(9Z,12Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,27,29-30,32,56H,4-12,14-15,17-19,21,24,26,28,31,33-55H2,1-3H3/b16-13-,23-20-,25-22-,30-27-,32-29-
HMDB51482	TG(22:1(13Z)/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,62H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-
HMDB51483	TG(22:1(13Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,64H,4-15,17-18,20-24,27,30-63H2,1-3H3/b19-16-,28-25-,29-26-
HMDB51480	TG(22:1(13Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,61H,4-14,16-17,19-23,26,29-60H2,1-3H3/b18-15-,27-24-,28-25-
HMDB51481	TG(22:1(13Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,62H,4-16,18-19,21-24,27,30-35,37-38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,39-36-
HMDB51486	TG(22:1(13Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-
HMDB51487	TG(22:1(13Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,40,43,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-,43-40-
HMDB51484	TG(22:1(13Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,41,44,64H,4-15,17-18,20-24,27,30-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,44-41-
HMDB51485	TG(22:1(13Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,41,44,50,53,64H,4-15,17-18,20-24,27,30-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,44-41-,53-50-
HMDB51488	TG(22:1(13Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,62H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-
HMDB51489	TG(22:1(13Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB54710	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,44,47,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-
HMDB41506	2-Benzyl-5-hydroxymethyl-1,3-dioxolane	OCC1COC(CC2=CC=CC=C2)O1	InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
HMDB41507	3'-O-Methylcatechin	[H]OC1=C([H])C2=C(C(O[H])=C1[H])C([H])([H])[C@]([H])(O[H])[C@]([H])(O2)C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
HMDB41504	3-Thiophenemethanol	OCC1=CSC=C1	InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
HMDB41505	5-Hydroxy-2-benzyl-1,3-dioxane	OC1COC(CC2=CC=CC=C2)OC1	InChI=1S/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
HMDB41502	2-Acetyl-3-methylthiophene	CC(=O)C1=C(C)C=CS1	InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3
HMDB41503	Bis(2-furanylmethyl) sulfide	C(SCC1=CC=CO1)C1=CC=CO1	InChI=1S/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2
HMDB41500	1-Deoxy-D-glucitol	CC(O)C(O)C(O)C(O)CO	InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3
HMDB41501	Isopentadecane	CCCCCCCCCCCCC(C)C	InChI=1S/C15H32/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h15H,4-14H2,1-3H3
HMDB50287	TG(18:1(9Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,35,38,55H,4-16,18-19,21-25,28,31-34,36-37,39-54H2,1-3H3/b20-17-,29-26-,30-27-,38-35-
HMDB50286	TG(18:1(9Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,22,27-28,30-31,56H,4-18,20-21,23-26,29,32-55H2,1-3H3/b22-19-,30-27-,31-28-
HMDB50285	TG(18:1(9Z)/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,27-28,35,61H,4-24,26,29-34,36-60H2,1-3H3/b28-25-,35-27-
HMDB50284	TG(18:1(9Z)/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,27-28,33,59H,4-24,26,29-32,34-58H2,1-3H3/b28-25-,33-27-
HMDB50283	TG(18:1(9Z)/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31-32,35,41,44,57H,4-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,31-27-,35-32-,44-41-
HMDB50282	TG(18:1(9Z)/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31,57H,4-24,26,29-30,32-56H2,1-3H3/b28-25-,31-27-
HMDB41508	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; (S)-form, O-b-D-Galactopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C=C2O1	InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3
HMDB41509	Dihydroconiferin	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CCCO)=C1	InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3
HMDB54999	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,40-41,43,47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-,50-47-
HMDB54998	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-
HMDB54997	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-15,18,21-24,31-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-
HMDB54996	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,36,39,45,48,59H,4-15,17-18,20-24,26,29-30,34-35,37-38,40-44,46-47,49-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,39-36-,48-45-
HMDB54995	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,8-9,11-15,18,21-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-
HMDB54994	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,39-40,42-43,49,52,62H,4-6,8-9,11-15,18,21-24,30-31,37-38,41,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,52-49-
HMDB54993	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-7,9-10,12-15,18,21-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB54992	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-35,37-38,41,47,50,60H,4-7,9-10,12-15,18,21-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-
HMDB54991	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-33,36,38-39,41,45,48,58H,4-7,9-10,12-15,18,21-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-
HMDB54990	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-33,36,39,45,48,58H,4-7,9-10,12-15,18,21-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-
HMDB48035	TG(14:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,40,43,56H,4-14,16,19,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,43-40-
HMDB03929	5-Aminoimidazole	NC1=CN=CN1	InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)
HMDB48034	TG(14:1(9Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,56H,4-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-
HMDB03920	Protopine	CN1CCC2=C(C=C3OCOC3=C2)C(=O)CC2=C(C1)C1=C(OCO1)C=C2	InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
HMDB48037	TG(14:1(9Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,36,39,58H,4-14,17,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,39-36-
HMDB53035	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,32-33,38-39,41-42,58H,4-7,9-10,12-16,19,22-24,29-31,34-37,40,43-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-
HMDB48036	TG(14:1(9Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,58H,4-14,17,20-23,28-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-
HMDB53034	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,32-33,39,42,58H,4-7,9-10,12-16,19,22-24,29-31,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,42-39-
HMDB48031	TG(14:1(9Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,31,55H,4-14,16-17,19,21-22,25,28-30,32-54H2,1-3H3/b18-15-,23-20-,26-24-,31-27-
HMDB53037	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,38,40,43-44,47,60H,4-7,9-10,12-16,19,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB48030	TG(14:1(9Z)/22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,60H,4-14,16-17,19-23,28-59H2,1-3H3/b18-15-,26-24-,27-25-
HMDB50755	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-
HMDB50754	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-
HMDB50757	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-33,35,40-41,43-44,58H,4-8,10-11,13-17,19-20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-
HMDB50756	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,40,43,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,43-40-
HMDB50751	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,35,58H,4-6,8,11,13-15,17,20,22-24,30-31,34,36-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-
HMDB48033	TG(14:1(9Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,55H,4-13,16,19-22,27-54H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB50753	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-
HMDB50752	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,35,41,44,58H,4-6,8,11,13-15,17,20,22-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,44-41-
HMDB53031	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,36,42,45,62H,4-15,17,20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB48032	TG(14:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,30,35,38,54H,4-14,16,19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b18-15-,20-17-,26-24-,30-25-,38-35-
HMDB50759	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,44,47,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,47-44-
HMDB50758	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,42,45,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,45-42-
HMDB53030	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,38,40,43-44,47,60H,4-16,19,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB54665	TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-41,46,49,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-
HMDB54664	TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,38-41,60H,4-6,8-9,11-15,18,21-24,29-30,35-37,42-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-
HMDB54667	TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,39-40,42-43,62H,4-15,18,21-24,27,30-31,36-38,41,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-
HMDB54666	TG(22:4(7Z,10Z,13Z,16Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,35,37,57H,4-15,17-18,20-24,26,28-29,32-34,36,38-56H2,1-3H3/b19-16-,27-25-,31-30-,37-35-
HMDB54661	TG(22:4(7Z,10Z,13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35-37,39,56H,4-7,9-10,12-15,18,21-24,28,32-34,38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-
HMDB53033	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,40,42-43,45,49,52,62H,4-15,17,20,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB54663	TG(22:4(7Z,10Z,13Z,16Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,39,41,44,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB54662	TG(22:4(7Z,10Z,13Z,16Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,39,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-
HMDB53032	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,40,42-43,45,62H,4-15,17,20,22-24,30-31,33,35,37-39,41,44,46-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-
HMDB54669	TG(22:4(7Z,10Z,13Z,16Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30-32,36,39,58H,4-7,9-10,12-15,18,21-24,27,29,33-35,37-38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-
HMDB54668	TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,39-40,42-43,48,51,62H,4-15,18,21-24,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-
HMDB48105	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,30,36,39,54H,4-14,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,30-25-,39-36-
HMDB48104	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,34,36-37,39,52H,4-14,21-23,27,31-33,35,38,40-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB48107	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,32,35-36,39,41,44,54H,4-14,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-
HMDB48106	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,32,35-36,39,54H,4-14,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-
HMDB48101	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,31-32,34-35,50H,4-14,21-23,28-30,33,36-49H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-
HMDB48100	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h15,17-20,22,25-28,33,36,51H,4-14,16,21,23-24,29-32,34-35,37-50H2,1-3H3/b18-15-,20-17-,22-19-,27-25-,28-26-,36-33-
HMDB48103	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,34,37,52H,4-14,21-23,27,31-33,35-36,38-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-
HMDB48102	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h13,15-18,20,22,24-25,27,33,36,51H,4-12,14,19,21,23,26,28-32,34-35,37-50H2,1-3H3/b16-13-,18-15-,20-17-,24-22-,27-25-,36-33-
HMDB58247	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB48109	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,31-32,34-35,50H,4-6,8-9,11-14,21-23,28-30,33,36-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-
HMDB48108	TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,32,35,50H,4-6,8-9,11-14,21-23,28-31,33-34,36-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,35-32-
HMDB58246	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,51-52,55-56,64,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58245	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-/t83?,84-,85-/m1/s1
HMDB58244	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-44,46,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,45,47-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58222	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58225	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB09449	PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,23,25,37H,3-4,6,8-9,14-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-,25-23-/t37-/m1/s1
HMDB09448	PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,37H,3-4,6,8-10,12,14-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,17-16-,20-19-,25-23-/t37-/m1/s1
HMDB09447	PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,35,38,42H,3-4,6,8-10,12,14-16,21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,20-18-,24-22-,38-35-/t42-/m1/s1
HMDB09446	PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,38-35-/t42-/m1/s1
HMDB09445	PE(20:4(8Z,11Z,14Z,17Z)/P-18:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,35,38,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,24-22-,38-35-/t42-/m1/s1
HMDB09444	PE(20:4(8Z,11Z,14Z,17Z)/P-16:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,36-33-/t40-/m1/s1
HMDB09443	PE(20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,47H,3-5,7,9-11,13,15-16,21-26,28,30-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,29-27-/t47-/m1/s1
HMDB09442	PE(20:4(8Z,11Z,14Z,17Z)/24:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,47H,3-5,7,9-11,13,15-17,19,21-26,28,30-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,29-27-/t47-/m1/s1
HMDB09441	PE(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30,34,36,45H,3-4,9-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-/m1/s1
HMDB09440	PE(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30,45H,3-4,9-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t45-/m1/s1
HMDB01270	Glyceric acid 1,3-biphosphate	OC(COP(O)(O)=O)C(=O)OP(O)(O)=O	InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)
HMDB01271	Pseudouridine 5'-phosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O	InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1
HMDB01272	Nicotine glucuronide	CN1CCC[C@H]1C1=C[N+](=CC=C1)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O	InChI=1S/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/t10-,11-,12-,13+,14-,15-/m0/s1
HMDB01273	Guanosine triphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
HMDB01274	dTDP	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O	InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
HMDB01275	Propionyl-CoA	CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1
HMDB01276	N1-Acetylspermidine	CC(=O)NCCCNCCCCN	InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
HMDB01278	Presqualene diphosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\[C@@]1([H])[C@]([H])(COP(O)(=O)OP(O)(O)=O)[C@@]1(C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1
HMDB40750	Camelliasaponin B1	C\C=C(/C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C=O)C4CCC3(C)C1(C)CC2O	InChI=1S/C58H90O26/c1-9-24(2)48(75)77-23-58-26(16-53(3,4)17-32(58)63)25-10-11-31-54(5)14-13-34(55(6,22-61)30(54)12-15-56(31,7)57(25,8)18-33(58)64)80-52-46(84-50-41(71)39(69)37(67)29(20-60)79-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(62)21-76-51)83-49-40(70)38(68)36(66)28(19-59)78-49/h9-10,22,26-46,49-52,59-60,62-72H,11-21,23H2,1-8H3,(H,73,74)/b24-9+
HMDB40751	Camelliasaponin B2	C\C=C(/C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO	InChI=1S/C58H90O26/c1-9-24(2)48(75)79-34-18-53(3,4)16-26-25-10-11-31-54(5)14-13-33(55(6,22-61)30(54)12-15-56(31,7)57(25,8)17-32(64)58(26,34)23-62)80-52-46(84-50-41(71)39(69)37(67)29(20-60)78-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(63)21-76-51)83-49-40(70)38(68)36(66)28(19-59)77-49/h9-10,22,26-46,49-52,59-60,62-72H,11-21,23H2,1-8H3,(H,73,74)/b24-9+
HMDB40752	Camelliasaponin C1	C\C=C(/C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO	InChI=1S/C58H92O26/c1-9-24(2)48(75)79-34-18-53(3,4)16-26-25-10-11-31-54(5)14-13-33(55(6,22-61)30(54)12-15-56(31,7)57(25,8)17-32(64)58(26,34)23-62)80-52-46(84-50-41(71)39(69)37(67)29(20-60)78-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(63)21-76-51)83-49-40(70)38(68)36(66)28(19-59)77-49/h9-10,26-46,49-52,59-72H,11-23H2,1-8H3,(H,73,74)/b24-9+
HMDB40753	3beta-Cycloartane-3,29-diol	CC(C)CCCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)CO	InChI=1S/C30H52O2/c1-20(2)8-7-9-21(3)22-12-14-28(6)24-11-10-23-26(4,19-31)25(32)13-15-29(23)18-30(24,29)17-16-27(22,28)5/h20-25,31-32H,7-19H2,1-6H3
HMDB40754	(3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide	CC1C(O)CCC2CC3OC(=O)C(C)=C3CC12C	InChI=1S/C15H22O3/c1-8-11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)18-14(8)17/h9-10,12-13,16H,4-7H2,1-3H3
HMDB40755	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8b,10b)-form, 6-Me ether	COC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C	InChI=1S/C16H24O4/c1-8-13-12(20-15(8)18)7-10-5-6-11(17)9(2)16(10,3)14(13)19-4/h9-12,14,17H,5-7H2,1-4H3
HMDB40756	3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide	COC1C2=C(C)C(=O)OC2(CC2CCC(O)C(C)C12C)OC	InChI=1S/C17H26O5/c1-9-13-14(20-4)16(3)10(2)12(18)7-6-11(16)8-17(13,21-5)22-15(9)19/h10-12,14,18H,6-8H2,1-5H3
HMDB40757	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8aOH)-form, 6-Tigloyl	C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C	InChI=1S/C20H28O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-14,16,21,24H,7-9H2,1-5H3/b10-6+
HMDB40758	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8bOH)-form, 6-Tigloyl	C\C=C(\C)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C	InChI=1S/C20H28O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-14,16,21,24H,7-9H2,1-5H3/b10-6-
HMDB40759	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8bOH)-form, 3-Ketone, 6-angeloyl	C\C=C(\C)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(=O)C(C)C12C	InChI=1S/C20H26O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-13,16,24H,7-9H2,1-5H3/b10-6-
HMDB45508	TG(20:0/15:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB45509	TG(20:0/15:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,53H,4-25,27-28,30-52H2,1-3H3/b29-26-
HMDB43218	TG(15:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,34,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33,35-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,34-32-
HMDB43219	TG(15:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,34,40,43,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,34-32-,43-40-
HMDB43210	TG(15:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,35,38,51H,4-15,17-18,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-,38-35-
HMDB43211	TG(15:0/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,53H,4-15,17-18,21-22,24,27-52H2,1-3H3/b19-16-,23-20-,26-25-
HMDB43212	TG(15:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,34,53H,4-15,17-18,21-22,24,27,30-31,33,35-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,34-32-
HMDB43213	TG(15:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28-29,32,34,40,43,53H,4-15,17-18,21-22,24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,34-32-,43-40-
HMDB43214	TG(15:0/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,49H,4-6,8-9,11-15,17-18,21-22,24,27-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-
HMDB43215	TG(15:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,30,33,49H,4-6,8-9,11-15,17-18,21-22,24,27-29,31-32,34-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,33-30-
HMDB43216	TG(15:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-
HMDB43217	TG(15:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,35,38,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-,38-35-
HMDB47908	TG(14:1(9Z)/16:1(9Z)/14:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C47H84O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14-15,17-19,22,44H,4-13,16,20-21,23-43H2,1-3H3/b17-14-,18-15-,22-19-
HMDB47909	TG(14:1(9Z)/16:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,46H,4-14,16-17,21,24-45H2,1-3H3/b18-15-,22-19-,23-20-
HMDB47900	TG(14:1(9Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14-19,23-24,26-27,29,32,37,40,50H,4-13,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,32-29-,40-37-
HMDB47901	TG(14:1(9Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14-19,23-24,46H,4-6,8-9,11-13,20-22,25-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-
HMDB47902	TG(14:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H82O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,14-19,23-24,28,30,46H,4-6,8-9,11-13,20-22,25-27,29,31-45H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,30-28-
HMDB47903	TG(14:1(9Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,14-19,23-24,26-27,48H,4-6,8-9,11-13,20-22,25,28-47H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-
HMDB47904	TG(14:1(9Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H84O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,14-19,23-24,26-27,32,35,48H,4-6,8-9,11-13,20-22,25,28-31,33-34,36-47H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,35-32-
HMDB47905	TG(14:1(9Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,14-19,23-24,26-27,29,32,50H,4-6,8-9,11-13,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,32-29-
HMDB47906	TG(14:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,14-19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-13,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,32-29-,40-37-
HMDB47907	TG(14:1(9Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H92O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-45-47(54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2/h14-15,17-18,47H,4-13,16,19-46H2,1-3H3/b17-14-,18-15-
HMDB58226	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,65-66,70,85-87,92H,5-8,10-12,14-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-64,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,70-66-/t85?,86-,87-/m1/s1
HMDB51909	TG(22:1(13Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-
HMDB51908	TG(22:1(13Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,63H,4-15,17-18,20-24,27,30-62H2,1-3H3/b19-16-,28-25-,29-26-
HMDB51907	TG(22:1(13Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,61H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-
HMDB51906	TG(22:1(13Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,61H,4-16,18-19,21-24,27,30-34,36-37,39-60H2,1-3H3/b20-17-,28-25-,29-26-,38-35-
HMDB51905	TG(22:1(13Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,60H,4-13,15-16,18-22,24,27,29-59H2,1-3H3/b17-14-,26-23-,28-25-
HMDB51904	TG(22:1(13Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,39,42,59H,4-17,19-20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b21-18-,28-25-,33-27-,42-39-
HMDB51903	TG(22:1(13Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,34,60H,4-19,21-22,24,26-27,30-33,35-59H2,1-3H3/b23-20-,28-25-,34-29-
HMDB51902	TG(22:1(13Z)/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,65H,4-24,27,30-64H2,1-3H3/b28-25-,29-26-
HMDB51901	TG(22:1(13Z)/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-
HMDB51900	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,41,44,50,53,63H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,44-41-,53-50-
HMDB34177	(S)-4-(4-Methylphenyl)-2-pentanone	CC(CC(C)=O)C1=CC=C(C)C=C1	InChI=1S/C12H16O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10H,8H2,1-3H3
HMDB28865	Hydroxyprolyl-Histidine	NC(CC1=CN=CN1)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C11H16N4O4/c12-8(1-6-3-13-5-14-6)10(17)15-4-7(16)2-9(15)11(18)19/h3,5,7-9,16H,1-2,4,12H2,(H,13,14)(H,18,19)
HMDB34175	2-Aminoquinoline	NC1=NC2=C(C=CC=C2)C=C1	InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
HMDB34174	(E)-Urocanic acid	OC(=O)\C=C/C1=CNC=N1	InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-
HMDB34173	Phaseollin	CC1(C)OC2=CC=C3C4COC5=C(C=CC(O)=C5)C4OC3=C2C=C1	InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3
HMDB34172	Methyl 2-hydroxybenzoate	COC(=O)C1=C(O)C=CC=C1	InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
HMDB34171	Benzeneacetonitrile	N#CCC1=CC=CC=C1	InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
HMDB34170	2-Hydroxybenzaldehyde	OC1=C(C=O)C=CC=C1	InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
HMDB28868	Hydroxyprolyl-Lysine	NCCCCC(N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C11H21N3O4/c12-4-2-1-3-8(13)10(16)14-6-7(15)5-9(14)11(17)18/h7-9,15H,1-6,12-13H2,(H,17,18)
HMDB28869	Hydroxyprolyl-Methionine	CSCCC(N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C10H18N2O4S/c1-17-3-2-7(11)9(14)12-5-6(13)4-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)
HMDB34179	Malabaricano	COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC=C(O)C(OC)=C1	InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3
HMDB34178	Guaiacin	COC1=CC2=C(C=C1O)C(C(C)C(C)C2)C1=CC(OC)=C(O)C=C1	InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3
HMDB38847	4',5,7-Trihydroxyflavone; 7-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-b-D-galacturonopyranoside]	CC1OC(OC2C(O)C(O)C(OC2OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O	InChI=1S/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-24-21(34)20(33)23(25(36)37)41-27(24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-35H,1H3,(H,36,37)
HMDB38846	3,4',5,7-Tetrahydroxyflavan; (2R,3R)-form, 3-O-(3,4,5-Trihydroxybenzoyl)	OC1=CC=C(C=C1)[C@H]1OC2=C(C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C2	InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)21-19(9-14-15(25)7-13(24)8-18(14)30-21)31-22(29)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1
HMDB38845	7-Hydroxy-3',4',5,6-tetramethoxyflavone	COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2OC	InChI=1S/C19H18O7/c1-22-13-6-5-10(7-15(13)23-2)14-8-11(20)17-16(26-14)9-12(21)18(24-3)19(17)25-4/h5-9,21H,1-4H3
HMDB38844	Zeanoside B	OCC1OC(OC2=CC=CC3=C2NC(=O)C=C3C(O)=O)C(O)C(O)C1O	InChI=1S/C16H17NO9/c18-5-9-12(20)13(21)14(22)16(26-9)25-8-3-1-2-6-7(15(23)24)4-10(19)17-11(6)8/h1-4,9,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)
HMDB38843	N1-Caffeoyl-N10-feruloylspermidine	COC1=C(O)C=CC(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\C2=CC=C(O)C(O)=C2)=C1	InChI=1S/C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19/h5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)/b11-7+,12-8+
HMDB38842	Longamide	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C	InChI=1S/C30H61NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32)31-28-29(2)3/h29H,4-28H2,1-3H3,(H,31,32)
HMDB38841	2,4-Dodecadienoic acid pyrrolidide	CCCCCCC\C=C\C=C\C(=O)N1CCCC1	InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h8-10,13H,2-7,11-12,14-15H2,1H3/b9-8+,13-10+
HMDB38840	Sarmentine	CCCCC\C=C/C=C/C(=O)N1CCCC1	InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6-,11-8+
HMDB38849	Murrayanine	COC1=CC(C=O)=CC2=C1NC1=C2C=CC=C1	InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3
HMDB38848	Rhoifolin	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3
HMDB36997	beta-Terpinene	CC(C)C1=CCC(=C)CC1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,8H,3-5,7H2,1-2H3
HMDB36996	beta-Terpineol	CC(=C)C1CCC(C)(O)CC1	InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3
HMDB36995	alpha-Terpinene	CC(C)C1=CC=C(C)CC1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
HMDB36994	Terpinolene	CC(C)=C1CCC(C)=CC1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
HMDB36993	gamma-Terpineol	CC(C)=C1CCC(C)(O)CC1	InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3
HMDB36992	1-Cyclopropyl-4-methyl-1,3-cyclohexanediol	CC1CCC(O)(CC1O)C1CC1	InChI=1S/C10H18O2/c1-7-4-5-10(12,6-9(7)11)8-2-3-8/h7-9,11-12H,2-6H2,1H3
HMDB36991	delta-Terpineol	CC(C)(O)C1CCC(=C)CC1	InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h9,11H,1,4-7H2,2-3H3
HMDB36990	2,6-Dimethyl-3,7-octadiene-2,6-diol	CC(C)(O)\C=C\CC(C)(O)C=C	InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+
HMDB46363	TG(22:0/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,36,39,45,48,62H,4-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b29-26-,39-36-,48-45-
HMDB46362	TG(22:0/20:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-
HMDB46361	TG(22:0/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h27,34,60H,4-26,28-33,35-59H2,1-3H3/b34-27-
HMDB46360	TG(22:0/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB33749	Isoliensinine	COC1=CC=C(CC2N(C)CCC3=C2C=C(OC2=CC(CC4N(C)CCC5=C4C=C(O)C(OC)=C5)=CC=C2O)C(OC)=C3)C=C1	InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(44-5)37(22-29(26)30(38)16-23-6-9-27(42-3)10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(43-4)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3
HMDB33748	Umbelliferose	OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2
HMDB36999	Piperitenone	CC(C)=C1CCC(C)=CC1=O	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3
HMDB36998	(S)-Oleuropeic acid	CC(C)(O)C1CCC(=CC1)C(O)=O	InChI=1S/C10H16O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3,8,13H,4-6H2,1-2H3,(H,11,12)
HMDB39466	Hexanethioic acid S-propyl ester	CCCCCC(=O)SCCC	InChI=1S/C9H18OS/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
HMDB39467	Allyl thiohexanoate	CCCCCC(=O)SCC=C	InChI=1S/C9H16OS/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
HMDB39464	(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate	C=CCOS(=O)(=O)OC\C=C\SCC=C	InChI=1S/C9H14O4S2/c1-3-6-12-15(10,11)13-7-5-9-14-8-4-2/h3-5,9H,1-2,6-8H2/b9-5+
HMDB39465	S-Methyl hexanethioate	CCCCCC(=O)SC	InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
HMDB39462	3,4',5,7-Tetrahydroxyflavan(4-&gt;6)-3,3',4',5,7-pentahydroxyflavan; (all-R)-form, 3,3'-Bis(3,4,5-trihydroxybenzoyl)	OC1C(OC2=C(C1C1=C(O)C3=C(OC(C(C3)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C=C3)C=C1O)C(O)=CC(O)=C2)C1=CC=C(O)C=C1	InChI=1S/C44H34O19/c45-20-4-1-16(2-5-20)42-40(57)36(34-24(48)12-21(46)13-32(34)61-42)35-25(49)15-30-22(37(35)54)14-33(63-44(59)19-9-28(52)39(56)29(53)10-19)41(60-30)17-3-6-23(47)31(11-17)62-43(58)18-7-26(50)38(55)27(51)8-18/h1-13,15,33,36,40-42,45-57H,14H2
HMDB39463	(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol	CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C	InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3
HMDB39460	Di-2-propenyl hexasulfide	C=CCSSSSSSCC=C	InChI=1S/C6H10S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-6H2
HMDB39461	7-Methyl-3-octen-2-one	CC(C)CC\C=C\C(C)=O	InChI=1S/C9H16O/c1-8(2)6-4-5-7-9(3)10/h5,7-8H,4,6H2,1-3H3/b7-5+
HMDB34285	12-Tricosanol	CCCCCCCCCCCC(O)CCCCCCCCCCC	InChI=1S/C23H48O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
HMDB34284	Tridecane	CCCCCCCCCCCCC	InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
HMDB34287	(S)-10-Nonacosanol	CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC	InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3
HMDB34286	10-Undecenoic acid, 9CI; Et ester	CCOC(=O)CCCCCCCCC=C	InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3
HMDB34281	Egonol gentiobioside	COC1=CC(CCCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1	InChI=1S/C31H38O15/c1-39-20-8-14(7-16-10-18(44-29(16)20)15-4-5-17-19(9-15)43-13-42-17)3-2-6-40-30-27(37)26(36)24(34)22(46-30)12-41-31-28(38)25(35)23(33)21(11-32)45-31/h4-5,7-10,21-28,30-38H,2-3,6,11-13H2,1H3
HMDB34280	Egonol glucoside	COC1=CC(CCCOC2OC(CO)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1	InChI=1S/C25H28O10/c1-30-19-8-13(3-2-6-31-25-23(29)22(28)21(27)20(11-26)35-25)7-15-10-17(34-24(15)19)14-4-5-16-18(9-14)33-12-32-16/h4-5,7-10,20-23,25-29H,2-3,6,11-12H2,1H3
HMDB39468	S-Methyl 4-methylpentanethioate	CSC(=O)CCC(C)C	InChI=1S/C7H14OS/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
HMDB39469	p-Menth-8-ene-1,2,10-triol; (1S,2S,4R)-form, 2-O-b-D-Glucopyranoside	CC1(O)CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(=C)CO	InChI=1S/C16H28O8/c1-8(6-17)9-3-4-16(2,22)11(5-9)24-15-14(21)13(20)12(19)10(7-18)23-15/h9-15,17-22H,1,3-7H2,2H3
HMDB44291	TG(16:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33-34,36-37,52H,4-15,18,21-24,29-32,35,38-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-,37-34-
HMDB44290	TG(16:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26-29,35,38,53H,4-16,18,21,23-25,30-34,36-37,39-52H2,1-3H3/b20-17-,22-19-,28-26-,29-27-,38-35-
HMDB44293	TG(16:0/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,36,39,54H,4-15,18,21-24,28,31,33-35,37-38,40-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,39-36-
HMDB44292	TG(16:0/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h13,16-17,20,22,25-26,28,35,38,53H,4-12,14-15,18-19,21,23-24,27,29-34,36-37,39-52H2,1-3H3/b16-13-,20-17-,25-22-,28-26-,38-35-
HMDB38599	Acrimarine H	COC1=CC2=C(C=CC(=O)O2)C=C1C(C=C(C)C)C1=C(O)C2=C(C=C1OC)N(C)C1=C(C=CC=C1O)C2=O	InChI=1S/C30H27NO7/c1-15(2)11-19(18-12-16-9-10-25(33)38-22(16)14-23(18)36-4)26-24(37-5)13-20-27(30(26)35)29(34)17-7-6-8-21(32)28(17)31(20)3/h6-14,19,32,35H,1-5H3
HMDB38598	Narceinone	COC1=C(OC)C(C(O)=O)=C(C=C1)C(=O)C(=O)C1=C(CCN(C)C)C=C2OCOC2=C1OC	InChI=1S/C23H25NO9/c1-24(2)9-8-12-10-15-21(33-11-32-15)22(31-5)16(12)19(26)18(25)13-6-7-14(29-3)20(30-4)17(13)23(27)28/h6-7,10H,8-9,11H2,1-5H3,(H,27,28)
HMDB44297	TG(16:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37-38,41,43,46,56H,4-15,18,21-24,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-
HMDB44296	TG(16:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,37-38,41,56H,4-15,18,21-24,28,32-33,35-36,39-40,42-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-
HMDB38595	Alkaloid AQC2	CCC12CNC(=O)C(C1)OC(=O)CC1=C(CC2)NC2=C1C=CC=C2	InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23)
HMDB38594	Calystegine B2	OC1C2CCC(O)(N2)C(O)C1O	InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2
HMDB38597	Nepetalactam	CC1CCC2C1C(=O)NC=C2C	InChI=1S/C10H15NO/c1-6-3-4-8-7(2)5-11-10(12)9(6)8/h5-6,8-9H,3-4H2,1-2H3,(H,11,12)
HMDB38596	2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam	CC1CCC2C1C(=O)OC(C2C)N1C=C(C)C2CCC(C)C2C1=O	InChI=1S/C20H29NO3/c1-10-5-7-14-12(3)9-21(18(22)16(10)14)19-13(4)15-8-6-11(2)17(15)20(23)24-19/h9-11,13-17,19H,5-8H2,1-4H3
HMDB38591	Brassicanal A	SC1=C(C=O)C2=C(N1)C=CC=C2	InChI=1S/C9H7NOS/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-5,10,12H
HMDB38590	Buntanine	COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=C(CC=C(C)C)C(O)=C1)C2=O	InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3
HMDB38593	Calystegin A3	OC1CC2CCC(O)(N2)C1O	InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2
HMDB38592	Brassicanal B	CC1(O)CSC2=C(C=O)C3=C(C=CC=C3)N12	InChI=1S/C12H11NO2S/c1-12(15)7-16-11-9(6-14)8-4-2-3-5-10(8)13(11)12/h2-6,15H,7H2,1H3
HMDB42622	TG(14:0/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,33-35,37,56H,4-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-
HMDB42623	TG(14:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,33-35,37,43,46,56H,4-15,18,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-
HMDB42620	TG(14:0/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,38,41,54H,4-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB42621	TG(14:0/20:3n6/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,33,35,56H,4-15,18,21-23,28-32,34,36-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,35-33-
HMDB42626	TG(14:0/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,54H,4-6,8-9,11-15,18,21-23,28-29,34-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB42627	TG(14:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,38,41,54H,4-6,8-9,11-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB42624	TG(14:0/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,52H,4-7,9-10,12-15,18,21-23,27,30,32-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-
HMDB42625	TG(14:0/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,36,52H,4-7,9-10,12-15,18,21-23,27,30,32,34-35,37-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-
HMDB42628	TG(14:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-
HMDB42629	TG(14:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,43,46,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-
HMDB42998	TG(15:0/15:0/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h25-26,48H,4-24,27-47H2,1-3H3/b26-25-
HMDB42999	TG(15:0/15:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-
HMDB42990	TG(15:0/15:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
HMDB42991	TG(15:0/15:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
HMDB42992	TG(15:0/15:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB42993	TG(15:0/15:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB42994	TG(15:0/15:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-35-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB42995	TG(15:0/15:0/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-
HMDB42996	TG(15:0/15:0/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-
HMDB42997	TG(15:0/15:0/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-
HMDB37486	5,7-Dihydroxy-4'-methoxyflavanone; (S)-form, 7-O-b-D-Xylopyranoside	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OCC(O)C(O)C1O)C=C2O	InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3
HMDB37487	Poncirin	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C=C2O	InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3
HMDB37484	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-O-b-D-Glucopyranoside	OCC1OC(OC2=CC(O)=C(C(=O)CCC3=CC=CC=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-12-8-14(24)17(15(25)9-12)13(23)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-22,24-28H,6-7,10H2
HMDB37485	Stercurensin	COC1=CC(O)=C(C)C(O)=C1C(=O)\C=C\C1=CC=CC=C1	InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
HMDB37482	Persiconin	COC1=CC2=C(C(=O)CC(O2)C2=CC=C(OC)C(O)=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3
HMDB37483	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-b-D-Glucopyranoside	OCC1OC(OC2=C(C(=O)CCC3=CC=CC=C3)C(O)=CC(O)=C2)C(O)C(O)C1O	InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-9-12(23)8-14(25)17(15)13(24)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-23,25-28H,6-7,10H2
HMDB37480	Eriodictin	CC1OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C(O)=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H22O10/c1-8-18(26)19(27)20(28)21(29-8)30-10-5-13(24)17-14(25)7-15(31-16(17)6-10)9-2-3-11(22)12(23)4-9/h2-6,8,15,18-24,26-28H,7H2,1H3
HMDB37481	3',5-Dihydroxy-4',7-dimethoxyflavanone	COC1=CC2=C(C(=O)CC(O2)C2=CC=C(OC)C(O)=C2)C(O)=C1	InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3
HMDB37488	Albanin A	CC(C)=CCC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1O	InChI=1S/C20H18O6/c1-10(2)3-5-14-19(25)18-16(24)8-12(22)9-17(18)26-20(14)13-6-4-11(21)7-15(13)23/h3-4,6-9,21-24H,5H2,1-2H3
HMDB37489	Dihydrowogonin	COC1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=CC=C1	InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3
HMDB32248	11-Dodecenoic acid	OC(=O)CCCCCCCCCC=C	InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2,(H,13,14)
HMDB39034	Casegravol isovalerate	COC1=C(\C=C\C(C)(O)COC(=O)CC(C)C)C2=C(C=CC(=O)O2)C=C1	InChI=1S/C20H24O6/c1-13(2)11-18(22)25-12-20(3,23)10-9-15-16(24-4)7-5-14-6-8-17(21)26-19(14)15/h5-10,13,23H,11-12H2,1-4H3/b10-9+
HMDB39037	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; (2S,3R)-form, 1'-O-b-D-Glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1OC2=CC3=C(C=CC(=O)O3)C=C2C1O	InChI=1S/C20H24O10/c1-20(2,30-19-17(26)16(25)15(24)12(7-21)29-19)18-14(23)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3
HMDB38339	alpha-Methoxy-1H-indole-3-propanoic acid	COC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C12H13NO3/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15)
HMDB38338	alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid	CN1C=C(CC(O)C(O)=O)C2=CC=CC=C12	InChI=1S/C12H13NO3/c1-13-7-8(6-11(14)12(15)16)9-4-2-3-5-10(9)13/h2-5,7,11,14H,6H2,1H3,(H,15,16)
HMDB38331	3-Hydroxybenzyl alcohol; a-O-b-D-Glucopyranoside	OCC1OC(OCC2=CC(O)=CC=C2)C(O)C(O)C1O	InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-2-1-3-8(15)4-7/h1-4,9-18H,5-6H2
HMDB38330	2,6-Dihydroxybenzoic acid, 9CI; Benzyl ester, 2-O-b-D-glucopyranoside	OCC1OC(OC2=C(C(=O)OCC3=CC=CC=C3)C(O)=CC=C2)C(O)C(O)C1O	InChI=1S/C20H22O9/c21-9-14-16(23)17(24)18(25)20(29-14)28-13-8-4-7-12(22)15(13)19(26)27-10-11-5-2-1-3-6-11/h1-8,14,16-18,20-25H,9-10H2
HMDB38333	2-Hydroxyphenylacetic acid; O-b-D-Glucopyranoside	OCC1OC(OC2=C(CC(O)=O)C=CC=C2)C(O)C(O)C1O	InChI=1S/C14H18O8/c15-6-9-11(18)12(19)13(20)14(22-9)21-8-4-2-1-3-7(8)5-10(16)17/h1-4,9,11-15,18-20H,5-6H2,(H,16,17)
HMDB38332	2-(3-Hydroxyphenyl)ethanol; 1'-O-b-D-Glucopyranoside	OCC1OC(OCCC2=CC(O)=CC=C2)C(O)C(O)C1O	InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-5-4-8-2-1-3-9(16)6-8/h1-3,6,10-19H,4-5,7H2
HMDB38335	(S)-Mandelic acid O-beta-D-Glucopyranoside	OCC1OC(OC(C(O)=O)C2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)
HMDB38334	Dihydromelilotoside	OCC1OC(OC2=C(CCC(O)=O)C=CC=C2)C(O)C(O)C1O	InChI=1S/C15H20O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-4,10,12-16,19-21H,5-7H2,(H,17,18)
HMDB38337	Helianyl octanoate	CCCCCCCC(=O)OCCCC1C(CCC2C3(C)CCC(C(C)CCC=C(C)C)C3(C)CCC12C)=C(C)C	InChI=1S/C38H66O2/c1-10-11-12-13-14-20-35(39)40-27-16-19-33-31(29(4)5)21-22-34-36(33,7)25-26-37(8)32(23-24-38(34,37)9)30(6)18-15-17-28(2)3/h17,30,32-34H,10-16,18-27H2,1-9H3
HMDB38336	2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide	NC(=O)C(O)CC1=CC(O)=C(O)C=C1	InChI=1S/C9H11NO4/c10-9(14)8(13)4-5-1-2-6(11)7(12)3-5/h1-3,8,11-13H,4H2,(H2,10,14)
HMDB30108	Cudraflavone A	CC(C)=CC1OC2=C(C=CC(O)=C2)C2=C1C(=O)C1=C(O2)C=C2OC(C)(C)C=CC2=C1O	InChI=1S/C25H22O6/c1-12(2)9-18-21-23(28)20-19(11-17-14(22(20)27)7-8-25(3,4)31-17)30-24(21)15-6-5-13(26)10-16(15)29-18/h5-11,18,26-27H,1-4H3
HMDB30109	Albanol B	CC1=CC2=C3C(=C1)C1=C(OC3(OC3=C2C(O)=CC(=C3)C2=CC3=C(O2)C=C(O)C=C3)C2=C(O)C=C(O)C=C2)C=C(O)C=C1	InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3
HMDB37738	2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one	CC(C(=O)C=C(C)C)C1=CC=C(C)C(O)=C1	InChI=1S/C14H18O2/c1-9(2)7-14(16)11(4)12-6-5-10(3)13(15)8-12/h5-8,11,15H,1-4H3
HMDB37739	7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one	CC(CC1=CC=CCC1)C(O)C(=O)C=C(C)C	InChI=1S/C15H22O2/c1-11(2)9-14(16)15(17)12(3)10-13-7-5-4-6-8-13/h4-5,7,9,12,15,17H,6,8,10H2,1-3H3
HMDB30102	Hulupinic acid	CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=C(O)C1=O	InChI=1S/C15H20O4/c1-9(2)5-7-15(8-6-10(3)4)13(18)11(16)12(17)14(15)19/h5-6,16-17H,7-8H2,1-4H3
HMDB30103	Hulupone	CC(C)CC(=O)C1=C(O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	InChI=1S/C20H28O4/c1-12(2)7-9-20(10-8-13(3)4)18(23)16(17(22)19(20)24)15(21)11-14(5)6/h7-8,14,22H,9-11H2,1-6H3
HMDB30100	(8'R)-Neochrome	C[C@@H]1C[C@@]2(C)O[C@H](C=C2C(C)(C)C1)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C=[C@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O	InChI=1S/C41H58O3/c1-29(18-14-19-31(3)22-23-36-39(8,9)27-34(42)28-40(36,10)43)16-12-13-17-30(2)20-15-21-33(5)35-24-37-38(6,7)25-32(4)26-41(37,11)44-35/h12-22,24,32,34-35,42-43H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,33-21+/t23?,32-,34-,35+,40+,41+/m0/s1
HMDB30101	Methyl [8]-Shogaol	CCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(OC)C=C1	InChI=1S/C20H30O3/c1-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22-2)20(16-17)23-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3/b11-10+
HMDB30106	Neosilyhermin A	COC1=CC(=CC=C1O)C1OC2=C(C1CO)C(=CC=C2O)C1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C25H22O9/c1-32-20-6-11(2-4-15(20)28)24-14(10-26)22-13(3-5-16(29)25(22)34-24)19-9-18(31)23-17(30)7-12(27)8-21(23)33-19/h2-8,14,19,24,26-30H,9-10H2,1H3
HMDB30107	3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione	CC(C)CC(=O)C1=C(O)C(O)(C(=O)CC(O)C(C)(C)O)C(=O)C1=O	InChI=1S/C16H22O8/c1-7(2)5-8(17)11-12(20)14(22)16(24,13(11)21)10(19)6-9(18)15(3,4)23/h7,9,18,21,23-24H,5-6H2,1-4H3
HMDB30104	Humulinic acid A	CC(C)CC(=O)C1=C(O)C(O)C(CC=C(C)C)C1=O	InChI=1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9-10,14,18-19H,6-7H2,1-4H3
HMDB30105	Humulinone	CC(C)CC(=O)C1=C(O)C(O)(C(=O)CC=C(C)C)C(O)(CC=C(C)C)C1=O	InChI=1S/C21H30O6/c1-12(2)7-8-16(23)21(27)19(25)17(15(22)11-14(5)6)18(24)20(21,26)10-9-13(3)4/h7,9,14,25-27H,8,10-11H2,1-6H3
HMDB47447	TG(24:0/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,38,41-42,45,62H,4-16,19,22-25,28,30-35,37,39-40,43-44,46-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,41-38-,45-42-
HMDB47446	TG(24:0/20:3n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,37,39,42,63H,4-16,18-19,22-23,25,27-28,31-36,38,40-41,43-62H2,1-3H3/b20-17-,24-21-,29-26-,37-30-,42-39-
HMDB47449	TG(24:0/20:3n6/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,40-41,43,64H,4-16,19,22-25,28,31-37,39,42,44-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,43-40-
HMDB47448	TG(24:0/20:3n6/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,39,42,63H,4-14,16,19,21-23,25,28,30-38,40-41,43-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,42-39-
HMDB08279	PC(20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,33,35,46H,6-14,16,18-20,22,24-26,28,30-32,34,36-45H2,1-5H3/b17-15-,23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08278	PC(20:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,46H,6-14,16,18-20,22,24-26,28,30-45H2,1-5H3/b17-15-,23-21-,29-27-/t46-/m1/s1
HMDB08273	PC(20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,29,31,44H,6-8,10,12-14,16,18-20,22-23,25-28,30,32-43H2,1-5H3/b11-9-,17-15-,24-21-,31-29-/t44-/m1/s1
HMDB08272	PC(20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,44H,6-8,10,12-14,16,18-20,22-23,25-43H2,1-5H3/b11-9-,17-15-,24-21-/t44-/m1/s1
HMDB08271	PC(20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,29,31,44H,6-14,16,18-20,22-23,25-28,30,32-43H2,1-5H3/b17-15-,24-21-,31-29-/t44-/m1/s1
HMDB08270	PC(20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,44H,6-14,16,18-20,22-23,25-43H2,1-5H3/b17-15-,24-21-/t44-/m1/s1
HMDB08277	PC(20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,27,29,33,35,46H,6-20,22,24-26,28,30-32,34,36-45H2,1-5H3/b23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08276	PC(20:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,46H,6-14,16,18-20,22,24-45H2,1-5H3/b17-15-,23-21-/t46-/m1/s1
HMDB08275	PC(20:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,46H,6-20,22,24-45H2,1-5H3/b23-21-/t46-/m1/s1
HMDB08274	PC(20:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1
HMDB43918	TG(16:0/18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-
HMDB36469	3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene	C\C1=C\CC(C)(C)C2SC2C\C(C)=C/CC1	InChI=1S/C15H24S/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7-
HMDB36468	1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene	C\C1=C\CC(C)(C)C=CCC2(C)SC2CC1	InChI=1S/C15H24S/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5?,12-8-
HMDB36467	alpha-Humulene	C\C1=C\CC(C)(C)C=CC\C(C)=C/CC1	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6?,13-7-,14-10-
HMDB36466	Zerumbone oxide	C\C1=C\CCC2(C)OC2CC(C)(C)\C=C\C1=O	InChI=1S/C15H22O2/c1-11-6-5-8-15(4)13(17-15)10-14(2,3)9-7-12(11)16/h6-7,9,13H,5,8,10H2,1-4H3/b9-7+,11-6-
HMDB36463	1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[2-methoxy-4-(1-propenyl)phenoxy]-1-propanol	COC1=CC(=CC(OC)=C1O)C(O)C(C)OC1=C(OC)C=C(\C=C/C)C=C1	InChI=1S/C21H26O6/c1-6-7-14-8-9-16(17(10-14)24-3)27-13(2)20(22)15-11-18(25-4)21(23)19(12-15)26-5/h6-13,20,22-23H,1-5H3/b7-6-
HMDB36462	Virolongin B	COC1=CC(CC(C)OC2=C(OC)C=C(CC=C)C=C2OC)=CC(OC)=C1OC	InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8,11-15H,1,9-10H2,2-7H3
HMDB36461	Geosmin	CC1CCCC2(C)CCCCC12O	InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3
HMDB36460	Safynol	C\C=C/C#CC#CC#C\C=C\C(O)CO	InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2-,11-10+
HMDB58500	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-38,40-44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34,39,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB13711	Lanthanum	<smiles/>	InChI=1S/3CH2O3.2La.H2O/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;1H2/q;;;2*+3;/p-6
HMDB58502	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58503	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-38,41-46,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58504	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58505	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,48-45-/t77?,78-,79-/m1/s1
HMDB13716	Norvaline	CCC[C@@H](N)C(O)=O	InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
HMDB58507	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-/t77?,78-,79-/m1/s1
HMDB58508	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-35,37,39-42,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,36,38,43-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,42-35-,50-46-/t79?,80-,81-/m1/s1
HMDB58509	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-37,39-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,38,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB15385	Lisdexamfetamine	C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN	InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1
HMDB15384	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
HMDB15387	Aliskiren	COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1	InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
HMDB15386	Retapamulin	C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSC1C[C@@H]2CC[C@H](C1)N2C	InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1
HMDB15381	Gliquidone	COC1=CC2=C(C=C1)C(C)(C)C(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1)C2=O	InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)
HMDB15380	Olsalazine	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O	InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+
HMDB15383	Ergonovine	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO	InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1
HMDB15382	Mitiglinide	OC(=O)C(CC(=O)N1CC2CCCCC2C1)CC1=CC=CC=C1	InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)
HMDB15389	Desonide	[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO	InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
HMDB15388	Lapatinib	CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1	InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
HMDB34908	Zinc oxide	[O--].[Zn++]	InChI=1S/O.Zn/q-2;+2
HMDB34909	7-Methyl-1,4,5-naphthalenetriol; 4-O-[b-D-Xylopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1=CC2=C(C(O)=C1)C(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)=CC=C2O	InChI=1S/C22H28O12/c1-8-4-9-10(23)2-3-13(15(9)11(24)5-8)33-22-20(30)18(28)17(27)14(34-22)7-32-21-19(29)16(26)12(25)6-31-21/h2-5,12,14,16-30H,6-7H2,1H3
HMDB46785	TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,33,35,41,44,62H,4-16,18-19,22-23,25,27-28,30-32,34,36-40,42-43,45-61H2,1-3H3/b20-17-,24-21-,29-26-,35-33-,44-41-
HMDB46784	TG(22:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,32,34,39,42,60H,4-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-59H2,1-3H3/b20-17-,24-21-,28-26-,34-32-,42-39-
HMDB29689	2-Naphthalenethiol	SC1=CC2=C(C=CC=C2)C=C1	InChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
HMDB29688	2-Ethoxynaphthalene	CCOC1=CC2=C(C=CC=C2)C=C1	InChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
HMDB29687	3,6-Dimethoxy-4-phenanthrenol	COC1=CC2=C(C=C1)C=CC1=C2C(O)=C(OC)C=C1	InChI=1S/C16H14O3/c1-18-12-7-5-10-3-4-11-6-8-14(19-2)16(17)15(11)13(10)9-12/h3-9,17H,1-2H3
HMDB29686	4-Methoxybenzaldehyde	COC1=CC=C(C=O)C=C1	InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
HMDB29685	4-Ethoxy-3-methoxybenzaldehyde	CCOC1=CC=C(C=O)C=C1OC	InChI=1S/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3
HMDB29684	Melizame	OC1=CC=CC(OC2=NN=NN2)=C1	InChI=1S/C7H6N4O2/c12-5-2-1-3-6(4-5)13-7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
HMDB29683	2-Hydroxy-6-pentadecylbenzoic acid	CCCCCCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O	InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
HMDB29682	Cyclovariegatin	OC1=CC=C(C=C1O)C1=C(O)C(=O)C2=C(OC3=C2C=C(O)C(O)=C3)C1=O	InChI=1S/C18H10O8/c19-8-2-1-6(3-9(8)20)13-15(23)16(24)14-7-4-10(21)11(22)5-12(7)26-18(14)17(13)25/h1-5,19-23H
HMDB29681	3-O-p-Coumaroylquinic acid	OC1CC(O)(CC(OC(=O)\C=C/C2=CC=C(O)C=C2)C1O)C(O)=O	InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3-
HMDB29680	2,6-Dimethoxy-4-methylphenol	COC1=CC(C)=CC(OC)=C1O	InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
HMDB43867	TG(16:0/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h25-26,28,30,35,38,51H,4-24,27,29,31-34,36-37,39-50H2,1-3H3/b26-25-,30-28-,38-35-
HMDB15659	Propylhexedrine	CNC(C)CC1CCCCC1	InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
HMDB15658	Norelgestromin	CCC12CCC3C(CCC4=CC(CCC34)=NO)C1CCC2(O)C#C	InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15-
HMDB43866	TG(16:0/15:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h25-26,51H,4-24,27-50H2,1-3H3/b26-25-
HMDB15653	Lumefantrine	[H]OC([H])(C1=C2C(=C([H])C(Cl)=C1[H])\C(=C(\[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C2C([H])=C([H])C(Cl)=C1[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-
HMDB15652	Levonordefrin	C[C@H](N)[C@H](O)C1=CC(O)=C(O)C=C1	InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1
HMDB15651	Isometheptene	CNC(C)CCC=C(C)C	InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3
HMDB15650	Gadofosveset trisodium	O.[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC(COP([O-])(=O)OC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)N(CC([O-])=O)CC([O-])=O	InChI=1S/C33H44N3O14P.Gd.3Na.H2O/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;;1H2/q;+3;3*+1;/p-6
HMDB15657	Nilvadipine	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N	InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
HMDB15656	Naphazoline	C(C1=NCCN1)C1=CC=CC2=CC=CC=C12	InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
HMDB15655	Methyltestosterone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
HMDB15654	Methacholine	CC(C[N+](C)(C)C)OC(C)=O	InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
HMDB43864	TG(16:0/15:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h19,22,49H,4-18,20-21,23-48H2,1-3H3/b22-19-
HMDB43863	TG(16:0/15:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-
HMDB43862	TG(16:0/15:0/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,45H,4-14,16-17,19-44H2,1-3H3/b18-15-
HMDB12393	PS(18:1(9Z)/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,40-41H,3-10,12,14-16,20,23,25-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,21-18-,24-22-/t40-,41+/m1/s1
HMDB12392	PS(18:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,38-39H,3-5,7,9-11,13,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b8-6-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
HMDB12391	PS(18:1(9Z)/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,38-39H,3-11,13,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b14-12-,19-17-,20-18-/t38-,39+/m1/s1
HMDB12390	PS(18:1(9Z)/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1
HMDB12397	PS(18:2(9Z,12Z)/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C38H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13,16-17,34-35H,3-9,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b12-10-,13-11-,17-16-/t34-,35+/m1/s1
HMDB12396	PS(18:2(9Z,12Z)/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,34-35H,3-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b13-11-,17-16-/t34-,35+/m1/s1
HMDB12395	PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C46H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,42-43H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t42-,43+/m1/s1
HMDB12394	PS(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,40-41H,3-10,12,14-16,20,23,25-27,29,31-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,21-18-,24-22-,30-28-/t40-,41+/m1/s1
HMDB46789	TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,45,48,66H,4-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b21-18-,28-25-,30-27-,39-36-,48-45-
HMDB12399	PS(18:2(9Z,12Z)/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,36-37H,3-10,12,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,16-14-,18-17-/t36-,37+/m1/s1
HMDB12398	PS(18:2(9Z,12Z)/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37H,3-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,18-17-/t36-,37+/m1/s1
HMDB46788	TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-16,18-19,21-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b20-17-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB29355	N-Phenylacetylaspartic acid	OC(=O)CC(NC(=O)CC1=CC=CC=C1)C(O)=O	InChI=1S/C12H13NO5/c14-10(6-8-4-2-1-3-5-8)13-9(12(17)18)7-11(15)16/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)
HMDB29354	4-Hydroxy-2-pyrrolidinecarboxylic acid; (2S,4R)-form, O-b-D-Galactopyranoside	OCC1OC(OC2CNC(C2)C(O)=O)C(O)C(O)C1O	InChI=1S/C11H19NO8/c13-3-6-7(14)8(15)9(16)11(20-6)19-4-1-5(10(17)18)12-2-4/h4-9,11-16H,1-3H2,(H,17,18)
HMDB29357	Betavulgaroside I	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H70O20/c1-41(2)14-16-46(39(59)66-36-30(53)29(52)28(51)23(19-48)62-36)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)63-37-31(54)32-33(34(64-37)35(55)56)67-47(60,38(57)58)40(65-32)61-20-27(49)50/h8,22-26,28-34,36-37,40,48,51-54,60H,9-20H2,1-7H3,(H,49,50)(H,55,56)(H,57,58)
HMDB29356	N-Feruloylglycyl-L-phenylalanine	COC1=CC(\C=C\C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(O)=O)=CC=C1O	InChI=1S/C21H22N2O6/c1-29-18-12-15(7-9-17(18)24)8-10-19(25)22-13-20(26)23-16(21(27)28)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,22,25)(H,23,26)(H,27,28)/b10-8+
HMDB29351	Geranyl hexanoate	CCCCCC(=O)OC\C=C(\C)CCC=C(C)C	InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12-
HMDB29350	Geranyl 3-methylbutanoate	CC(C)CC(=O)OC\C=C(\C)CCC=C(C)C	InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
HMDB29353	4-Hydroxy-2-pyrrolidinecarboxylic acid; (2S,4R)-form, b-D-Galactopyranosyl ester	OCC1OC(OC(=O)C2CC(O)CN2)C(O)C(O)C1O	InChI=1S/C11H19NO8/c13-3-6-7(15)8(16)9(17)11(19-6)20-10(18)5-1-4(14)2-12-5/h4-9,11-17H,1-3H2
HMDB29352	Gazer	C\C(COC1OC(CO)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C1O)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O	InChI=1S/C43H67N5O28/c1-13(2-3-44-36-20-37(46-11-45-36)48(12-47-20)38-27(61)24(58)15(4-49)68-38)9-66-40-31(65)34(33(19(8-53)71-40)74-39-28(62)21(55)14(54)10-67-39)75-42-30(64)32(18(7-52)72-42)73-43-35(26(60)23(57)17(6-51)70-43)76-41-29(63)25(59)22(56)16(5-50)69-41/h2,11-12,14-19,21-35,38-43,49-65H,3-10H2,1H3,(H,44,45,46)/b13-2+
HMDB53679	TG(20:3n6/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,58H,4-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-
HMDB53678	TG(20:3n6/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,39,42,56H,4-15,18,21-24,29-30,33,36-38,40-41,43-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-
HMDB29359	(R)-1,3-Octanediol	CCCCCC(O)CCO	InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3
HMDB29358	5-Octen-1-ol, 9CI; (Z)-form, Ac	CC\C=C/CCCCOC(C)=O	InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h4-5H,3,6-9H2,1-2H3/b5-4-
HMDB43816	TG(15:0/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,52H,4-16,18-19,21-25,27,29-32,34-35,37-51H2,1-3H3/b20-17-,28-26-,36-33-
HMDB43869	TG(16:0/15:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-23-20-17-14-11-8-5-2/h25-26,55H,4-24,27-54H2,1-3H3/b26-25-
HMDB43868	TG(16:0/15:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h25-26,53H,4-24,27-52H2,1-3H3/b26-25-
HMDB43817	TG(15:0/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-24-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,53H,4-12,14-15,17-21,23-24,26-52H2,1-3H3/b16-13-,25-22-
HMDB00817	Orinapterin	C[C@H](O)[C@@H](O)C1=NC2=C(NC(N)=NC2=O)N=C1	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6+/m0/s1
HMDB00816	Phosphoglycolic acid	OC(=O)COP(O)(O)=O	InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
HMDB00815	Pseudouroporphyrin	CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CC(O)=O)=C3CCC(O)=O)=C1CCC(O)=O	InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,40,43H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15-
HMDB00814	N-Acetylglucosamine 6-sulfate	CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
HMDB00812	N-Acetyl-L-aspartic acid	CC(=O)N[C@@H](CC(O)=O)C(O)=O	InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
HMDB00811	Murocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1
HMDB00810	Dimethylprotoporphyrin IX dimethyl ester	COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(=O)OC)=C5C)C(C)=C4C=C)C(C)=C3C=C)=C1C	InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37,40H,1-2,11-14H2,3-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
HMDB00819	Normetanephrine	COC1=CC(=CC=C1O)C(O)CN	InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3
HMDB52521	TG(18:2(9Z,12Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,32,57H,4-15,17-18,22,26,29-31,33-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,32-28-
HMDB14529	Valrubicin	CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C2=C(C1)C(O)=C1C(=O)C3=C(C(=O)C1=C2O)C(OC)=CC=C3	InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14?,17?,19-,22?,27?,33-/m0/s1
HMDB14522	Dydrogesterone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C	InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
HMDB14523	Mexiletine	CC(N)COC1=C(C)C=CC=C1C	InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
HMDB14520	Trihexyphenidyl	OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1	InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
HMDB14521	Palonosetron	[H][C@@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@@H]1CN2CCC1CC2	InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17+/m0/s1
HMDB14526	Tacrine	NC1=C2CCCCC2=NC2=CC=CC=C12	InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
HMDB14527	Oxyphencyclimine	CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1	InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
HMDB14524	Dexrazoxane	C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1	InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1
HMDB45788	TG(20:0/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,59H,4-25,27-28,30-58H2,1-3H3/b29-26-
HMDB45789	TG(20:0/20:3(5Z,8Z,11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,36,39,45,48,60H,4-26,28-29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b30-27-,39-36-,48-45-
HMDB06318	Gamma-linolenyl carnitine	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h9-10,12-13,15-16,23H,5-8,11,14,17-22H2,1-4H3/b10-9-,13-12-,16-15-/t23-/m0/s1
HMDB06319	Alpha-linolenyl carnitine	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/m0/s1
HMDB06316	Cob(II)alamin	C[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)C3N4C2=C(C)C2=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co+3]457[N]3=CN([C@H]4O[C@H](CO)[C@@H](OP(O)(=O)O1)[C@H]4O)C1=C3C=C(C)C(C)=C1)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O	InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;/m1./s1
HMDB06317	trans-Hexadec-2-enoyl carnitine	CCCCCCCCCCCCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h17-18,21H,5-16,19-20H2,1-4H3/b18-17+
HMDB52102	TG(24:1(15Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-
HMDB52103	TG(24:1(15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB52100	TG(24:1(15Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,43,46,66H,4-16,18-19,21-24,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,46-43-
HMDB52101	TG(24:1(15Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,43,46,52,55,66H,4-16,18-19,21-24,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,46-43-,55-52-
HMDB52106	TG(24:1(15Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,46-43-
HMDB52107	TG(24:1(15Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,43,46,52,55,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,46-43-,55-52-
HMDB52104	TG(24:1(15Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,38,41,64H,4-7,9-10,12-16,18-19,21-24,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-
HMDB52105	TG(24:1(15Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB52108	TG(24:1(15Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-
HMDB52109	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,44,47,53,56,68H,4-24,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b28-25-,29-26-,30-27-,47-44-,56-53-
HMDB55738	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,38,41-42,45,47,50,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB55739	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB47199	TG(24:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-
HMDB45784	TG(20:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,60H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-
HMDB45785	TG(20:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,46-43-
HMDB59106	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,46,48-50,52,54,57,60-62,64,66,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB59105	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)78-98-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43-44,46,48-50,52,55,58-60,62,64,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,45,47,51,53-54,56-57,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB59104	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,46,48-50,52,54,57,60-62,64,66,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB59103	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)78-98-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43-44,46,48-50,52,55,58-60,62,64,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,45,47,51,53-54,56-57,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB59102	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65,67-68,72,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,66,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,72-68-/t87?,88-,89-/m1/s1
HMDB59101	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65,67,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,66,68-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-/t87?,88-,89-/m1/s1
HMDB59100	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65,67-68,72,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,50,52,57,59,62,64,66,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,72-68-/t87?,88-,89-/m1/s1
HMDB51878	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,33,35-36,41-42,44-45,62H,4-7,10,13-16,19,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB07041	DG(14:1(9Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C33H60O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12-13,15,31,34H,3-9,11,14,16-30H2,1-2H3/b12-10-,15-13-/t31-/m0/s1
HMDB07040	DG(14:1(9Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12,31,34H,3-9,11,13-30H2,1-2H3/b12-10-/t31-/m0/s1
HMDB07043	DG(14:1(9Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12-13,15,33,36H,3-9,11,14,16-32H2,1-2H3/b12-10-,15-13-/t33-/m0/s1
HMDB07042	DG(14:1(9Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,33,36H,3-9,11,13-32H2,1-2H3/b12-10-/t33-/m0/s1
HMDB07045	DG(14:1(9Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,33,36H,3-9,14-15,18-32H2,1-2H3/b12-10-,13-11-,17-16-/t33-/m0/s1
HMDB07044	DG(14:1(9Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,16-17,33,36H,3-9,11,13-15,18-32H2,1-2H3/b12-10-,17-16-/t33-/m0/s1
HMDB07047	DG(14:1(9Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,33,36H,3-4,6,8-9,14-15,18-32H2,1-2H3/b7-5-,12-10-,13-11-,17-16-/t33-/m0/s1
HMDB07046	DG(14:1(9Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,20,22,33,36H,3-9,14-15,18-19,21,23-32H2,1-2H3/b12-10-,13-11-,17-16-,22-20-/t33-/m0/s1
HMDB07049	DG(14:1(9Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,35,38H,3-9,11,13-34H2,1-2H3/b12-10-/t35-/m0/s1
HMDB07048	DG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C35H58O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,20,22,33,36H,3-4,6,8-9,14-15,18-19,21,23-32H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,22-20-/t33-/m0/s1
HMDB10539	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,41-42,44-45,58H,4-6,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB10538	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,9,12-15,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m1/s1
HMDB04224	N-(o)-Hydroxyarginine	NC(CCC\N=C(/N)NO)C(O)=O	InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)
HMDB04225	2-Oxoarginine	NC(N)=NCCCC(=O)C(O)=O	InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
HMDB04226	N4-Acetylaminobutanal	CC(=O)NCCCC=O	InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)
HMDB54464	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,36,39,45,48,60H,4-8,10-11,13-15,17,20,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB04220	Biotinyl-5'-AMP	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O	InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9?,10-,11+,13?,15-,16-,19-/m1/s1
HMDB51871	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,34,36,42,45,63H,4-7,9-10,12-14,16,19,21-23,30-33,35,37-41,43-44,46-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,36-34-,45-42-
HMDB54461	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,40,43,49,52,64H,4-15,18,21-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB54460	TG(22:2(13Z,16Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,61H,4-15,17-18,20-24,27,30-60H2,1-3H3/b19-16-,28-25-,29-26-
HMDB51870	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,33,35-36,41-42,44-45,62H,4-7,9-10,12-16,19,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB54469	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB54468	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB48747	TG(16:1(9Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,30-31,33,39,42,55H,4-19,22,26,29,32,34-38,40-41,43-54H2,1-3H3/b23-20-,24-21-,27-25-,30-28-,33-31-,42-39-
HMDB58978	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61,64,68,83-85,90H,5-8,10-12,14-20,24,28-32,39-40,43,47-49,53,55,58-60,62-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,68-64-/t83?,84-,85-/m1/s1
HMDB48745	TG(16:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,26-29,53H,4-18,20,23,25,30-52H2,1-3H3/b22-19-,24-21-,28-26-,29-27-
HMDB48744	TG(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19-24,27,29,53H,4-18,25-26,28,30-52H2,1-3H3/b22-19-,23-20-,24-21-,29-27-
HMDB48743	TG(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h19-24,26-27,51H,4-18,25,28-50H2,1-3H3/b22-19-,23-20-,24-21-,27-26-
HMDB43638	TG(15:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-31,37,40,53H,4-7,9-10,12-16,18-19,21-24,28,32-36,38-39,41-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,31-30-,40-37-
HMDB48741	TG(16:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,43-40-,52-49-
HMDB48740	TG(16:1(9Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,35,40,43,62H,4-7,9-10,12-16,18-19,22-23,29-32,34,36-39,41-42,44-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,35-33-,43-40-
HMDB56915	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB56914	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,11-12,15-20,23-24,27,29-31,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56917	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB43639	TG(15:0/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-
HMDB56911	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-54,56-58,65-66,69-70,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,55,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB56910	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-54,56-58,65,69,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,55,59-64,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-/t85?,86-,87-/m1/s1
HMDB48749	TG(16:1(9Z)/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,34,59H,4-19,22,26,29-33,35-58H2,1-3H3/b23-20-,24-21-,27-25-,34-28-
HMDB48748	TG(16:1(9Z)/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,32,57H,4-19,22,26,29-31,33-56H2,1-3H3/b23-20-,24-21-,27-25-,32-28-
HMDB43636	TG(15:0/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,51H,4-7,9-10,12-16,18-19,21-24,29-50H2,1-3H3/b11-8-,20-17-,27-25-,28-26-
HMDB43637	TG(15:0/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,53H,4-7,9-10,12-16,18-19,21-24,28,30-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-
HMDB43634	TG(15:0/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,49H,4-6,8-9,11-15,17-18,21-22,24,27-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-
HMDB07597	DG(22:0/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,28,30,41,44H,3-11,13,15-17,19-22,24-27,29,31-40H2,1-2H3/b14-12-,23-18-,30-28-/t41-/m0/s1
HMDB07596	DG(22:0/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,41,44H,3-11,13,15-17,19-22,24-40H2,1-2H3/b14-12-,23-18-/t41-/m0/s1
HMDB07595	DG(22:0/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,41,44H,3-17,19-22,24-40H2,1-2H3/b23-18-/t41-/m0/s1
HMDB07594	DG(22:0/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16,41,44H,3-13,15,17-40H2,1-2H3/b16-14-/t41-/m0/s1
HMDB07593	DG(22:0/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1
HMDB07592	DG(22:0/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h14,16,39,42H,3-13,15,17-38H2,1-2H3/b16-14-/t39-/m0/s1
HMDB07591	DG(22:0/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1
HMDB07590	DG(22:0/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(42)44-37-38(36-41)45-40(43)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3/t38-/m0/s1
HMDB43632	TG(15:0/18:3(9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-56H2,1-3H3/b11-8-,20-17-,33-26-
HMDB57668	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-32,35-38,73-75,80H,5-24,33-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,32-28-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB07599	DG(22:0/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,28,30,41,44H,3-5,7,9-11,13,15-17,19-22,24-27,29,31-40H2,1-2H3/b8-6-,14-12-,23-18-,30-28-/t41-/m0/s1
HMDB07598	DG(22:0/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,41,44H,3-5,7,9-11,13,15-17,19-22,24-40H2,1-2H3/b8-6-,14-12-,23-18-/t41-/m0/s1
HMDB43630	TG(15:0/18:3(9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-52H2,1-3H3/b11-8-,20-17-,29-26-
HMDB43631	TG(15:0/18:3(9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-54H2,1-3H3/b11-8-,20-17-,31-26-
HMDB57669	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-32,36-37,39-40,75-77,82H,5-24,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB50614	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,41-42,45,60H,4-15,17,20,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-
HMDB50615	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,41-42,45,47,50,60H,4-15,17,20,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-
HMDB50616	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-31,38,41,56H,4-7,9-10,12-16,19,22-24,29,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,41-38-
HMDB50617	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-31,36,38-39,41,56H,4-7,9-10,12-16,19,22-24,29,32-35,37,40,42-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-
HMDB50610	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,31,39,42,57H,4-13,15-16,19-20,22,24,29-30,32-38,40-41,43-56H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,31-27-,42-39-
HMDB50611	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,35,40,43,58H,4-15,17,20,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-
HMDB42483	TG(14:0/24:1(15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h24-25,54H,4-23,26-53H2,1-3H3/b25-24-
HMDB50613	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34,42,45,60H,4-15,17,20,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,45-42-
HMDB50618	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,35,40,43,58H,4-6,8-9,11-15,17,20,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-
HMDB50619	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,35,40-41,43-44,58H,4-6,8-9,11-15,17,20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-
HMDB04482	2-Methoxyestrone 3-glucuronide	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC(OC)=C(O[C@@H]4O[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)C=C3CC[C@@]21[H]	InChI=1S/C24H32O8/c1-24-8-7-12-13(15(24)5-6-18(24)25)4-3-11-9-17(16(30-2)10-14(11)12)31-23-21(28)19(26)20(27)22(29)32-23/h9-10,12-13,15,19-23,26-29H,3-8H2,1-2H3/t12-,13+,15-,19-,20-,21+,22-,23+,24-/m0/s1
HMDB04483	Estrone glucuronide	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3CC[C@@]21[H]	InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1
HMDB04484	Etiocholanolone glucuronide	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1
HMDB04486	Geranylgeranyl-PP	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+
HMDB04487	(+)-(S)-Carvone	CC(=C)[C@H]1CC=C(C)C(=O)C1	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
HMDB06886	7a,12a-Dihydroxy-5a-cholestan-3-one	[H][C@@]12CCC(C(C)CCCC(C)C)[C@@]1(C)C([H])(O)C[C@@]1([H])C2[C@H](O)CC2CC(=O)CC[C@]12C	InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17?,18?,20?,21-,22-,23+,24?,25?,26-,27+/m0/s1
HMDB06887	7a,12a-Dihydroxy-5b-cholestan-3-one	[H][C@]12CCC(C(C)CCCC(C)C)[C@@]1(C)C([H])(O)C[C@@]1([H])C2[C@H](O)CC2CC(=O)CC[C@]12C	InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17?,18?,20?,21-,22+,23-,24?,25?,26+,27-/m1/s1
HMDB06880	Acetyl adenylate	CC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
HMDB06888	5b-Cyprinol sulfate	CC(CCCC(CO)COS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@@H](O)[C@]12C	InChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16?,17?,18?,19-,20?,21?,22?,23-,24-,25?,26+,27-/m1/s1
HMDB06889	3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-CoA	CC(CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C1CCC2C3[C@H](O)C[C@]4([H])C[C@H](O)CCC4(C)C3C[C@H](O)C12C	InChI=1S/C48H78N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h9,23-25,27-34,36,38-40,44,56-58,60-61H,7-8,10-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/b26-9+/t25?,27-,28+,29?,30?,31?,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1
HMDB42486	TG(14:0/24:1(15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,60H,4-23,25,27-59H2,1-3H3/b26-24-
HMDB00067	Cholesterol	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(O)CC[C@]12C	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21?,22+,23-,24+,25+,26+,27-/m1/s1
HMDB00064	Creatine	CN(CC(O)=O)C(N)=N	InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
HMDB00062	L-Carnitine	C[N+](C)(C)C[C@@H](O)CC([O-])=O	InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1
HMDB00063	Cortisol	[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1
HMDB00060	Acetoacetic acid	CC(=O)CC(O)=O	InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
HMDB00061	Adenosine 3',5'-diphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
HMDB00068	Epinephrine	CNC[C@H](O)C1=CC=C(O)C(O)=C1	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
HMDB42487	TG(14:0/24:1(15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-
HMDB52920	TG(18:3(6Z,9Z,12Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,40,42-43,45,62H,4-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-
HMDB52921	TG(18:3(6Z,9Z,12Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,40,42-43,45,49,52,62H,4-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB52922	TG(18:3(6Z,9Z,12Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,32-33,39,42,58H,4-7,9-10,12-16,19,22-25,28-31,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,42-39-
HMDB52923	TG(18:3(6Z,9Z,12Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,32-33,38-39,41-42,58H,4-7,9-10,12-16,19,22-25,28-31,34-37,40,43-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,41-38-,42-39-
HMDB52924	TG(18:3(6Z,9Z,12Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,38,40,43,60H,4-7,9-10,12-16,19,22-25,28,30-33,36-37,39,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-
HMDB52925	TG(18:3(6Z,9Z,12Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,38,40,43-44,47,60H,4-7,9-10,12-16,19,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB52926	TG(18:3(6Z,9Z,12Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,40,42-43,45,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-
HMDB52927	TG(18:3(6Z,9Z,12Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,40,42-43,45,49,52,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB52928	TG(18:3(6Z,9Z,12Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,39,42,59H,4-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b21-18-,33-27-,42-39-
HMDB52929	TG(18:3(6Z,9Z,12Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,34-35,40-41,43-44,60H,4-16,19,22-25,28-33,36-39,42,45-59H2,1-3H3/b20-17-,21-18-,34-26-,35-27-,43-40-,44-41-
HMDB57347	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,42-43,45-46,48,52-54,57-58,60,64,66,70,85-87,92H,5-8,10-12,14-20,24,28-32,36,40-41,44,47,49-51,55-56,59,61-63,65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-,70-66-/t85?,86-,87-/m1/s1
HMDB57346	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,46-47,50-52,56,58-59,62-63,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,48-49,53-55,57,60-61,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-/t83?,84-,85-/m1/s1
HMDB57345	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB57344	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,52-53,56-57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-51,54-55,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-/t84?,85-,86-/m1/s1
HMDB57343	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,37-39,42-45,47,52-53,56-57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35-36,40-41,46,48-51,54-55,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB57342	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB57341	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB57340	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-/t83?,84-,85-/m1/s1
HMDB42484	TG(14:0/24:1(15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-
HMDB57349	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57348	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,48,52-54,57-58,60,64,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47,49-51,55-56,59,61-63,65-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-/t85?,86-,87-/m1/s1
HMDB42485	TG(14:0/24:1(15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-
HMDB31479	1-Heptanol	CCCCCCCO	InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
HMDB31478	Methyl heptanoate	CCCCCCC(=O)OC	InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
HMDB31475	Heptanal	CCCCCCC=O	InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
HMDB31474	1,4-Dithiane	C1CSCCS1	InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2
HMDB31477	3,4-Heptanedione	CCCC(=O)C(=O)CC	InChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-5H2,1-2H3
HMDB31476	2,3-Heptanedione	CCCCC(=O)C(C)=O	InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
HMDB31471	Diplodiatoxin	CC1CC(C)C2C(C1)C=C(C)C(C(O)=O)C2(C)C(=O)CCO	InChI=1S/C18H28O4/c1-10-7-11(2)15-13(8-10)9-12(3)16(17(21)22)18(15,4)14(20)5-6-19/h9-11,13,15-16,19H,5-8H2,1-4H3,(H,21,22)
HMDB31470	3,5-Dimethyl-1,2,4-trithiolane	CC1SSC(C)S1	InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3
HMDB31473	1,3-Dithiane	C1CSCSC1	InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2
HMDB31472	Dipropyl disulfide	CCCSSCCC	InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
HMDB35509	Tsugarioside B	CC(C)=CCCC(COC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3	InChI=1S/C37H60O7/c1-22(2)10-9-11-24(20-42-33-32(41)31(40)28(39)21-43-33)25-14-18-37(8)27-12-13-29-34(4,5)30(44-23(3)38)16-17-35(29,6)26(27)15-19-36(25,37)7/h10,24-25,28-33,39-41H,9,11-21H2,1-8H3
HMDB35508	Annoglabasin F	COC(=O)C1(CC23CC1CCC2C1(C)CCCC(C)(O)C1CC3)OC(C)=O	InChI=1S/C22H34O5/c1-14(23)27-22(18(24)26-4)13-21-11-8-16-19(2,9-5-10-20(16,3)25)17(21)7-6-15(22)12-21/h15-17,25H,5-13H2,1-4H3
HMDB07869	PC(14:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
HMDB07868	PC(14:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C37H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38(3,4)5)33-43-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h35H,6-34H2,1-5H3/t35-/m1/s1
HMDB07867	PC(14:0/14:1(9Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C36H70NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h13,15,34H,6-12,14,16-33H2,1-5H3/b15-13-/t34-/m1/s1
HMDB07866	PC(14:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1
HMDB07865	PA(18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1
HMDB07864	PA(18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37H,3-13,15,18,20-36H2,1-2H3,(H2,42,43,44)/b16-14-,19-17-/t37-/m1/s1
HMDB07863	PA(18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O	InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37H,3-12,14,16-17,19,21-36H2,1-2H3,(H2,42,43,44)/b15-13-,20-18-/t37-/m1/s1
HMDB07862	PA(18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36H2,1-2H3,(H2,42,43,44)/b15-13-,16-14-/t37-/m1/s1
HMDB07861	PA(18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37H,3-11,13,15-17,19,21-36H2,1-2H3,(H2,42,43,44)/b14-12-,20-18-/t37-/m1/s1
HMDB07860	PA(16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C37H69O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35H,3-10,12,14-16,19-34H2,1-2H3,(H2,40,41,42)/b13-11-,18-17-/t35-/m1/s1
HMDB57839	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57838	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57831	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-9,11-13,15-20,24,29-31,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57830	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-9,11-13,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57833	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57832	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-54,56-58,64-65,68-69,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,55,59-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-/t85?,86-,87-/m1/s1
HMDB57835	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,42-47,52-54,56-58,65-66,69-70,85-87,92H,5-8,11-12,15-20,24,29-31,39-41,48-51,55,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57834	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57837	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-54,56-58,65-66,69-70,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,55,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57836	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-54,56-58,65,69,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,55,59-64,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-/t85?,86-,87-/m1/s1
HMDB02338	Biochanin A	COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
HMDB02339	5-Methoxytryptophan	COC1=CC2=C(NC=C2C[C@H](N)C(O)=O)C=C1	InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1
HMDB02331	Imidazoleacetic acid riboside	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC(CC(O)=O)=C1	InChI=1S/C10H14N2O6/c13-3-6-8(16)9(17)10(18-6)12-2-5(11-4-12)1-7(14)15/h2,4,6,8-10,13,16-17H,1,3H2,(H,14,15)/t6-,8-,9-,10-/m1/s1
HMDB02332	B-Sulfinyl pyruvate	OC(=O)C(=O)CS(O)=O	InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)
HMDB02333	Safrole	C\C=C\C1=CC=C2OCOC2=C1	InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
HMDB02334	Benzoquinoneacetic acid	OC(=O)CC1=CC(=O)C=CC1=O	InChI=1S/C8H6O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
HMDB02335	Aspartyl-L-proline	N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O	InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1
HMDB02336	Biflorin	CC1=CC(=O)C2=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C2O1	InChI=1S/C16H18O9/c1-5-2-6(18)10-8(24-5)3-7(19)11(13(10)21)16-15(23)14(22)12(20)9(4-17)25-16/h2-3,9,12,14-17,19-23H,4H2,1H3/t9-,12-,14+,15-,16+/m1/s1
HMDB02337	Homophytanic acid	CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)=O	InChI=1S/C21H42O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21(22)23/h17-20H,6-16H2,1-5H3,(H,22,23)
HMDB56128	DG(24:0/0:0/18:3n3)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,43,46H,3-5,7,9-11,13,15-17,19-24,26-42H2,1-2H3/b8-6-,14-12-,25-18-
HMDB56129	DG(24:0/0:0/18:4n3)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,29,31,43,46H,3-5,7,9-11,13,15-17,19-24,26-28,30,32-42H2,1-2H3/b8-6-,14-12-,25-18-,31-29-
HMDB56124	DG(24:0/0:0/20:4n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,33,35,45,48H,3-11,13,15-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,20-18-,29-27-,35-33-
HMDB56125	DG(24:0/0:0/22:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47,50H,3-11,13,15-17,19,21-46H2,1-2H3/b14-12-,20-18-
HMDB56126	DG(24:0/0:0/22:4n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,47,50H,3-11,13,15-17,19,21-24,26,28-30,32,34-46H2,1-2H3/b14-12-,20-18-,27-25-,33-31-
HMDB56127	DG(24:0/0:0/22:5n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,37,39,47,50H,3-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b14-12-,20-18-,27-25-,33-31-,39-37-
HMDB56120	DG(24:0/0:0/18:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C46H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h14,16,20,26,44,47H,3-13,15,17-19,21-25,27-43H2,1-2H3/b16-14-,26-20-
HMDB56121	DG(24:0/0:0/18:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,29,31,43,46H,3-11,13,15-17,19-24,26-28,30,32-42H2,1-2H3/b14-12-,25-18-,31-29-
HMDB56122	DG(24:0/0:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C46H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,44,47H,3-9,11,13-15,17,19-43H2,1-2H3/b12-10-,18-16-
HMDB56123	DG(24:0/0:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,45,48H,3-11,13,15-17,19,21-26,28,30-44H2,1-2H3/b14-12-,20-18-,29-27-
HMDB33833	Methyl cinnamate	COC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-
HMDB33832	Cinnamyl cinnamate	O=C(OC\C=C\C1=CC=CC=C1)\C=C/C1=CC=CC=C1	InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13-
HMDB33831	Medicagol	OC1=CC=C2C3=C(C4=C(O3)C=C3OCOC3=C4)C(=O)OC2=C1	InChI=1S/C16H8O6/c17-7-1-2-8-10(3-7)22-16(18)14-9-4-12-13(20-6-19-12)5-11(9)21-15(8)14/h1-5,17H,6H2
HMDB33830	Cassiastearoptene	COC1=C(\C=C\C=O)C=CC=C1	InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
HMDB33837	Dimethyl succinate	COC(=O)CCC(=O)OC	InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
HMDB33836	Ethyl gallate	CCOC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
HMDB33835	Propyl gallate	CCCOC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
HMDB33834	Ethyl cinnamate	CCOC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
HMDB33839	Eudesmic acid	COC1=CC(=CC(OC)=C1OC)C(O)=O	InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
HMDB33838	Diethyl succinate	CCOC(=O)CCC(=O)OCC	InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
HMDB08079	PC(18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19-20,22,25,27,31,33,44H,6-16,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b19-17-,22-20-,27-25-,33-31-/t44-/m1/s1
HMDB08078	PC(18:1(11Z)/20:2(11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,44H,6-13,15,18,21,23-43H2,1-5H3/b16-14-,19-17-,22-20-/t44-/m1/s1
HMDB51369	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-37,39-41,44-46,48-49,62H,4-6,9,12-15,18,21-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB02388	Boswellic acid	[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C	InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
HMDB08075	PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,27,29,42H,6-8,10,12-14,19-20,22,24-26,28,30-41H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,29-27-/t42-/m1/s1
HMDB08074	PC(18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,42H,6-8,10,12-14,19-20,22,24-41H2,1-5H3/b11-9-,17-15-,18-16-,23-21-/t42-/m1/s1
HMDB08077	PC(18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19-20,22,44H,6-16,18,21,23-43H2,1-5H3/b19-17-,22-20-/t44-/m1/s1
HMDB08076	PC(18:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1
HMDB08071	PC(18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,21,23,42H,6-15,17,19-20,22,24-41H2,1-5H3/b18-16-,23-21-/t42-/m1/s1
HMDB08070	PC(18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,42H,6-15,20-41H2,1-5H3/b18-16-,19-17-/t42-/m1/s1
HMDB08073	PC(18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,27,29,42H,6-14,19-20,22,24-26,28,30-41H2,1-5H3/b17-15-,18-16-,23-21-,29-27-/t42-/m1/s1
HMDB08072	PC(18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,42H,6-14,19-20,22,24-41H2,1-5H3/b17-15-,18-16-,23-21-/t42-/m1/s1
HMDB55479	TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,38,40,43-44,47,60H,4-7,10,13-15,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB55478	TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,38,40,43,60H,4-7,10,13-15,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-
HMDB55477	TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,32-33,38-39,41-42,58H,4-7,10,13-15,22-24,29-31,34-37,40,43-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-
HMDB55476	TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB55475	TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-6,8,11,13-15,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB55474	TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-6,8,11,13-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB55473	TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-34,36-38,41-43,45-46,58H,4-6,8,11,13-15,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB55472	TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-34,36-38,41,43,46,58H,4-6,8,11,13-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB55471	TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-32,35-37,39-41,44,56H,4-7,10,13-15,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB55470	TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,35,37,40,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-
HMDB02381	N-Acetylcystathionine	CC(=O)NC(CSCC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C9H16N2O5S/c1-5(12)11-7(9(15)16)4-17-3-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7?/m0/s1
HMDB54375	TG(22:2(13Z,16Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,32,38,41,58H,4-7,9-10,12-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,41-38-
HMDB33165	4-Deoxyannoreticuin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCCCC1=CC(C)OC1=O	InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-11-18-23-31(37)33-25-26-34(41-33)32(38)24-19-14-17-22-30(36)21-16-13-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3
HMDB33164	Acetyl-T2 Toxin	CC(C)CC(=O)OC1CC2(COC(C)=O)C(OC3C(OC(C)=O)C(OC(C)=O)C2(C)C32CO2)C=C1C	InChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3
HMDB33167	Cyclohexanecarboxylic acid, 9CI; Et ester	CCOC(=O)C1CCCCC1	InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3
HMDB33166	Octyl octanoate	CCCCCCCCOC(=O)CCCCCCC	InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
HMDB33161	2,6-Pyridinedicarboxylic acid	OC(=O)C1=CC=CC(=N1)C(O)=O	InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
HMDB33160	2-Propylthiophene	CCCC1=CC=CS1	InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3
HMDB33163	Pyrocoll	O=C1N2C=CC=C2C(=O)N2C=CC=C12	InChI=1S/C10H6N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h1-6H
HMDB33162	4',6-Dihydroxyaurone; (Z)-form, 6-O-b-D-Glucopyranosyl	OCC1OC(OC2=CC=C3C(=O)\C(OC3=C2)=C\C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-12-5-6-13-14(8-12)29-15(17(13)24)7-10-1-3-11(23)4-2-10/h1-8,16,18-23,25-27H,9H2/b15-7-
HMDB33169	Garbogiol	CC1OC2=C(C3=C(C(O)=C2)C(=O)C2=C(O3)C(O)=CC=C2O)C1(C)C	InChI=1S/C18H16O6/c1-7-18(2,3)14-11(23-7)6-10(21)13-15(22)12-8(19)4-5-9(20)16(12)24-17(13)14/h4-7,19-21H,1-3H3
HMDB33168	15,20-Dihydroxypregn-4-en-3-one; (15a,20R)-form, 20-O-[b-D-Glucopyranosyl-(1-&gt;4)-6-O-acetyl-b-D-glucopyranoside]	CC(OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC12C	InChI=1S/C35H54O14/c1-15(21-12-22(39)25-19-6-5-17-11-18(38)7-9-34(17,3)20(19)8-10-35(21,25)4)46-32-30(44)28(42)31(24(48-32)14-45-16(2)37)49-33-29(43)27(41)26(40)23(13-36)47-33/h11,15,19-33,36,39-44H,5-10,12-14H2,1-4H3
HMDB31996	Licorice glycoside E	OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(COC(=O)C3=CNC4=C3C=CC=C4)C2O)C(O)C1O	InChI=1S/C35H35NO14/c37-14-27-28(40)29(41)30(50-34-31(42)35(44,16-46-34)15-45-32(43)22-13-36-23-4-2-1-3-20(22)23)33(49-27)47-19-8-5-17(6-9-19)25-12-24(39)21-10-7-18(38)11-26(21)48-25/h1-11,13,25,27-31,33-34,36-38,40-42,44H,12,14-16H2
HMDB31997	Simulenoline	CN1C(=O)C2=C(OC(C)(C\C=C\C(C)(C)O)C=C2)C2=C1C=CC=C2	InChI=1S/C20H23NO3/c1-19(2,23)11-7-12-20(3)13-10-15-17(24-20)14-8-5-6-9-16(14)21(4)18(15)22/h5-11,13,23H,12H2,1-4H3/b11-7+
HMDB31994	Licorice glycoside D1	OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(COC(=O)\C=C\C3=CC=C(O)C=C3)C2O)C(O)C1O	InChI=1S/C35H36O15/c36-15-27-29(41)30(42)31(50-34-32(43)35(44,17-46-34)16-45-28(40)12-3-18-1-6-20(37)7-2-18)33(49-27)47-22-9-4-19(5-10-22)25-14-24(39)23-11-8-21(38)13-26(23)48-25/h1-13,25,27,29-34,36-38,41-44H,14-17H2/b12-3+
HMDB31995	Licorice glycoside C1	COC1=CC(\C=C\C(=O)OCC2(O)COC(OC3C(O)C(O)C(CO)OC3OC3=CC=C(C=C3)C3CC(=O)C4=C(O3)C=C(O)C=C4)C2O)=CC=C1O	InChI=1S/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+
HMDB31992	Dulxanthone A	COC1=C(CC=C(C)C)C2=C(C(O)=C1)C(=O)C1=C(O2)C(O)=C(O)C=C1	InChI=1S/C19H18O6/c1-9(2)4-5-10-14(24-3)8-13(21)15-16(22)11-6-7-12(20)17(23)19(11)25-18(10)15/h4,6-8,20-21,23H,5H2,1-3H3
HMDB31993	Glyurallin A	COC1=C(CC=C(C)C)C(O)=CC2=C1C1=C(CO2)C2=C(O1)C=C(O)C=C2	InChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3
HMDB31990	Pitheduloside K	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)
HMDB31991	5,6,7-Trihydroxyflavone; 7-Me ether, 6-O-[a-L-rhamnopyranosyl-(1-&gt;2)-b-D-fucopyranoside]	COC1=C(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1	InChI=1S/C28H32O13/c1-11-19(30)22(33)24(35)27(37-11)41-26-23(34)20(31)12(2)38-28(26)40-25-17(36-3)10-16-18(21(25)32)14(29)9-15(39-16)13-7-5-4-6-8-13/h4-12,19-20,22-24,26-28,30-35H,1-3H3
HMDB54374	TG(22:2(13Z,16Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,32,58H,4-7,9-10,12-15,18,21-24,27,29-31,33-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-
HMDB31998	Peroxysimulenoline	CN1C(=O)C2=C(OC(C)(C\C=C\C(C)(C)OO)C=C2)C2=C1C=CC=C2	InChI=1S/C20H23NO4/c1-19(2,25-23)11-7-12-20(3)13-10-15-17(24-20)14-8-5-6-9-16(14)21(4)18(15)22/h5-11,13,23H,12H2,1-4H3/b11-7+
HMDB31999	Casuarine 6-alpha-D-glucoside	OCC1C(O)C(O)C2C(O)C(CN12)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H25NO10/c16-2-4-8(18)11(21)7-9(19)5(1-15(4)7)24-14-13(23)12(22)10(20)6(3-17)25-14/h4-14,16-23H,1-3H2
HMDB42042	tiropramide	CCCN(CCC)C(=O)C(CC1=CC=C(OCCN(CC)CC)C=C1)N=C(O)C1=CC=CC=C1	InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)
HMDB42043	tolfenamic acid	CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O	InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
HMDB42040	tipredane	[H]C12CC[C@@](SC)(SCC)C1(C)CC([H])(O)[C@@]1(F)C2([H])CCC2=CC(=O)C=CC12C	InChI=1S/C22H31FO2S2/c1-5-27-21(26-4)11-9-16-17-7-6-14-12-15(24)8-10-19(14,2)22(17,23)18(25)13-20(16,21)3/h8,10,12,16-18,25H,5-7,9,11,13H2,1-4H3/t16?,17?,18?,19?,20?,21-,22+/m1/s1
HMDB42041	tiracizine	Cl.CCOC(O)=NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1	InChI=1S/C21H25N3O3.ClH/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3;/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26);1H
HMDB42046	treosulfan	CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=O	InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3
HMDB08929	PE(16:0/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37H,3-10,12,14-16,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-,24-22-/t37-/m1/s1
HMDB08928	PE(16:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1
HMDB08927	PE(16:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
HMDB08926	PE(16:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37H,3-12,14,16-36,40H2,1-2H3,(H,43,44)/b15-13-/t37-/m1/s1
HMDB08925	PE(16:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1
HMDB08924	PE(16:0/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1
HMDB08923	PE(16:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
HMDB08922	PE(16:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h34H,3-33,37H2,1-2H3,(H,40,41)/t34-/m1/s1
HMDB08921	PE(16:0/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10-/t33-/m1/s1
HMDB08920	PE(16:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1
HMDB46972	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,54,57,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB46973	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB46970	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB46250	TG(20:0/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-56H2,1-3H3/b12-9-,21-18-,31-27-
HMDB46976	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,34,37-38,41,43,46,52,55,64H,4-7,10,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB46977	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,10,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB46974	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41,44,50,53,62H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB46975	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41-42,44-45,50,53,62H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB41205	Panaxydol linoleate	CCCCCCCC1OC1CC#CC#CC(OC(=O)CCCCCCC\C=C\C\C=C\CCCCC)C=C	InChI=1S/C35H54O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h6,12-13,15-16,32-34H,3-5,7-11,14,17-22,25,27,29-31H2,1-2H3/b13-12+,16-15+
HMDB46978	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB46979	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB58155	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,42-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,28-30,32,35,39-41,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,47-43-,48-44-,59-55-,60-56-/t79?,80-,81-/m1/s1
HMDB41204	Acetylpanaxydol	CCCCCCCC1OC1CC#CC#CC(OC(C)=O)C=C	InChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h5,17-19H,2,4,6-8,11,14-15H2,1,3H3
HMDB58154	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40,42-43,47,55,59,78-80,85H,5-20,22-24,27,29,31,34,36,39,41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,32-28-,37-33-,40-35-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB46255	TG(20:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-,51-48-
HMDB46254	TG(20:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-
HMDB45775	TG(20:0/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,32,38,41,58H,4-17,19-20,22-25,28,30-31,33-37,39-40,42-57H2,1-3H3/b21-18-,29-26-,32-27-,41-38-
HMDB45774	TG(20:0/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,33,59H,4-20,22-23,25,27-28,31-32,34-58H2,1-3H3/b24-21-,29-26-,33-30-
HMDB45777	TG(20:0/20:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,60H,4-15,17-18,20-24,26,29,31-33,35-36,38-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-
HMDB45776	TG(20:0/20:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,59H,4-14,16-17,19-23,25,28,30-58H2,1-3H3/b18-15-,27-24-,29-26-
HMDB45771	TG(20:0/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,34,37,43,46,60H,4-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b28-25-,30-27-,37-34-,46-43-
HMDB45773	TG(20:0/20:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,64H,4-24,26,29,31-63H2,1-3H3/b28-25-,30-27-
HMDB45772	TG(20:0/20:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,62H,4-24,26,29,31-61H2,1-3H3/b28-25-,30-27-
HMDB45779	TG(20:0/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,62H,4-15,17-18,20-24,26,29,31-61H2,1-3H3/b19-16-,28-25-,30-27-
HMDB39734	2,3,5,7,9-Pentathiadecane 2,2-dioxide	CSSCSCSCS(C)(=O)=O	InChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3
HMDB13413	PC(o-16:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,41H,6-13,15,18,21,23-40H2,1-5H3/b16-14-,19-17-,22-20-/t41-/m1/s1
HMDB13412	PC(o-16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19,41H,6-16,18,20-40H2,1-5H3/b19-17-/t41-/m1/s1
HMDB13411	PC(o-16:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,39H,6-15,20-38H2,1-5H3/b18-16-,19-17-/t39-/m1/s1
HMDB13410	PC(o-16:1(9Z)/14:1(9Z))	CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15-16,18,37H,6-12,14,17,19-36H2,1-5H3/b15-13-,18-16-/t37-/m1/s1
HMDB13417	PC(o-18:0/18:0)	[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C44H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1
HMDB13416	PC(o-16:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h17,19,45H,6-16,18,20-44H2,1-5H3/b19-17-/t45-/m1/s1
HMDB13415	PC(o-16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,29,31,43H,6-13,15,18,21,23,26-28,30,32-42H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,31-29-/t43-/m1/s1
HMDB13414	PC(o-16:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h17,19,43H,6-16,18,20-42H2,1-5H3/b19-17-/t43-/m1/s1
HMDB13419	PC(o-18:0/20:0)	[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C46H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1
HMDB13418	PC(o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,43H,6-14,16,18-20,22,24-42H2,1-5H3/b17-15-,23-21-/t43-/m1/s1
HMDB36078	(-)-Isopulegol	C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
HMDB36079	Dihydrocarvone	CC1CCC(CC1=O)C(C)=C	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3
HMDB29119	Tyrosyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C14H19N3O5/c15-10(5-6-12(16)19)13(20)17-11(14(21)22)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)
HMDB29118	Tyrosyl-Valine	CC(C)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)
HMDB59519	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,48-49,51-52,59-60,63-64,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB49351	TG(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,34,59H,4-19,22,26-27,30-33,35-58H2,1-3H3/b23-20-,24-21-,28-25-,34-29-
HMDB47122	TG(24:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-
HMDB49350	TG(18:1(11Z)/22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,64H,4-20,22-23,27,30-63H2,1-3H3/b24-21-,28-25-,29-26-
HMDB47123	TG(24:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,52,55,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-,55-52-
HMDB35216	10-Acetoxyoleuropein	COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C\COC(C)=O)C1CC(=O)OCCC1=CC(O)=C(O)C=C1	InChI=1S/C27H34O15/c1-13(29)38-8-6-15-16(10-21(32)39-7-5-14-3-4-18(30)19(31)9-14)17(25(36)37-2)12-40-26(15)42-27-24(35)23(34)22(33)20(11-28)41-27/h3-4,6,9,12,16,20,22-24,26-28,30-31,33-35H,5,7-8,10-11H2,1-2H3/b15-6+
HMDB58158	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,49-50,54,57,61-62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB47120	TG(24:0/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,29-26-,41-38-
HMDB44849	TG(18:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,42,45,51,54,64H,4-16,18-19,21-25,27-28,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,29-26-,36-34-,45-42-,54-51-
HMDB10405	LysoPC(24:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C32H66NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(35)38-29-31(34)30-40-41(36,37)39-28-27-33(2,3)4/h31,34H,5-30H2,1-4H3/t31-/m1/s1
HMDB47121	TG(24:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-
HMDB10404	LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C30H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,29,32H,5,8,11,14,17,20,23-28H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-/t29-/m1/s1
HMDB47126	TG(24:0/22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,60H,4-14,16-17,19-59H2,1-3H3/b18-15-
HMDB49354	TG(18:1(11Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,35,38,60H,4-16,18-19,22-23,27,30-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,38-35-
HMDB10407	LysoPC(P-16:0)	CCCCCCCCCCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h18,20,24,26H,5-17,19,21-23H2,1-4H3/b20-18-/t24-/m1/s1
HMDB47127	TG(24:0/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-
HMDB44844	TG(18:0/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,61H,4-13,15-16,18-22,24-25,27-60H2,1-3H3/b17-14-,26-23-
HMDB10406	LysoPC(24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C32H64NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(35)38-29-31(34)30-40-41(36,37)39-28-27-33(2,3)4/h12-13,31,34H,5-11,14-30H2,1-4H3/b13-12-/t31-/m1/s1
HMDB31125	Glycerol trihexanoate	CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC	InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
HMDB44845	TG(18:0/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,62H,4-16,18-19,21-25,27-28,30-36,38-39,41-61H2,1-3H3/b20-17-,29-26-,40-37-
HMDB10401	LysoPC(22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C30H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,29,32H,5-8,11,14,17,20-28H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t29-/m1/s1
HMDB39739	5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(O)C=C(OC)C=C2O1	InChI=1S/C43H74O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35-40(44)43-41(45)36-39(46-2)37-42(43)47-38/h35-37,45H,3-34H2,1-2H3
HMDB44846	TG(18:0/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,46,49,62H,4-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,29-26-,40-37-,49-46-
HMDB10400	LysoPC(22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C30H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,29,32H,5-8,11,14-28H2,1-4H3/b10-9-,13-12-/t29-/m1/s1
HMDB43395	TG(15:0/18:2(9Z,12Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2)48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3/h19,22,26-27,49H,4-18,20-21,23-25,28-48H2,1-3H3/b22-19-,27-26-
HMDB43394	TG(15:0/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-58(57-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)56-63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB43397	TG(15:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,52H,4-18,20-21,23-26,28,30-51H2,1-3H3/b22-19-,29-27-
HMDB44847	TG(18:0/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-
HMDB43391	TG(15:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,37,43,46,59H,4-7,9-10,12-16,18-19,21-24,29-34,36,38-42,44-45,47-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-35-,46-43-
HMDB10403	LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C30H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,29,32H,5,8,11,14,17,20-28H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t29-/m1/s1
HMDB43393	TG(15:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,39,42,48,51,61H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-39-,51-48-
HMDB43392	TG(15:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,39,42,61H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-38,40-41,43-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-39-
HMDB44840	TG(18:0/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-
HMDB10402	LysoPC(22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C30H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,21-22,29,32H,5-8,11,14,17,20,23-28H2,1-4H3/b10-9-,13-12-,16-15-,19-18-,22-21-/t29-/m1/s1
HMDB43399	TG(15:0/18:2(9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h20,23,28,32,56H,4-19,21-22,24-27,29-31,33-55H2,1-3H3/b23-20-,32-28-
HMDB43398	TG(15:0/18:2(9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,28,30,54H,4-19,21-22,24-27,29,31-53H2,1-3H3/b23-20-,30-28-
HMDB44841	TG(18:0/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-
HMDB44369	TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,33,39,42,54H,4-15,17-18,20-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,27-25-,29-26-,33-30-,42-39-
HMDB44842	TG(18:0/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20,23,29,36,61H,4-19,21-22,24-28,30-35,37-60H2,1-3H3/b23-20-,36-29-
HMDB44368	TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,33,39,42,54H,4-15,17-18,21-22,24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,23-20-,27-25-,33-30-,42-39-
HMDB44843	TG(18:0/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20,26,34,40,43,60H,4-16,18-19,21-25,27-33,35-39,41-42,44-59H2,1-3H3/b20-17-,34-26-,43-40-
HMDB59514	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69,71-73,75-76,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,70,74,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB43029	TG(15:0/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h25-26,28,30,35,38,51H,4-24,27,29,31-34,36-37,39-50H2,1-3H3/b26-25-,30-28-,38-35-
HMDB43028	TG(15:0/16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h25-26,51H,4-24,27-50H2,1-3H3/b26-25-
HMDB43023	TG(15:0/16:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB43022	TG(15:0/16:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB43021	TG(15:0/16:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB43020	TG(15:0/16:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB43027	TG(15:0/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h25-26,49H,4-24,27-48H2,1-3H3/b26-25-
HMDB43026	TG(15:0/16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h19,22,49H,4-18,20-21,23-48H2,1-3H3/b22-19-
HMDB43025	TG(15:0/16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-
HMDB43024	TG(15:0/16:0/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,45H,4-14,16-17,19-44H2,1-3H3/b18-15-
HMDB47739	TG(14:1(9Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,29,32,37,40,50H,4-13,15,18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,32-29-,40-37-
HMDB47738	TG(14:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,29,32,50H,4-13,15,18,20-22,25,28,30-31,33-49H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,32-29-
HMDB47733	TG(14:1(9Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,16-17,19,23-24,28,30,46H,4-13,15,18,20-22,25-27,29,31-45H2,1-3H3/b17-14-,19-16-,24-23-,30-28-
HMDB43489	TG(15:0/20:3n6/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,51H,4-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-
HMDB47731	TG(14:1(9Z)/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h14,17,23-24,52H,4-13,15-16,18-22,25-51H2,1-3H3/b17-14-,24-23-
HMDB47730	TG(14:1(9Z)/14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,17,23-24,50H,4-13,15-16,18-22,25-49H2,1-3H3/b17-14-,24-23-
HMDB47737	TG(14:1(9Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,16-17,19,23-24,50H,4-13,15,18,20-22,25-49H2,1-3H3/b17-14-,19-16-,24-23-
HMDB47736	TG(14:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,32,35,48H,4-13,15,18,20-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,35-32-
HMDB47735	TG(14:1(9Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,48H,4-13,15,18,20-22,25,28-47H2,1-3H3/b17-14-,19-16-,24-23-,27-26-
HMDB47734	TG(14:1(9Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2/h13-14,16-17,22-23,47H,4-12,15,18-21,24-46H2,1-3H3/b16-13-,17-14-,23-22-
HMDB54333	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB56528	CL(16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,44,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-44-/t77?,78-,79-/m1/s1
HMDB43488	TG(15:0/20:3n6/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,49H,4-14,17,20-23,26,29-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-
HMDB38014	Gibberellin A70	CC12CCCC3(OC1=O)C1CC(O)C4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H24O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)
HMDB59517	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-50,57-58,61-62,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t79?,80-,81-/m1/s1
HMDB13439	PC(o-20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h15,17,21,25,29,31,45H,6-14,16,18-20,22-24,26-28,30,32-44H2,1-5H3/b17-15-,25-21-,31-29-/t45-/m1/s1
HMDB29134	Valyl-Phenylalanine	CC(C)C(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O	InChI=1S/C14H20N2O3/c1-9(2)12(14(18)19)16-13(17)11(15)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)
HMDB48417	TG(16:1(9Z)/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h20,23-25,27,29,34,37,50H,4-19,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b23-20-,25-24-,29-27-,37-34-
HMDB36058	1-Ethyl-1H-pyrrole-2-carboxaldehyde	CCN1C=CC=C1C=O	InChI=1S/C7H9NO/c1-2-8-5-3-4-7(8)6-9/h3-6H,2H2,1H3
HMDB48416	TG(16:1(9Z)/14:0/20:1(11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h20,23-25,50H,4-19,21-22,26-49H2,1-3H3/b23-20-,25-24-
HMDB36059	Ganoderenic acid D	CC(CC(=O)\C=C(\C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O	InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,32H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-
HMDB53819	TG(20:3n6/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,38,41-42,45,51,54,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB29139	Valyl-Tyrosine	CC(C)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C14H20N2O4/c1-8(2)12(14(19)20)16-13(18)11(15)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)
HMDB59511	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67,69-71,74,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66,68,72-73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,74-70-/t89?,90-,91-/m1/s1
HMDB53818	TG(20:3n6/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,38,41-42,45,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-
HMDB56526	CL(16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB36057	1H-Pyrrole-2-carboxaldehyde	O=CC1=CC=CN1	InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
HMDB56869	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1
HMDB56527	CL(16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1
HMDB36054	12'-Apo-b-carotene-3,12'-diol	C\C(CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-
HMDB48412	TG(14:1(9Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,42,45,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-,45-42-
HMDB34326	L-erythro-4-Hydroxyarginine	NC(CC(O)CNC(N)=N)C(O)=O	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)
HMDB34327	Glucoconvallasaponin B	CC1C2C(CC3C4CCC5(OC6OCC(O)C(O)C6O)C(O)C(CC(O)C5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C38H62O15/c1-16-5-10-38(49-14-16)17(2)26-22(52-38)11-20-18-6-9-37(53-33-30(45)27(42)21(40)15-48-33)32(47)23(50-34-31(46)29(44)28(43)24(13-39)51-34)12-25(41)36(37,4)19(18)7-8-35(20,26)3/h16-34,39-47H,5-15H2,1-4H3
HMDB34324	S-Propyl-L-cysteine	CCCSCC(N)C(O)=O	InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
HMDB36055	Furapiole	COC1=C2OCOC2=CC2=C1OC(C)C2	InChI=1S/C11H12O4/c1-6-3-7-4-8-10(14-5-13-8)11(12-2)9(7)15-6/h4,6H,3,5H2,1-2H3
HMDB34322	L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid	NC(CN1OC(=O)C=C1)C(O)=O	InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)
HMDB34323	S-Allylcysteine	NC(CSCC=C)C(O)=O	InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
HMDB34320	()-Cystine	NC(CSSCC(N)C(O)=O)C(O)=O	InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
HMDB34321	3,14-Dihydroxycard-20(22)-enolide; (3b,5b,14b,17b)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;6)-b-D-glucopyranosyl-(1-&gt;4)-2,6-dideoxy-b-D-ribo-hexopyranoside]	CC1OC(CC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1	InChI=1S/C41H64O17/c1-18-36(58-38-35(50)33(48)31(46)27(57-38)17-53-37-34(49)32(47)30(45)26(15-42)56-37)25(43)14-29(54-18)55-21-6-9-39(2)20(13-21)4-5-24-23(39)7-10-40(3)22(8-11-41(24,40)51)19-12-28(44)52-16-19/h12,18,20-27,29-38,42-43,45-51H,4-11,13-17H2,1-3H3
HMDB44552	TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,56H,4-6,9,12-15,18,21-24,29-30,33,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-
HMDB36052	Isomarasmone	CC1(C)C2CC=C3COC4OC(=O)C2(C34)C(O)CC1=O	InChI=1S/C15H18O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8,10-12,17H,4-6H2,1-2H3
HMDB44550	TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,54H,4-6,9,12-15,18,21-24,28,31-32,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-
HMDB44551	TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,35,38,54H,4-6,9,12-15,18,21-24,28,31-32,34,36-37,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-
HMDB44556	TG(16:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-
HMDB44557	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,31,37,40,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,26-25-,31-28-,40-37-
HMDB34328	(3beta,5alpha,6a)-Cholesta-8,14-diene-3,6-diol	CC(C)CCCC(C)C1CC=C2C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3	InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h10,17-19,21,24-25,28-29H,6-9,11-16H2,1-5H3
HMDB36053	(3beta,9beta)-7-Drimene-3,11,12-triol	CC1(C)C(O)CCC2(C)C(CO)C(CO)=CCC12	InChI=1S/C15H26O3/c1-14(2)12-5-4-10(8-16)11(9-17)15(12,3)7-6-13(14)18/h4,11-13,16-18H,5-9H2,1-3H3
HMDB56865	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,62-63,66,83-85,90H,5-9,11-13,15-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-61,64-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-/t83?,84-,85-/m1/s1
HMDB36050	Anhydromarasmone	CC1(C)C=CC(=O)C23C4C(OCC4=CCC12)OC3=O	InChI=1S/C15H16O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,5-6,9,11-12H,4,7H2,1-2H3
HMDB56864	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-/t82?,83-,84-/m1/s1
HMDB36051	Dihydromarasmone	CC1(C)C(O)CC(O)C23C4C(OCC4=CCC12)OC3=O	InChI=1S/C15H20O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8-12,16-17H,4-6H2,1-2H3
HMDB56867	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-38,42-47,52-54,56-58,64,68,85-87,92H,5-9,12-13,16-20,24,28-32,39-41,48-51,55,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB56866	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-38,42-47,52-54,56-58,64,66,68,70,85-87,92H,5-9,11-13,15-20,24,28-32,39-41,48-51,55,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB56861	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,27,29-31,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB56860	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB15039	Ethacrynic acid	CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1	InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
HMDB15038	Methdilazine	CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1	InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
HMDB48419	TG(16:1(9Z)/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h20,23-25,54H,4-19,21-22,26-53H2,1-3H3/b23-20-,25-24-
HMDB15033	Rimexolone	CCC(=O)[C@@]1(C)[C@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@]12C	InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1
HMDB15032	Benzylpenicilloyl Polylysine	<smiles/>	InChI=1S/C22H32N4O6S.C6H14N2O2/c1-22(2)17(21(31)32)26-19(33-22)16(25-15(27)12-13-8-4-3-5-9-13)18(28)24-11-7-6-10-14(23)20(29)30;7-4-2-1-3-5(8)6(9)10/h3-5,8-9,14,16-17,19,26H,6-7,10-12,23H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H,31,32);5H,1-4,7-8H2,(H,9,10)/t14-,16?,17+,19-;5-/m11/s1
HMDB15031	Testolactone	[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]	InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
HMDB48418	TG(16:1(9Z)/14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h20,23-25,52H,4-19,21-22,26-51H2,1-3H3/b23-20-,25-24-
HMDB15037	Didanosine	OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O	InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
HMDB15036	Remifentanil	CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC	InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3
HMDB15034	Triazolam	CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12	InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
HMDB42815	TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31,33,54H,4-7,9-10,12-16,18-19,21-24,26,28-30,32,34-53H2,1-3H3/b11-8-,20-17-,27-25-,33-31-
HMDB42814	TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-51H2,1-3H3/b10-7-,19-16-,26-24-,31-29-
HMDB42817	TG(14:0/20:4(8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,35,37,58H,4-7,9-10,12-16,18-19,21-24,26,28-34,36,38-57H2,1-3H3/b11-8-,20-17-,27-25-,37-35-
HMDB42816	TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,33,35,56H,4-7,9-10,12-16,18-19,21-24,26,28-32,34,36-55H2,1-3H3/b11-8-,20-17-,27-25-,35-33-
HMDB42811	TG(14:0/20:4(8Z,11Z,14Z,17Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,16,19,23-24,26-27,48H,4-6,8-9,11-15,17-18,20-22,25,28-47H2,1-3H3/b10-7-,19-16-,24-23-,27-26-
HMDB42810	TG(14:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,51H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,20-17-,27-25-,35-32-
HMDB42813	TG(14:0/20:4(8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-
HMDB42812	TG(14:0/20:4(8Z,11Z,14Z,17Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,49H,4-6,8-9,11-15,17-18,20-23,26,29-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-
HMDB42819	TG(14:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-
HMDB42818	TG(14:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,26-27,48H,4-6,8-9,11-13,15,18,20-22,25,28-47H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-
HMDB15228	Oxamniquine	CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O	InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3
HMDB34664	Coflodiol	CC1(C)CCC2(C)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)=C2C1	InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h21-24,31-32H,9-18H2,1-8H3
HMDB15224	Ouabain	[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
HMDB37679	Guaicyl phenylacetate	COC1=C(OC(=O)CC2=CC=CC=C2)C=CC=C1	InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
HMDB37678	(-)-1(6),10-Pacifigorgiadiene	CC1CCC2=C1CCC(C)C2C=C(C)C	InChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,11-12,15H,5-8H2,1-4H3
HMDB37671	Pavetannin D1	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C5C6C(O)C(OC5=CC(O)=C34)(OC3=C(C4C(O)C(OC5=C(C7C(O)C(OC8=CC(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C45)C4=CC=C(O)C(O)=C4)C(O)=CC(O)=C63)C3=CC=C(O)C(O)=C3)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2
HMDB37670	Pavetannin C1	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C5C6C(O)C(OC7=CC(O)=C(C8C(O)C(OC9=CC(O)=CC(O)=C89)C8=CC(O)=C(O)C=C8)C(O)=C67)(OC5=CC(O)=C34)C3=CC(O)=C(O)C=C3)C3=CC(O)=C(O)C=C3)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2
HMDB37673	Cinnamtannin D1	O[C@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@@](OC7=CC(O)=CC(O)=C67)(OC5=CC(O)=C34)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1
HMDB37672	Epicatechin-(2beta-&gt;7,4beta-&gt;8)-epicatechin-(4beta-&gt;8)-epicatechin	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@@](OC7=CC(O)=CC(O)=C67)(OC5=CC(O)=C34)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1
HMDB37674	Pavetannin B6	OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C(C1C(O)C(OC3=C1C(O)=CC1=C3C3C(O)C(OC4=C3C(O)=CC(O)=C4)(O1)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1)=C(O)C=C2O	InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2
HMDB37677	(+)-1(9),10-Pacifigorgiadiene	CC1CC=C2C1CCC(C)C2C=C(C)C	InChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h8-9,11-13,15H,5-7H2,1-4H3
HMDB37676	(-)-Tamariscene	CC1CCC23C(C2C(C)=C)C(C)CCC13	InChI=1S/C15H24/c1-9(2)13-14-11(4)5-6-12-10(3)7-8-15(12,13)14/h10-14H,1,5-8H2,2-4H3
HMDB29966	Muricatocin B	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CC(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)20-19-30(38)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3
HMDB29967	Muricatin B	CCCCCCCCCCCCCC(O)C(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-16-19-31(38)34(40)32(39)22-21-30(37)33-23-20-29(43-33)18-15-13-14-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3
HMDB29964	Muricatin A	CCCCCCCCCC(O)CCCCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-10-15-28(36)16-13-14-19-31(38)32(39)21-22-33(40)34-23-20-30(43-34)18-12-9-11-17-29(37)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3
HMDB29965	Methyl beta-D-glucopyranoside	COC1OC(CO)C(O)C(O)C1O	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
HMDB29962	Annoglaucin	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-13-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-15-14-17-29(38)16-11-10-12-18-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
HMDB29963	Muricatin C	CCCCCCCCCC(O)CCCCC(O)C1CCC(O1)C(O)CCCCC(=O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-10-17-30(38)19-13-15-22-33(41)35-24-25-36(45-35)34(42)23-16-14-20-31(39)18-11-9-12-21-32(40)27-29-26-28(2)44-37(29)43/h26,28,30,32-36,38,40-42H,3-25,27H2,1-2H3
HMDB29960	Asimilobin	CCCCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-14-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3
HMDB29961	Annomuricin A	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)C(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3
HMDB29968	Ethyl beta-D-glucopyranoside	CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3
HMDB29969	Squamostanal A	CC1OC(=O)C(CCCCCCCCCCCCC=O)=C1	InChI=1S/C18H30O3/c1-16-15-17(18(20)21-16)13-11-9-7-5-3-2-4-6-8-10-12-14-19/h14-16H,2-13H2,1H3
HMDB49816	TG(18:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34-35,38,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,36-37,39-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,38-35-
HMDB49817	TG(18:1(9Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34-35,38,44,47,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,38-35-,47-44-
HMDB14349	Dofetilide	CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1	InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
HMDB14342	Fluconazole	OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1	InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
HMDB14343	Oseltamivir	CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1	InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
HMDB14340	Vidarabine	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
HMDB14341	Betaxolol	CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1	InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
HMDB14347	Succinylcholine	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
HMDB14344	Erythromycin	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
HMDB14345	Hydroxocobalamin	[H]O[Co+]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=N[C@@](C)([C@@]1([H])[C@H](CC(=O)N)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO)N1C=NC2=CC(C)=C(C)C=C12)[C@@](C)(CC(N)=O)[C@@H]5CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)/C(C)(C)[C@@H]3CCC(=O)N	InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
HMDB48578	TG(16:1(9Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27,29,34,37,50H,4-14,17,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,29-27-,37-34-
HMDB30741	Heliocide H3	CC(C)C1=C(O)C(O)=C(C=O)C2=C1C(=O)C1(C)CC(CCC=C(C)C)=CCC1C2=O	InChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-17-22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(30)25(17,5)11-15/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3
HMDB11837	Ganglioside GD2 (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C73H129N3O34/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-44(85)43(76-52(89)29-27-25-23-20-15-13-11-9-7-2)38-101-68-60(95)59(94)62(50(36-80)103-68)105-69-61(96)66(63(51(37-81)104-69)106-67-42(30-39(3)82)55(90)57(92)48(34-78)102-67)110-73(71(99)100)32-46(87)54(75-41(5)84)65(109-73)58(93)49(35-79)107-72(70(97)98)31-45(86)53(74-40(4)83)64(108-72)56(91)47(88)33-77/h42-51,53-69,77-81,85-88,90-96H,6-38H2,1-5H3,(H,74,83)(H,75,84)(H,76,89)(H,97,98)(H,99,100)/t42-,43+,44-,45+,46+,47-,48-,49-,50-,51-,53-,54-,55-,56-,57+,58-,59-,60-,61-,62-,63+,64?,65?,66-,67+,68-,69+,72-,73+/m1/s1
HMDB11836	Ganglioside GD1b (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C93H163N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(110)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-78(118)76(116)81(66(51-101)127-87)130-89-79(119)85(82(67(52-102)128-89)131-86-57(44-54(3)103)80(73(113)64(49-99)125-86)129-88-77(117)75(115)72(112)63(48-98)126-88)135-93(91(122)123)46-61(108)70(95-56(5)105)84(134-93)74(114)65(50-100)132-92(90(120)121)45-60(107)69(94-55(4)104)83(133-92)71(111)62(109)47-97/h20-21,40,42,57-67,69-89,97-102,106-109,111-119H,6-19,22-39,41,43-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/b21-20-,42-40+/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85-,86+,87-,88+,89+,92-,93+/m1/s1
HMDB11835	Ganglioside GD1b (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C93H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(110)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-78(118)76(116)81(66(51-101)127-87)130-89-79(119)85(82(67(52-102)128-89)131-86-57(44-54(3)103)80(73(113)64(49-99)125-86)129-88-77(117)75(115)72(112)63(48-98)126-88)135-93(91(122)123)46-61(108)70(95-56(5)105)84(134-93)74(114)65(50-100)132-92(90(120)121)45-60(107)69(94-55(4)104)83(133-92)71(111)62(109)47-97/h40,42,57-67,69-89,97-102,106-109,111-119H,6-39,41,43-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/b42-40+/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85-,86+,87-,88+,89+,92-,93+/m1/s1
HMDB11834	Ganglioside GD1b (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C92H163N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-67(109)95-57(58(105)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)52-123-86-77(117)75(115)80(65(50-100)126-86)129-88-78(118)84(81(66(51-101)127-88)130-85-56(43-53(3)102)79(72(112)63(48-98)124-85)128-87-76(116)74(114)71(111)62(47-97)125-87)134-92(90(121)122)45-60(107)69(94-55(5)104)83(133-92)73(113)64(49-99)131-91(89(119)120)44-59(106)68(93-54(4)103)82(132-91)70(110)61(108)46-96/h39,41,56-66,68-88,96-101,105-108,110-118H,6-38,40,42-52H2,1-5H3,(H,93,103)(H,94,104)(H,95,109)(H,119,120)(H,121,122)/b41-39+/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,66-,68-,69-,70-,71+,72+,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84-,85+,86-,87+,88+,91-,92+/m1/s1
HMDB11833	Ganglioside GD1b (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C91H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(108)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-76(116)74(114)79(64(49-99)125-85)128-87-77(117)83(80(65(50-100)126-87)129-84-55(42-52(3)101)78(71(111)62(47-97)123-84)127-86-75(115)73(113)70(110)61(46-96)124-86)133-91(89(120)121)44-59(106)68(93-54(5)103)82(132-91)72(112)63(48-98)130-90(88(118)119)43-58(105)67(92-53(4)102)81(131-90)69(109)60(107)45-95/h20-21,38,40,55-65,67-87,95-100,104-107,109-117H,6-19,22-37,39,41-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,108)(H,118,119)(H,120,121)/b21-20-,40-38+/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70+,71+,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83-,84+,85-,86+,87+,90-,91+/m1/s1
HMDB11832	Ganglioside GD1b (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C91H161N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(108)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-76(116)74(114)79(64(49-99)125-85)128-87-77(117)83(80(65(50-100)126-87)129-84-55(42-52(3)101)78(71(111)62(47-97)123-84)127-86-75(115)73(113)70(110)61(46-96)124-86)133-91(89(120)121)44-59(106)68(93-54(5)103)82(132-91)72(112)63(48-98)130-90(88(118)119)43-58(105)67(92-53(4)102)81(131-90)69(109)60(107)45-95/h38,40,55-65,67-87,95-100,104-107,109-117H,6-37,39,41-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,108)(H,118,119)(H,120,121)/b40-38+/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70+,71+,72-,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83-,84+,85-,86+,87+,90-,91+/m1/s1
HMDB11831	Ganglioside GD1b (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C90H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-65(107)93-55(56(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)50-121-84-75(115)73(113)78(63(48-98)124-84)127-86-76(116)82(79(64(49-99)125-86)128-83-54(41-51(3)100)77(70(110)61(46-96)122-83)126-85-74(114)72(112)69(109)60(45-95)123-85)132-90(88(119)120)43-58(105)67(92-53(5)102)81(131-90)71(111)62(47-97)129-89(87(117)118)42-57(104)66(91-52(4)101)80(130-89)68(108)59(106)44-94/h37,39,54-64,66-86,94-99,103-106,108-116H,6-36,38,40-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,107)(H,117,118)(H,119,120)/b39-37+/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69+,70+,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82-,83+,84-,85+,86+,89-,90+/m1/s1
HMDB11830	Ganglioside GD1b (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H155N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(106)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-74(114)72(112)77(62(47-97)123-83)126-85-75(115)81(78(63(48-98)124-85)127-82-53(40-50(3)99)76(69(109)60(45-95)121-82)125-84-73(113)71(111)68(108)59(44-94)122-84)131-89(87(118)119)42-57(104)66(91-52(5)101)80(130-89)70(110)61(46-96)128-88(86(116)117)41-56(103)65(90-51(4)100)79(129-88)67(107)58(105)43-93/h20-21,36,38,53-63,65-85,93-98,102-105,107-115H,6-19,22-35,37,39-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/b21-20-,38-36+/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68+,69+,70-,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81-,82+,83-,84+,85+,88-,89+/m1/s1
HMDB11839	Ganglioside GD2 (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H137N3O34/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-48(89)47(80-56(93)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-105-72-64(99)63(98)66(54(40-84)107-72)109-73-65(100)70(67(55(41-85)108-73)110-71-46(34-43(3)86)59(94)61(96)52(38-82)106-71)114-77(75(103)104)36-50(91)58(79-45(5)88)69(113-77)62(97)53(39-83)111-76(74(101)102)35-49(90)57(78-44(4)87)68(112-76)60(95)51(92)37-81/h46-55,57-73,81-85,89-92,94-100H,6-42H2,1-5H3,(H,78,87)(H,79,88)(H,80,93)(H,101,102)(H,103,104)/t46-,47+,48-,49+,50+,51-,52-,53-,54-,55-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67+,68?,69?,70-,71+,72-,73+,76-,77+/m1/s1
HMDB11838	Ganglioside GD2 (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C75H133N3O34/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-46(87)45(78-54(91)31-29-27-25-23-20-17-15-13-11-9-7-2)40-103-70-62(97)61(96)64(52(38-82)105-70)107-71-63(98)68(65(53(39-83)106-71)108-69-44(32-41(3)84)57(92)59(94)50(36-80)104-69)112-75(73(101)102)34-48(89)56(77-43(5)86)67(111-75)60(95)51(37-81)109-74(72(99)100)33-47(88)55(76-42(4)85)66(110-74)58(93)49(90)35-79/h44-53,55-71,79-83,87-90,92-98H,6-40H2,1-5H3,(H,76,85)(H,77,86)(H,78,91)(H,99,100)(H,101,102)/t44-,45+,46-,47+,48+,49-,50-,51-,52-,53-,55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65+,66?,67?,68-,69+,70-,71+,74-,75+/m1/s1
HMDB49894	TG(18:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,54H,4-6,8-9,11-15,17-18,20,22-23,27,30-53H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-
HMDB49895	TG(18:1(9Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,34,37,54H,4-6,8-9,11-15,17-18,20,22-23,27,30-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,37-34-
HMDB49896	TG(18:1(9Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,30,32,34,56H,4-6,8-9,11-15,17-18,20,22-23,27,29,31,33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,30-26-,34-32-
HMDB49897	TG(18:1(9Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,30,32,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,30-26-,34-32-,43-40-
HMDB49890	TG(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30,32,34,40,43,56H,4-15,17-18,20,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,28-25-,30-26-,34-32-,43-40-
HMDB49891	TG(18:1(9Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,32,58H,4-15,17-18,20,22-23,27,29-31,33-57H2,1-3H3/b19-16-,24-21-,28-25-,32-26-
HMDB49892	TG(18:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30-32,36,39,58H,4-15,17-18,20,22-23,27,29,33-35,37-38,40-57H2,1-3H3/b19-16-,24-21-,28-25-,31-30-,32-26-,39-36-
HMDB49893	TG(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30-32,36,39,45,48,58H,4-15,17-18,20,22-23,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,28-25-,31-30-,32-26-,39-36-,48-45-
HMDB52490	TG(18:2(9Z,12Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,37-38,41,47,50,63H,4-16,18-19,22-23,25,27-28,31-36,39-40,42-46,48-49,51-62H2,1-3H3/b20-17-,24-21-,29-26-,37-30-,41-38-,50-47-
HMDB52491	TG(18:2(9Z,12Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,39,65H,4-16,18-19,22-23,25,27-28,31-38,40-64H2,1-3H3/b20-17-,24-21-,29-26-,39-30-
HMDB52492	TG(18:2(9Z,12Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,37,39,43,46,65H,4-16,18-19,22-23,25,27-28,31-34,36,38,40-42,44-45,47-64H2,1-3H3/b20-17-,24-21-,29-26-,37-35-,39-30-,46-43-
HMDB52493	TG(18:2(9Z,12Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,37,39,43,46,52,55,65H,4-16,18-19,22-23,25,27-28,31-34,36,38,40-42,44-45,47-51,53-54,56-64H2,1-3H3/b20-17-,24-21-,29-26-,37-35-,39-30-,46-43-,55-52-
HMDB49898	TG(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,30-32,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,27,29,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,32-26-,39-36-
HMDB49899	TG(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28,30-32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,32-26-,39-36-,48-45-
HMDB52496	TG(18:2(9Z,12Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,37-38,41,63H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-36,39-40,42-62H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-30-,41-38-
HMDB52497	TG(18:2(9Z,12Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,37-38,41,47,50,63H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-36,39-40,42-46,48-49,51-62H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-30-,41-38-,50-47-
HMDB28769	Cysteinyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CS)C(O)=O	InChI=1S/C9H19N5O3S/c10-5(2-1-3-13-9(11)12)7(15)14-6(4-18)8(16)17/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)
HMDB28768	Cysteinyl-Alanine	CC(N)C(=O)NC(CS)C(O)=O	InChI=1S/C6H12N2O3S/c1-3(7)5(9)8-4(2-12)6(10)11/h3-4,12H,2,7H2,1H3,(H,8,9)(H,10,11)
HMDB28767	Aspartyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C9H15N3O6/c10-4(1-2-6(11)13)8(16)12-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)
HMDB28766	Aspartyl-Valine	CC(C)C(N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
HMDB28765	Aspartyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C13H16N2O6/c14-9(5-7-1-3-8(16)4-2-7)12(19)15-10(13(20)21)6-11(17)18/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)
HMDB28764	Aspartyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C15H17N3O5/c16-10(14(21)18-12(15(22)23)6-13(19)20)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20)(H,22,23)
HMDB28763	Aspartyl-Threonine	CC(O)C(N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C8H14N2O6/c1-3(11)6(9)7(14)10-4(8(15)16)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)
HMDB28762	Aspartyl-Serine	NC(CO)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C7H12N2O6/c8-3(2-10)6(13)9-4(7(14)15)1-5(11)12/h3-4,10H,1-2,8H2,(H,9,13)(H,11,12)(H,14,15)
HMDB28761	Aspartyl-Proline	OC(=O)CC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)
HMDB28760	Aspartyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C13H16N2O5/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)
HMDB53036	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,38,40,43,60H,4-7,9-10,12-16,19,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-
HMDB32849	trans-Chlorogenic acid	[H]OC(=O)C1(O[H])C([H])([H])C([H])(O[H])C([H])(O[H])C([H])(OC(=O)C(\[H])=C(\[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C1([H])[H]	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-
HMDB56328	DG(20:3n6/0:0/20:4n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,41,44H,3-4,6,8-10,15-16,21-22,27-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-
HMDB32848	2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one	OC1C(O)C2=C(C=CC3=C2C(=CC=C3)C1=O)C1=CC=C(O)C=C1	InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,18-20,22-23H
HMDB56326	DG(20:3n6/0:0/18:3n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,39,42H,3-5,7,9-10,15-16,20,23,25-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-
HMDB56327	DG(20:3n6/0:0/18:4n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27,39,42H,3-5,7,9-10,15-16,20,23,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-
HMDB56324	DG(20:3n6/0:0/22:4n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,43,46H,3-10,15-16,21,23,26,29,31-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-
HMDB28914	Isoleucyl-Phenylalanine	CCC(C)C(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O	InChI=1S/C15H22N2O3/c1-3-10(2)13(15(19)20)17-14(18)12(16)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)
HMDB56322	DG(20:3n6/0:0/20:4n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29,31,41,44H,3-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-
HMDB39819	2,4-Dimethyl-2-pentenoic acid	CC(C)\C=C(/C)C(O)=O	InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
HMDB56320	DG(20:2n6/0:0/22:6n3)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,22-23,27,29,33,35,42,45H,3-4,6,8-9,14-15,20-21,24-26,28,30-32,34,36-41H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-,23-22-,29-27-,35-33-
HMDB56321	DG(20:3n6/0:0/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,41,44H,3-10,15-16,21-22,27-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-
HMDB39818	a-L-Arabinofuranosyl-(1-&gt;2)-[a-D-mannopyranosyl-(1-&gt;6)]-D-mannose	OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C17H30O15/c18-1-4-7(20)10(23)13(26)16(30-4)28-3-6-9(22)11(24)14(15(27)29-6)32-17-12(25)8(21)5(2-19)31-17/h4-27H,1-3H2
HMDB28915	Isoleucyl-Proline	CCC(C)C(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C11H20N2O3/c1-3-7(2)9(11(15)16)13-10(14)8-5-4-6-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
HMDB39813	Cyclocalopin D	CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(OC1OC(CO)C(O)C(O)C1O)=C4COC(C)=O	InChI=1S/C23H32O13/c1-8-6-32-20(30)18-13(8)23-4-11(35-22(23,3)36-18)10(7-31-9(2)25)17(19(23)29)34-21-16(28)15(27)14(26)12(5-24)33-21/h8,11-16,18-19,21,24,26-29H,4-7H2,1-3H3
HMDB12580	14-hydroxy-E4-neuroprostane	CC\C=C/C\C=C/CC(O)\C=C\C1C(O)CC(=O)C1C\C=C/CCC(O)=O	InChI=1S/C22H32O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-6-,9-7-,15-14+
HMDB12587	15-Epi-lipoxin A4	CCCCC[C@@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m1/s1
HMDB39812	Cyclocalopin C1	CC1COC(=O)C2OC(C)(O)C3(C=CC(=C)C(O)C3O)C12	InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4-5,8-12,16-17,19H,1,6H2,2-3H3
HMDB12588	15-Epi-lipoxin B5	CC\C=C/C[C@@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@H](O)CCCC(O)=O	InChI=1S/C20H30O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h3-10,12,15,17-19,21-23H,2,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,12-9+,15-10+/t17-,18+,19+/m0/s1
HMDB39811	Cyclocalopin B	CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(OC(C)=O)C3OC(C)=O)C12	InChI=1S/C19H26O8/c1-9-6-7-19(16(26-12(4)21)14(9)25-11(3)20)13-10(2)8-24-17(22)15(13)27-18(19,5)23/h6,10,13-16,23H,7-8H2,1-5H3
HMDB56494	CL(16:0/18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB56495	CL(16:0/18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56496	CL(16:0/18:0/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H150O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h71-73,78H,5-70H2,1-4H3,(H,83,84)(H,85,86)/t71?,72-,73-/m1/s1
HMDB39810	Cyclocalopin A	CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3O)C12	InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3
HMDB56490	CL(16:0/18:0/16:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71?,72-,73-/m1/s1
HMDB56491	CL(16:0/18:0/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1
HMDB56492	CL(16:0/18:0/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25,33,35,38,42,50,54,73-75,80H,5-20,22-24,26-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB56493	CL(16:0/18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB39817	Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine	CC1NC(C)SCS1	InChI=1S/C5H11NS2/c1-4-6-5(2)8-3-7-4/h4-6H,3H2,1-2H3
HMDB56498	CL(16:0/18:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h28,32,71-73,78H,5-27,29-31,33-70H2,1-4H3,(H,83,84)(H,85,86)/b32-28-/t71?,72-,73-/m1/s1
HMDB56499	CL(16:0/18:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27,31,73-75,80H,5-26,28-30,32-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-/t73?,74-,75-/m1/s1
HMDB39816	2-Hexylfuran	CCCCCCC1=CC=CO1	InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
HMDB39815	Flusilazole	C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1	InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3
HMDB32846	5-Chloro-6-methoxy-2(3H)-benzoxazolone	COC1=CC2=C(NC(=O)O2)C=C1Cl.COC1=CC2=C(C=C1Cl)N=C(O)O2	InChI=1S/2C8H6ClNO3/c2*1-12-6-3-7-5(2-4(6)9)10-8(11)13-7/h2*2-3H,1H3,(H,10,11)
HMDB37902	4,5-Dimethyl-2-heptyloxazole	CCCCCCCC1=NC(C)=C(C)O1	InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12-13-10(2)11(3)14-12/h4-9H2,1-3H3
HMDB00606	D-2-Hydroxyglutaric acid	O[C@H](CCC(O)=O)C(O)=O	InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
HMDB00607	Cyanocobalamin	[C@@H]1(C2N3C4=C(C5=[N]6C(C([C@@H]5CCC(N)=O)(C)C)=CC5=[N]7C(=C(C8=[N]([C@@]2([C@@]([C@@H]8CCC(N)=O)(C)CC(N)=O)C)[Co+]367([N]2=CN(C3=C2C=C(C(C)=C3)C)[C@H]2O[C@H](CO)[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@]14C)[C@H]2O)C#N)C)[C@@]([C@@H]5CCC(N)=O)(C)CC(N)=O)C)CC(N)=O	InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1
HMDB00603	cis-4-Decenedioic acid	OC(=O)CCCC\C=C/CCC(O)=O	InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13,14)/b3-1-
HMDB11589	MG(24:1(15Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h9-10,26,28-29H,2-8,11-25H2,1H3/b10-9-/t26-/m0/s1
HMDB00601	Coprocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
HMDB06293	L-Erythrulose	OC[C@H](O)C(=O)CO	InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1
HMDB06292	Chenodeoxycholoyl-CoA	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25+,26-,27-,28+,29+,30-,31-,34+,36-,37-,38?,42-,44+,45-/m1/s1
HMDB11585	MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h6-7,9-10,12-13,15-16,18-19,24,26-27H,2-5,8,11,14,17,20-23H2,1H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t24-/m0/s1
HMDB06290	Alpha-Linolenoyl-CoA	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@@H](O)C1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-/t28-,32+,33?,34+,38-/m1/s1
HMDB11583	MG(22:2(13Z,16Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h6-7,9-10,24,26-27H,2-5,8,11-23H2,1H3/b7-6-,10-9-/t24-/m0/s1
HMDB11582	MG(22:1(13Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9-/t24-/m0/s1
HMDB00608	Cobalt	[Co++]	InChI=1S/Co/q+2
HMDB11580	MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h3-4,6-7,9-10,12-13,15-16,22,24-25H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t22-/m0/s1
HMDB55671	TG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-30,32,35-37,39-41,44,62H,4-6,13-15,22-24,31,33-34,38,42-43,45-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-
HMDB55670	TG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,43,46,59H,4-6,9,12-15,18,21-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB55673	TG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-6,13-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB55672	TG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-30,32,35-37,39-41,44-45,48,62H,4-6,13-15,22-24,31,33-34,38,42-43,46-47,49-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-
HMDB55675	TG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-6,9,12-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-
HMDB55674	TG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-6,13-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-
HMDB55677	TG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-30,32,35-37,39-41,44-45,48,50,53,62H,4-6,13-15,22-24,31,33-34,38,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,53-50-
HMDB55676	TG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-30,32,35-37,39-41,44,50,53,62H,4-6,13-15,22-24,31,33-34,38,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,53-50-
HMDB55679	TG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-6,13-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-
HMDB55678	TG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-6,13-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-
HMDB37904	Madlongiside C	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1)C(=O)OC1OCC(O)C(O)C1O	InChI=1S/C35H56O10/c1-30(2)9-11-35(29(43)45-28-25(41)24(40)22(39)16-44-28)12-10-33(5)18(19(35)13-30)7-8-23-31(3)14-21(38)27(42)32(4,17-36)26(31)20(37)15-34(23,33)6/h7,19-28,36-42H,8-17H2,1-6H3
HMDB53171	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,32-33,38,41,58H,4-8,10-11,13-15,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-
HMDB43895	TG(16:0/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h25-26,28,31,36,39,52H,4-24,27,29-30,32-35,37-38,40-51H2,1-3H3/b26-25-,31-28-,39-36-
HMDB37604	10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al	CC1CCCC2CC(=O)C(C=O)=CC12C	InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3
HMDB30653	Cryptochlorogenic acid	O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
HMDB53172	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-33,36,38-39,41,58H,4-8,10-11,13-15,22-24,29,34-35,37,40,42-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-
HMDB30650	8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one	CCCC(=O)C1=C(O)C2=C(OC(=O)C=C2CCC)C2=C1OC(C2)C(C)(C)O	InChI=1S/C21H26O6/c1-5-7-11-9-15(23)27-19-12-10-14(21(3,4)25)26-20(12)17(13(22)8-6-2)18(24)16(11)19/h9,14,24-25H,5-8,10H2,1-4H3
HMDB30651	Mukurozidiol	COC1=C2C=CC(=O)OC2=C(OCC(O)C(C)(C)O)C2=C1C=CO2	InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3
HMDB37600	Xanthomicrol	COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C(OC)=C1OC	InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3
HMDB30657	Carinol	COC1=CC(CC(CO)C(O)(CO)CC2=CC=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C20H26O7/c1-26-18-8-13(3-5-16(18)23)7-15(11-21)20(25,12-22)10-14-4-6-17(24)19(9-14)27-2/h3-6,8-9,15,21-25H,7,10-12H2,1-2H3
HMDB52375	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,37-38,43-44,46-47,52,55,64H,4-7,10,13-16,19,22-24,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-
HMDB52374	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,37-38,43,46,52,55,64H,4-7,10,13-16,19,22-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-
HMDB52377	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,10,13-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB52376	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39-40,43,45,48,54,57,66H,4-7,10,13-16,19,22-24,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-
HMDB52371	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,37,41,47,50,56,59,68H,4-8,10-11,13-16,19,22-24,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-,59-56-
HMDB30654	3-O-Caffeoylshikimic acid	OC1C=C(CC(OC(=O)\C=C/C2=CC(O)=C(O)C=C2)C1O)C(O)=O	InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2-
HMDB52373	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-8,10-11,13-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-
HMDB52372	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-8,10-11,13-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-
HMDB30655	Calabaxanthone	COC1=CC=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C1CC=C(C)C	InChI=1S/C24H24O5/c1-13(2)6-7-14-16(27-5)8-9-17-20(14)23(26)21-19(28-17)12-18-15(22(21)25)10-11-24(3,4)29-18/h6,8-12,25H,7H2,1-5H3
HMDB52379	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-
HMDB52378	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-
HMDB54236	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,38,44,47,60H,4-8,10-11,13-15,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB54237	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,38,40,43-44,47,60H,4-8,10-11,13-15,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB54234	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,38,41-42,45,47,50,64H,4-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB54235	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB54232	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,36-37,39-40,45-46,48-49,62H,4-15,22-24,31-35,38,41-44,47,50-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB54233	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,38,41,47,50,64H,4-15,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB54231	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB54238	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36-37,39-40,46,49,62H,4-7,9-10,12-15,22-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB54239	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-15,22-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB37763	xi-3-(4-Isopropylphenyl)-2-methylpropanal	CC(CC1=CC=C(C=C1)C(C)C)C=O	InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
HMDB51774	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB51775	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,33,35-36,41,44,62H,4-8,10-11,13-16,19,22-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-
HMDB51776	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,33,35-36,41-42,44-45,62H,4-8,10-11,13-16,19,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB51777	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,34,37-38,41,43,46,64H,4-8,10-11,13-16,19,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB51770	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37-38,41,43,46,64H,4-16,19,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB51771	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37-38,41,43,46-47,50,64H,4-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB51772	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,36,39,45,48,66H,4-15,17,20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51773	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,66H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB51778	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,34,37-38,41,43,46-47,50,64H,4-8,10-11,13-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB51779	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB37760	Hydroxysesamone	CC(C)=CCC1=C(O)C(=O)C2=C(O)C=CC(O)=C2C1=O	InChI=1S/C15H14O5/c1-7(2)3-4-8-13(18)11-9(16)5-6-10(17)12(11)15(20)14(8)19/h3,5-6,16-17,19H,4H2,1-2H3
HMDB09234	PE(20:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,43H,3-11,13,15-17,19,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b14-12-,20-18-,26-24-,32-30-/t43-/m1/s1
HMDB09235	PE(20:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,43H,3-5,7,9-11,13,15-17,19,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,20-18-,26-24-/t43-/m1/s1
HMDB07652	DG(22:2(13Z,16Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41,44H,3-10,12,15,18,20-40H2,1-2H3/b13-11-,16-14-,19-17-/t41-/m0/s1
HMDB07653	DG(22:2(13Z,16Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,41,44H,3-10,12,14-16,20-22,24-40H2,1-2H3/b13-11-,19-17-,23-18-/t41-/m0/s1
HMDB07654	DG(22:2(13Z,16Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44H,3-10,15-16,20-22,24-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-/t41-/m0/s1
HMDB09231	PE(20:0/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,43H,3-11,13,15-17,19,21-42,46H2,1-2H3,(H,49,50)/b14-12-,20-18-/t43-/m1/s1
HMDB07656	DG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,41,44H,3-5,7,9-10,15-16,20-22,24-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-/t41-/m0/s1
HMDB07657	DG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,28,30,41,44H,3-5,7,9-10,15-16,20-22,24-27,29,31-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-,30-28-/t41-/m0/s1
HMDB07658	DG(22:2(13Z,16Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43,46H,3-10,12,14-16,18,20-42H2,1-2H3/b13-11-,19-17-/t43-/m0/s1
HMDB07659	DG(22:2(13Z,16Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43,46H,3-10,12,14-16,21-42H2,1-2H3/b13-11-,19-17-,20-18-/t43-/m0/s1
HMDB09238	PE(20:0/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1
HMDB09239	PE(20:0/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45H,3-10,12,14-16,18,20-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-/t45-/m1/s1
HMDB02511	3,4,5-Trimethoxycinnamic acid	COC1=CC(\C=C\C(O)=O)=CC(OC)=C1OC	InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
HMDB02513	Lithocholate 3-O-glucuronide	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C30H48O9/c1-15(4-9-22(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37)/t15-,16-,17+,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1
HMDB33204	Camelliol B	CC(CCCO)C(CC\C(C)=C\CCC1=C(C)CCC2(C)CCC(C)(C)CC12)=C(C)C	InChI=1S/C30H52O/c1-22(2)26(24(4)12-10-20-31)15-14-23(3)11-9-13-27-25(5)16-17-30(8)19-18-29(6,7)21-28(27)30/h11,24,28,31H,9-10,12-21H2,1-8H3/b23-11+
HMDB33205	Roxarsone	OC1=C(C=C(C=C1)[As](O)(O)=O)N(=O)=O	InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)
HMDB33206	Arsenobetaine	C[As+](C)(C)CC([O-])=O	InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
HMDB33207	14,20-Epoxy-3,17-dihydroxy-1-oxowitha-5,24-dienolide; (3b,14a,17b,20S,22R)-form, 3-O-b-D-Glucopyranoside	CC1=C(C)C(=O)OC(C1)C1(C)OC23CCC1(O)C2(C)CCC1C3CC=C2CC(CC(=O)C12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C34H48O11/c1-16-12-24(44-28(40)17(16)2)32(5)34(41)11-10-33(45-32)21-7-6-18-13-19(42-29-27(39)26(38)25(37)22(15-35)43-29)14-23(36)31(18,4)20(21)8-9-30(33,34)3/h6,19-22,24-27,29,35,37-39,41H,7-15H2,1-5H3
HMDB33200	5-Isosylveterpinolene	CC(C)=C1CCC=C(C)C1	InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5H,4,6-7H2,1-3H3
HMDB33201	9-Hydroxydecanoic acid	CC(O)CCCCCCCC(O)=O	InChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
HMDB33202	Di-2-propenyl tetrasulfide	C=CCSSSSCC=C	InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
HMDB33203	6-Decanolide	CCCCC1CCCCC(=O)O1	InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3
HMDB41670	4',7-Dihydroxy-6-methoxyisoflavan	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1([H])C([H])([H])OC2=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C2C1([H])[H]	InChI=1S/C16H16O4/c1-19-16-7-11-6-12(9-20-15(11)8-14(16)18)10-2-4-13(17)5-3-10/h2-5,7-8,12,17-18H,6,9H2,1H3
HMDB41671	4'-Hydroxy-3,4,5-trimethoxystilbene	[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])=C1[H]	InChI=1S/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11,18H,1-3H3/b5-4+
HMDB41672	4'-Hydroxyenterolactone	[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[C@]1([H])C([H])([H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C18H18O5/c19-14-3-1-2-11(7-14)8-15-13(10-23-18(15)22)6-12-4-5-16(20)17(21)9-12/h1-5,7,9,13,15,19-21H,6,8,10H2/t13-,15+/m0/s1
HMDB41673	4'-Methoxy-2',3,7-trihydroxyisoflavanone	[H]OC1=C([H])C([H])=C2C(OC([H])([H])C(O[H])(C2=O)C2=C(O[H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])=C1[H]	InChI=1S/C16H14O6/c1-21-10-3-5-12(13(18)7-10)16(20)8-22-14-6-9(17)2-4-11(14)15(16)19/h2-7,17-18,20H,8H2,1H3
HMDB33208	Dimethyl diselenide	C[Se][Se]C	InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3
HMDB33209	Fenthion	COP(=S)(OC)OC1=CC(C)=C(SC)C=C1	InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
HMDB41676	4'-Methyl-(-)-epigallocatechin 7-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O3)C2=C([H])C(O[H])=C(OC([H])([H])[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C22H24O13/c1-32-19-11(24)2-7(3-12(19)25)18-13(26)6-9-10(23)4-8(5-14(9)34-18)33-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,13,15-18,20,22-29H,6H2,1H3,(H,30,31)/t13-,15+,16+,17-,18-,20+,22-/m1/s1
HMDB41677	4'-O-Methyldelphinidin 3-O-rutinoside	[H]OC1=C([H])C(O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C(O[H])=C1[H]	InChI=1S/C28H32O16/c1-9-19(33)21(35)23(37)27(41-9)40-8-18-20(34)22(36)24(38)28(44-18)43-17-7-12-13(30)5-11(29)6-16(12)42-25(17)10-3-14(31)26(39-2)15(32)4-10/h3-7,9,18-24,27-28,33-38H,8H2,1-2H3,(H3-,29,30,31,32)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,27+,28+/m0/s1
HMDB57268	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-65,68,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,66-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-/t85?,86-,87-/m1/s1
HMDB49469	TG(18:1(11Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,36,38-39,41,47,50,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-
HMDB49468	TG(18:1(11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,36,38-39,41,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-
HMDB49465	TG(18:1(11Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30,32,35-36,39,56H,4-7,9-10,12-15,18,22-23,27,29,31,33-34,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-
HMDB49464	TG(18:1(11Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30,32,35,56H,4-7,9-10,12-15,18,22-23,27,29,31,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-
HMDB49467	TG(18:1(11Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-34,36-37,42,45,58H,4-6,8-9,11-15,18,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB49466	TG(18:1(11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-34,36-37,58H,4-6,8-9,11-15,18,22-23,27,30-32,35,38-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-
HMDB49461	TG(18:1(11Z)/20:3n6/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,36,39,60H,4-15,18,22-23,27,30-35,37-38,40-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,39-36-
HMDB49460	TG(18:1(11Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33-34,36-37,42,45,58H,4-15,18,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB49463	TG(18:1(11Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,36,38-39,41,47,50,60H,4-15,18,22-23,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-
HMDB49462	TG(18:1(11Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,36,38-39,41,60H,4-15,18,22-23,27,30,32,34-35,37,40,42-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-
HMDB57269	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB58985	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-38,43-46,53-54,57-58,79-81,86H,5-20,23-24,28-30,32,35-36,39-42,47-52,55-56,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,45-43-,46-44-,57-53-,58-54-/t79?,80-,81-/m1/s1
HMDB50427	TG(20:1(11Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,42,45,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,45-42-
HMDB50426	TG(20:1(11Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-
HMDB50425	TG(20:1(11Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,44,47,53,56,66H,4-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,47-44-,56-53-
HMDB50424	TG(20:1(11Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,44,47,66H,4-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,47-44-
HMDB50423	TG(20:1(11Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,66H,4-16,18-19,21-25,28,31-65H2,1-3H3/b20-17-,29-26-,30-27-
HMDB50422	TG(20:1(11Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,38,41,47,50,64H,4-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,50-47-
HMDB50421	TG(20:1(11Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,38,41,64H,4-16,18-19,21-25,28,31-37,39-40,42-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-
HMDB50420	TG(20:1(11Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,63H,4-14,16-17,19-23,25,28,30-62H2,1-3H3/b18-15-,27-24-,29-26-
HMDB50429	TG(20:1(11Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,50-47-
HMDB50428	TG(20:1(11Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,38,41,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-
HMDB54383	TG(22:2(13Z,16Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,41,44,50,53,64H,4-15,18,21-24,27,30-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,44-41-,53-50-
HMDB54380	TG(22:2(13Z,16Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,59H,4-15,17-18,20-24,26-27,29-58H2,1-3H3/b19-16-,28-25-
HMDB47710	TG(24:0/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C64H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-40-43-46-49-52-55-58-64(66)69-61-62(67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)60-68-63(65)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20,23,29,36,62H,4-19,21-22,24-28,30-35,37-61H2,1-3H3/b23-20-,36-29-
HMDB37313	Citromitin	COC1=CC=C(C=C1OC)C1CC(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1	InChI=1S/C21H24O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-9,14H,10H2,1-6H3
HMDB49289	TG(18:1(11Z)/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30,34,37,54H,4-15,17-18,21-22,24,26,29,31-33,35-36,38-53H2,1-3H3/b19-16-,23-20-,28-25-,30-27-,37-34-
HMDB49288	TG(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,27-28,30-31,55H,4-18,21,24-26,29,32-54H2,1-3H3/b22-19-,23-20-,30-27-,31-28-
HMDB54384	TG(22:2(13Z,16Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-
HMDB49281	TG(18:1(11Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,55H,4-19,22,25-54H2,1-3H3/b23-20-,24-21-
HMDB49280	TG(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,30-31,36,39,45,48,58H,4-6,8-9,11-15,17-18,22,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,31-30-,39-36-,48-45-
HMDB49283	TG(18:1(11Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,26-27,29-30,54H,4-18,20-21,23-25,28,31-53H2,1-3H3/b22-19-,29-26-,30-27-
HMDB49282	TG(18:1(11Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,27,30,54H,4-18,21,24-26,28-29,31-53H2,1-3H3/b22-19-,23-20-,30-27-
HMDB49285	TG(18:1(11Z)/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,31-32,34,40,43,56H,4-19,21-22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b23-20-,28-25-,31-27-,34-32-,43-40-
HMDB49284	TG(18:1(11Z)/18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,31,56H,4-19,21-22,24,26,29-30,32-55H2,1-3H3/b23-20-,28-25-,31-27-
HMDB49287	TG(18:1(11Z)/18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,35,60H,4-19,21-22,24,26,29-34,36-59H2,1-3H3/b23-20-,28-25-,35-27-
HMDB49286	TG(18:1(11Z)/18:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,33,58H,4-19,21-22,24,26,29-32,34-57H2,1-3H3/b23-20-,28-25-,33-27-
HMDB32157	Acetostearin	CC([O-])=O.OCC(O)CO.CCCCCCCCCCCCCCCCCC([O-])=O	InChI=1S/C18H36O2.C3H8O3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-3(6)2-5;1-2(3)4/h2-17H2,1H3,(H,19,20);3-6H,1-2H2;1H3,(H,3,4)/p-2
HMDB32156	alpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant)	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)C1CC2=CC=CC=C2C1	InChI=1S/C21H25N3O3S/c1-16(25)22-19-6-8-21(9-7-19)28(26,27)24-12-10-23(11-13-24)20-14-17-4-2-3-5-18(17)15-20/h2-9,20H,10-15H2,1H3,(H,22,25)
HMDB32155	Acetaldehyde 1,3-octanediol acetal	CCCCCC1CCOC(C)O1	InChI=1S/C10H20O2/c1-3-4-5-6-10-7-8-11-9(2)12-10/h9-10H,3-8H2,1-2H3
HMDB32154	Acetaldehyde hexyl isoamyl acetal	CCCCCCOC(C)OCCC(C)C	InChI=1S/C13H28O2/c1-5-6-7-8-10-14-13(4)15-11-9-12(2)3/h12-13H,5-11H2,1-4H3
HMDB32153	Acetaldehyde diisoamyl acetal	CC(C)CCOC(C)OCCC(C)C	InChI=1S/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3
HMDB32152	Acetaldehyde di-cis-3-hexenyl acetal	CC\C=C/CCOC(C)OCC\C=C/CC	InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h6-9,14H,4-5,10-13H2,1-3H3/b8-6-,9-7-
HMDB32151	3,4-Dimethylphenol	CC1=CC=C(O)C=C1C	InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
HMDB32150	2,6-Dimethylphenol	CC1=CC=CC(C)=C1O	InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
HMDB47535	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,41,44,50,53,62H,4-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,24-21-,28-26-,36-33-,44-41-,53-50-
HMDB47534	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,39,42,48,51,60H,4-14,16,19,21-24,26,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b18-15-,20-17-,27-25-,35-32-,42-39-,51-48-
HMDB47537	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,37-38,43,46,52,55,64H,4-16,18-19,21-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,29-26-,37-34-,38-27-,46-43-,55-52-
HMDB47536	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,43,46,52,55,64H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,24-21-,29-26-,37-34-,46-43-,55-52-
HMDB47531	TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,57,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-
HMDB47530	TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-
HMDB32159	2-Acetyl-3,5-dimethylfuran	CC(=O)C1=C(C)C=C(C)O1	InChI=1S/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
HMDB32158	(+/-)-1-Acetoxy-1-ethoxyethane	CCOC(C)OC(C)=O	InChI=1S/C6H12O3/c1-4-8-6(3)9-5(2)7/h6H,4H2,1-3H3
HMDB57725	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,62-64,66,68,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-61,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57724	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43,45-46,48-50,52,57-58,60-62,64,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,44,47,51,53-56,59,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,49-45-,50-46-,52-48-,61-57-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB03391	2-Phospho-D-glyceric acid	OC[C@@H](OP(O)(O)=O)C(O)=O	InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
HMDB57729	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,29,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57728	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-8,10-12,14-20,23-24,29-30,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t79?,80-,81-/m1/s1
HMDB47283	TG(24:0/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,66H,4-16,18-19,21-25,28,31-65H2,1-3H3/b20-17-,29-26-,30-27-
HMDB45106	TG(18:0/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-19,21-22,27,30,36,39,54H,4-17,20,23-26,28-29,31-35,37-38,40-53H2,1-3H3/b21-18-,22-19-,30-27-,39-36-
HMDB47281	TG(24:0/20:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,41,64H,4-16,18-19,21-25,28,31-37,39-40,42-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-
HMDB01721	DL-O-Phosphoserine	NC(COP(O)(O)=O)C(O)=O	InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
HMDB47287	TG(24:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,42,45,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,45-42-
HMDB47286	TG(24:0/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-
HMDB47285	TG(24:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,43,46,52,55,66H,4-16,18-19,21-25,28,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,46-43-,55-52-
HMDB45107	TG(18:0/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,54H,4-17,19-20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b21-18-,28-25-,30-27-,39-36-
HMDB47289	TG(24:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,50-47-
HMDB47288	TG(24:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,38,41,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-
HMDB45105	TG(18:0/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,52H,4-16,18-19,22-23,25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,24-21-,28-26-,37-34-
HMDB01898	Mesobilirubinogen	CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)=C3C)N2)N1	InChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
HMDB01890	Acetylcysteine	CC(=O)N[C@@H](CS)C(O)=O	InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
HMDB01891	m-Aminobenzoic acid	NC1=CC=CC(=C1)C(O)=O	InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
HMDB01892	Menadione	CC1=CC(=O)C2=CC=CC=C2C1=O	InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
HMDB01893	Alpha-Tocopherol	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
HMDB01894	Aspartame	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O	InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
HMDB01895	Salicylic acid	OC(=O)C1=CC=CC=C1O	InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
HMDB01896	5-Methoxytryptophol	COC1=CC=C2NC=C(CCO)C2=C1	InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
HMDB01897	Substance P	CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O	InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43+,44-,45+,46+,47+,48+,49-/m0/s1
HMDB48208	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-28,31,34,52H,4-14,17,21-22,26,29-30,32-33,35-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,28-27-,34-31-
HMDB48206	TG(14:1(9Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,55H,4-14,17,20-23,25,27-54H2,1-3H3/b18-15-,19-16-,26-24-
HMDB45108	TG(18:0/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,31,38,41,56H,4-17,19-20,22-24,26,29-30,32-37,39-40,42-55H2,1-3H3/b21-18-,28-25-,31-27-,41-38-
HMDB48207	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-19,23-24,26-27,29,32,50H,4-13,20-22,25,28,30-31,33-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,32-29-
HMDB45109	TG(18:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,31-32,34,38,40-41,43,56H,4-17,19-20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB48205	TG(14:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30,32,36,39,45,48,58H,4-6,8-9,11-14,21-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,48-45-
HMDB48203	TG(14:1(9Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,32,34,40,43,56H,4-7,9-10,12-14,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,43-40-
HMDB07651	DG(22:2(13Z,16Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,41,44H,3-10,12,14-16,18,20-40H2,1-2H3/b13-11-,19-17-/t41-/m0/s1
HMDB48200	TG(14:1(9Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,54H,4-7,9-10,12-14,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-
HMDB48201	TG(14:1(9Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,35,38,54H,4-7,9-10,12-14,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-,38-35-
HMDB51139	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,33-37,42-43,45-46,59H,4-20,22-23,27,31-32,38-41,44,47-58H2,1-3H3/b24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,45-42-,46-43-
HMDB35318	4-Hydroxybenzoic acid, 9CI, 8CI; [b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranosyl] ester	OCC1(O)COC(OCC2OC(OC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C1O	InChI=1S/C18H24O12/c19-6-18(26)7-28-17(14(18)24)27-5-10-11(21)12(22)13(23)16(29-10)30-15(25)8-1-3-9(20)4-2-8/h1-4,10-14,16-17,19-24,26H,5-7H2
HMDB35319	Cucurbitaxanthin A	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C\C=C(\C)/C=C/C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,22-21+,24-23+,29-15+,30-16-,31-19+,32-20-
HMDB38148	Ipomeamaronol	CC(CO)CC(=O)CC1(C)CCC(O1)C1=COC=C1	InChI=1S/C15H22O4/c1-11(9-16)7-13(17)8-15(2)5-3-14(19-15)12-4-6-18-10-12/h4,6,10-11,14,16H,3,5,7-9H2,1-2H3
HMDB38149	Nepetaside	CC1C(CC2C1C(=O)OCC2C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H26O8/c1-6-5-22-15(21)11-7(2)9(3-8(6)11)23-16-14(20)13(19)12(18)10(4-17)24-16/h6-14,16-20H,3-5H2,1-2H3
HMDB35314	Ganoderol B	CC(CC\C=C(/C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+
HMDB35315	Ganodermatriol	CC(CCC=C(CO)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H48O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25-26,31-33H,7-8,11-12,14-19H2,1-6H3
HMDB35316	(5R,5'R,6S,8'R)-Luteochrome	C/C(/C=C/C=C(/C)\C=C/C12OC1(C)CCCC2(C)C)=C\C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CCCC(C)(C)C2=C1	InChI=1S/C40H56O2/c1-30(19-13-20-32(3)23-28-40-37(7,8)25-16-27-39(40,10)42-40)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)41-34/h11-14,17-23,28-29,34H,15-16,24-27H2,1-10H3/b12-11-,19-13+,21-14+,28-23-,30-17+,31-18+,32-20-,33-22-
HMDB38145	Junosine	CN1C2=C(C(O)=C(CC=C(C)C)C(O)=C2)C(=O)C2=C1C(O)=CC=C2	InChI=1S/C19H19NO4/c1-10(2)7-8-11-15(22)9-13-16(18(11)23)19(24)12-5-4-6-14(21)17(12)20(13)3/h4-7,9,21-23H,8H2,1-3H3
HMDB38142	5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin	CC(C)=CCC\C1=C\CSSSSC1	InChI=1S/C10H16S4/c1-9(2)4-3-5-10-6-7-11-13-14-12-8-10/h4,6H,3,5,7-8H2,1-2H3/b10-6-
HMDB38143	Calamin	COC(=O)CC(O)C1(C)C2CCC3(C)C(OC(=O)C4OC34C2(C)C(O)C(=O)C1C(C)(C)O)C1=COC=C1	InChI=1S/C27H36O10/c1-23(2,33)18-17(30)19(31)26(5)14(25(18,4)15(28)11-16(29)34-6)7-9-24(3)20(13-8-10-35-12-13)36-22(32)21-27(24,26)37-21/h8,10,12,14-15,18-21,28,31,33H,7,9,11H2,1-6H3
HMDB38140	Santene	CC1=C(C)C2CCC1C2	InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3
HMDB35313	Ganoderic acid S	CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C32H48O5/c1-19(28(35)36)9-11-25(37-21(3)33)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(34)15-16-30(26,6)23(24)14-18-31(22,32)7/h9-10,14,20,22,25-27,34H,11-13,15-18H2,1-8H3,(H,35,36)/b19-9+
HMDB30793	Moracin B	COC1=CC(O)=CC(=C1)C1=CC2=CC(O)=C(OC)C=C2O1	InChI=1S/C16H14O5/c1-19-12-4-9(3-11(17)7-12)14-6-10-5-13(18)16(20-2)8-15(10)21-14/h3-8,17-18H,1-2H3
HMDB30792	Monascoflavin	CCCCCC(=O)C1C2CC3=C(COC(\C=C/C)=C3)C(=O)C2(C)OC1=O	InChI=1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5-
HMDB30791	Dihydromethysticin	COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)C1	InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3
HMDB30790	6-[(3,4-Methylenedioxy)phenyl]-3,3-dimethyl-1-hexene	CC(C)(CCCC1=CC2=C(OCO2)C=C1)C=C	InChI=1S/C15H20O2/c1-4-15(2,3)9-5-6-12-7-8-13-14(10-12)17-11-16-13/h4,7-8,10H,1,5-6,9,11H2,2-3H3
HMDB30797	Mulberranol	CC(C)=CCC1=C(OC2=CC3=C(CC(O3)C(C)(C)O)C(O)=C2C1=O)C1=CC=C(O)C=C1O	InChI=1S/C25H26O7/c1-12(2)5-7-15-22(28)21-19(32-24(15)14-8-6-13(26)9-17(14)27)11-18-16(23(21)29)10-20(31-18)25(3,4)30/h5-6,8-9,11,20,26-27,29-30H,7,10H2,1-4H3
HMDB30796	Morin	OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
HMDB30795	Moreollin	CCOC1C2CC3C(C)(C)OC(C\C=C(\C)C=O)(C2=O)C32OC3=C(CC=C(C)C)C4=C(C=CC(C)(C)O4)C(O)=C3C(=O)C12	InChI=1S/C35H42O8/c1-9-40-30-22-16-23-33(7,8)43-34(31(22)39,15-12-19(4)17-36)35(23)25(30)27(38)24-26(37)20-13-14-32(5,6)41-28(20)21(29(24)42-35)11-10-18(2)3/h10,12-14,17,22-23,25,30,37H,9,11,15-16H2,1-8H3/b19-12-
HMDB30794	Morellin	CC(C)=CCC1=C2OC34C5CC(C=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C(=O)C4(C\C=C(\C)C=O)OC5(C)C	InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-
HMDB30799	5-Deoxymyricanone	COC1=CC2=CC(=C1OC)C1=C(O)C=CC(CCC(=O)CCCC2)=C1	InChI=1S/C21H24O4/c1-24-20-13-15-5-3-4-6-16(22)9-7-14-8-10-19(23)17(11-14)18(12-15)21(20)25-2/h8,10-13,23H,3-7,9H2,1-2H3
HMDB30798	Myricanone	COC1=C(O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(=O)CCCC2)=C1	InChI=1S/C21H24O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,23-24H,3-7,9H2,1-2H3
HMDB36654	Rubitic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CC(O)C34C)C2C1C)C(O)=O	InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)
HMDB36655	Rubinic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CC(O)C34C)C2C1C)C(O)=O	InChI=1S/C30H46O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)
HMDB36656	Asiaticoside	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3
HMDB36657	Epi-alpha-amyrin	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3
HMDB36650	Sinalbin A	CON1C2=C(CN=C(S2)S(C)=O)C2=CC=CC=C12	InChI=1S/C12H12N2O2S2/c1-16-14-10-6-4-3-5-8(10)9-7-13-12(18(2)15)17-11(9)14/h3-6H,7H2,1-2H3
HMDB36651	Euscaphic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O	InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)
HMDB36652	(2xi,20beta)-2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid	CC1C2C3=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(CCC1(C)O)C(O)=O	InChI=1S/C30H46O5/c1-17-22-18-8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)10-11-28(21,6)27(18,5)12-14-30(22,24(33)34)15-13-29(17,7)35/h8,17,19-22,31,35H,9-16H2,1-7H3,(H,33,34)
HMDB36653	Micromeric acid	CC1C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O	InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,19,21-24,31H,1,9-17H2,2-7H3,(H,32,33)
HMDB36658	alpha-Amyrin acetate	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1C	InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3
HMDB36659	alpha-Amyrone	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C	InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3
HMDB58988	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,44-48,50,55-56,58-60,62,81-83,88H,5-20,24,28-32,36,40-43,49,51-54,57,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,47-44-,48-45-,50-46-,59-55-,60-56-,62-58-/t81?,82-,83-/m1/s1
HMDB55880	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,40-45,50,53,64H,4-6,13-15,22-24,31-32,35,38-39,46-49,51-52,54-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-
HMDB58989	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,41,44,46-47,49-50,52,56-58,61-62,64,68,83-85,90H,5-20,24,28-32,36,40,42-43,45,48,51,53-55,59-60,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,50-47-,56-52-,61-57-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB55887	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB55884	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,48,61H,4-6,9,12-15,18,21-24,27,30-31,33,35,37,40,42-44,46-47,49-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-
HMDB54031	TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39-40,43,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-
HMDB54032	TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-
HMDB44163	TG(16:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-,48-45-
HMDB44162	TG(16:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-
HMDB44161	TG(16:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,43-40-
HMDB44160	TG(16:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,34,56H,4-6,8-9,11-15,17-18,20-24,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-
HMDB44167	TG(16:0/20:3(5Z,8Z,11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,32,35,41,44,56H,4-25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b28-26-,35-32-,44-41-
HMDB44166	TG(16:0/20:3(5Z,8Z,11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27,30,33,39,42,54H,4-24,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b27-25-,33-30-,42-39-
HMDB44165	TG(16:0/20:3(5Z,8Z,11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h25-26,28,31,37,40,52H,4-24,27,29-30,32-36,38-39,41-51H2,1-3H3/b26-25-,31-28-,40-37-
HMDB44164	TG(16:0/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-
HMDB44169	TG(16:0/20:3(5Z,8Z,11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,36,39,45,48,60H,4-25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b28-26-,39-36-,48-45-
HMDB44168	TG(16:0/20:3(5Z,8Z,11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,34,37,43,46,58H,4-25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b28-26-,37-34-,46-43-
HMDB54747	TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,38,41,61H,4-15,17-18,20-24,27,30-31,33,35-37,39-40,42-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,41-38-
HMDB54035	TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,41,44,58H,4-15,18,21-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-,44-41-
HMDB54037	TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,18,21-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB56011	DG(16:0/0:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3
HMDB32935	1-(2-Thienyl)-1-butanone	CCCC(=O)C1=CC=CS1	InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
HMDB32934	3-Butylpyridine	CCCCC1=CC=CN=C1	InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
HMDB32937	4-Chloro-1H-indole-3-acetic acid; Me ester	COC(=O)CC1=CNC2=C1C(Cl)=CC=C2	InChI=1S/C11H10ClNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3
HMDB32936	4-Chloro-1H-indole-3-acetic acid	OC(=O)CC1=CNC2=C1C(Cl)=CC=C2	InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
HMDB32931	2-Benzoxazolol	OC1=NC2=CC=CC=C2O1.O=C1NC2=C(O1)C=CC=C2	InChI=1S/2C7H5NO2/c2*9-7-8-5-3-1-2-4-6(5)10-7/h2*1-4H,(H,8,9)
HMDB32930	Benzothiazole	S1C=NC2=C1C=CC=C2	InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
HMDB32933	2-Methoxy-3-(1-methylpropyl)pyrazine	CCC(C)C1=NC=CN=C1OC	InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3
HMDB32932	Tuberoside C (Ullucus tuberosus)	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-37(65)34(62)32(60)26(19-55)72-45)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-40(75-43-35(63)30(58)24(57)20-70-43)38(66)39(41(76-46)42(67)68)74-44-36(64)33(61)31(59)25(18-54)71-44/h7,23-41,43-46,54-66H,8-21H2,1-6H3,(H,67,68)
HMDB32939	3-(Methylthio)thiophene	CSC1=CSC=C1	InChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3
HMDB32938	Chromone	O=C1C=COC2=C1C=CC=C2	InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
HMDB51608	TG(22:1(13Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51609	TG(22:1(13Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,41,44,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,44-41-
HMDB51829	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,37,42-43,45-46,60H,4-7,10,13-16,19,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB09179	PE(18:3(9Z,12Z,15Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,45H,3-5,7,9-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-/t45-/m1/s1
HMDB09178	PE(18:3(9Z,12Z,15Z)/24:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,45H,3-5,7,9-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-/t45-/m1/s1
HMDB09177	PE(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,43H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1
HMDB09176	PE(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,43H,3-4,9-10,15-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1
HMDB09175	PE(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,43H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1
HMDB09174	PE(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,43H,3-5,7,9-10,15-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1
HMDB09173	PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,43H,3-5,7,9-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,23-18-/t43-/m1/s1
HMDB09172	PE(18:3(9Z,12Z,15Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,43H,3-5,7,9-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-/t43-/m1/s1
HMDB09171	PE(18:3(9Z,12Z,15Z)/22:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1
HMDB09170	PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,28,30,41H,3-4,9-10,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB37268	xi-4-Methyldecane	CCCCCCC(C)CCC	InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3
HMDB37269	Cefapirin, BAN, INN; O-De-Ac	OCC1=C(N2C(SC1)C(NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O	InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)
HMDB37266	2,2,4-Trimethyl-1,3-dioxolane	CC1COC(C)(C)O1	InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3
HMDB37267	xi-3-Methyldecane	CCCCCCCC(C)CC	InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3
HMDB37264	2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	CON1C(=O)C(O)OC2=CC(OC)=CC=C12	InChI=1S/C10H11NO5/c1-14-6-3-4-7-8(5-6)16-10(13)9(12)11(7)15-2/h3-5,10,13H,1-2H3
HMDB37265	HDMBOA-Glc	CON1C(=O)C(OC2OC(CO)C(O)C(O)C2O)OC2=CC(OC)=CC=C12	InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3
HMDB37262	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 9CI; (R)-form, 8-Methoxy, 7-Me ether, 2-O-b-D-glucopyranoside	COC1=CC=C2NC(=O)C(OC3OC(CO)C(O)C(O)C3O)OC2=C1OC	InChI=1S/C16H21NO10/c1-23-7-4-3-6-12(13(7)24-2)26-16(14(22)17-6)27-15-11(21)10(20)9(19)8(5-18)25-15/h3-4,8-11,15-16,18-21H,5H2,1-2H3,(H,17,22)
HMDB37263	HMBOA-Glc	COC1=CC=C2NC(=O)C(OC3OC(CO)C(O)C(O)C3O)OC2=C1	InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)
HMDB37260	3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4'-Di-Me ether, 1-O-b-D-glucopyranoside	COC1=C(OC)C(O)=CC(CC(O)COC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C17H26O10/c1-24-11-5-8(4-10(20)16(11)25-2)3-9(19)7-26-17-15(23)14(22)13(21)12(6-18)27-17/h4-5,9,12-15,17-23H,3,6-7H2,1-2H3
HMDB37261	DHBOA-Glc	OCC1OC(OC2OC3=CC(O)=CC=C3NC2=O)C(O)C(O)C1O	InChI=1S/C14H17NO9/c16-4-8-9(18)10(19)11(20)13(23-8)24-14-12(21)15-6-2-1-5(17)3-7(6)22-14/h1-3,8-11,13-14,16-20H,4H2,(H,15,21)
HMDB51603	TG(22:1(13Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,33,36,41,44,64H,4-15,17-18,20-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,36-33-,44-41-
HMDB59052	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-20,24,28-32,40-41,44,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB14773	Prednisone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
HMDB14772	Sulfacetamide	CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1	InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
HMDB14771	Dexmedetomidine	C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
HMDB14770	Docosanol	CCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
HMDB14777	Butoconazole	ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1	InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2
HMDB14776	Inulin	OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(OC[C@@]6(OC[C@@]7(OC[C@@]8(OC[C@@]9(OC[C@@]%10(OC[C@@]%11(OC[C@@]%12(OC[C@@]%13(OC[C@@]%14(OC[C@@]%15(OC[C@@]%16(OC[C@@]%17(OC[C@@]%18(OC[C@@]%19(OC[C@@]%20(OC[C@@]%21(OC[C@@]%22(OC[C@@]%23(OC[C@@]%24(OC[C@@]%25(OC[C@@]%26(OC[C@@]%27(OC[C@@]%28(OC[C@@]%29(OC[C@@]%30(OC[C@@]%31(OC[C@@]%32(OC[C@@]%33(OC[C@@]%34(OC[C@@]%35(OC[C@@]%36(OC[C@@]%37(O[C@H]%38O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%38O)O[C@H](CO)[C@@H](O)[C@@H]%37O)O[C@H](CO)[C@@H](O)[C@@H]%36O)O[C@H](CO)[C@@H](O)[C@@H]%35O)O[C@H](CO)[C@@H](O)[C@@H]%34O)O[C@H](CO)[C@@H](O)[C@@H]%33O)O[C@H](CO)[C@@H](O)[C@@H]%32O)O[C@H](CO)[C@@H](O)[C@@H]%31O)O[C@H](CO)[C@@H](O)[C@@H]%30O)O[C@H](CO)[C@@H](O)[C@@H]%29O)O[C@H](CO)[C@@H](O)[C@@H]%28O)O[C@H](CO)[C@@H](O)[C@@H]%27O)O[C@H](CO)[C@@H](O)[C@@H]%26O)O[C@H](CO)[C@@H](O)[C@@H]%25O)O[C@H](CO)[C@@H](O)[C@@H]%24O)O[C@H](CO)[C@@H](O)[C@@H]%23O)O[C@H](CO)[C@@H](O)[C@@H]%22O)O[C@H](CO)[C@@H](O)[C@@H]%21O)O[C@H](CO)[C@@H](O)[C@@H]%20O)O[C@H](CO)[C@@H](O)[C@@H]%19O)O[C@H](CO)[C@@H](O)[C@@H]%18O)O[C@H](CO)[C@@H](O)[C@@H]%17O)O[C@H](CO)[C@@H](O)[C@@H]%16O)O[C@H](CO)[C@@H](O)[C@@H]%15O)O[C@H](CO)[C@@H](O)[C@@H]%14O)O[C@H](CO)[C@@H](O)[C@@H]%13O)O[C@H](CO)[C@@H](O)[C@@H]%12O)O[C@H](CO)[C@@H](O)[C@@H]%11O)O[C@H](CO)[C@@H](O)[C@@H]%10O)O[C@H](CO)[C@@H](O)[C@@H]9O)O[C@H](CO)[C@@H](O)[C@@H]8O)O[C@H](CO)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C228H382O191/c229-1-76-114(268)152(306)153(307)191(381-76)419-228(190(344)151(305)113(38-266)418-228)75-380-227(189(343)150(304)112(37-265)417-227)74-379-226(188(342)149(303)111(36-264)416-226)73-378-225(187(341)148(302)110(35-263)415-225)72-377-224(186(340)147(301)109(34-262)414-224)71-376-223(185(339)146(300)108(33-261)413-223)70-375-222(184(338)145(299)107(32-260)412-222)69-374-221(183(337)144(298)106(31-259)411-221)68-373-220(182(336)143(297)105(30-258)410-220)67-372-219(181(335)142(296)104(29-257)409-219)66-371-218(180(334)141(295)103(28-256)408-218)65-370-217(179(333)140(294)102(27-255)407-217)64-369-216(178(332)139(293)101(26-254)406-216)63-368-215(177(331)138(292)100(25-253)405-215)62-367-214(176(330)137(291)99(24-252)404-214)61-366-213(175(329)136(290)98(23-251)403-213)60-365-212(174(328)135(289)97(22-250)402-212)59-364-211(173(327)134(288)96(21-249)401-211)58-363-210(172(326)133(287)95(20-248)400-210)57-362-209(171(325)132(286)94(19-247)399-209)56-361-208(170(324)131(285)93(18-246)398-208)55-360-207(169(323)130(284)92(17-245)397-207)54-359-206(168(322)129(283)91(16-244)396-206)53-358-205(167(321)128(282)90(15-243)395-205)52-357-204(166(320)127(281)89(14-242)394-204)51-356-203(165(319)126(280)88(13-241)393-203)50-355-202(164(318)125(279)87(12-240)392-202)49-354-201(163(317)124(278)86(11-239)391-201)48-353-200(162(316)123(277)85(10-238)390-200)47-352-199(161(315)122(276)84(9-237)389-199)46-351-198(160(314)121(275)83(8-236)388-198)45-350-197(159(313)120(274)82(7-235)387-197)44-349-196(158(312)119(273)81(6-234)386-196)43-348-195(157(311)118(272)80(5-233)385-195)42-347-194(156(310)117(271)79(4-232)384-194)41-346-193(155(309)116(270)78(3-231)383-193)40-345-192(39-267)154(308)115(269)77(2-230)382-192/h76-191,229-344H,1-75H2/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152+,153-,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228+/m1/s1
HMDB14775	Astemizole	COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1	InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
HMDB14774	Clofibrate	CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1	InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
HMDB14779	Simvastatin	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
HMDB37888	4-Butyl-2-ethyl-5-methyloxazole	CCCCC1=C(C)OC(CC)=N1	InChI=1S/C10H17NO/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3
HMDB37889	5-Ethyl-4-methyl-2-pentyloxazole	CCCCCC1=NC(C)=C(CC)O1	InChI=1S/C11H19NO/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3
HMDB37882	5-Butyl-2,4-dimethyloxazole	CCCCC1=C(C)N=C(C)O1	InChI=1S/C9H15NO/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H2,1-3H3
HMDB37883	2,4-Diethyl-5-propyloxazole	CCCC1=C(CC)N=C(CC)O1	InChI=1S/C10H17NO/c1-4-7-9-8(5-2)11-10(6-3)12-9/h4-7H2,1-3H3
HMDB37880	2-Isobutyl-4,5-dimethyloxazole	CC(C)CC1=NC(C)=C(C)O1	InChI=1S/C9H15NO/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
HMDB37881	4-Ethyl-5-methyl-2-propyloxazole	CCCC1=NC(CC)=C(C)O1	InChI=1S/C9H15NO/c1-4-6-9-10-8(5-2)7(3)11-9/h4-6H2,1-3H3
HMDB37886	2-Butyl-4-ethyl-5-methyloxazole	CCCCC1=NC(CC)=C(C)O1	InChI=1S/C10H17NO/c1-4-6-7-10-11-9(5-2)8(3)12-10/h4-7H2,1-3H3
HMDB37887	4,5-Dimethyl-2-pentyloxazole	CCCCCC1=NC(C)=C(C)O1	InChI=1S/C10H17NO/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3
HMDB37884	2-Butyl-5-ethyl-4-methyloxazole	CCCCC1=NC(C)=C(CC)O1	InChI=1S/C10H17NO/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3
HMDB37885	5-Butyl-4-ethyl-2-methyloxazole	CCCCC1=C(CC)N=C(C)O1	InChI=1S/C10H17NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h4-7H2,1-3H3
HMDB38968	1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide	CCC(SS\C=C\C)S(=O)\C=C/C	InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4+,8-5-
HMDB38969	Dodecyl acetate	CCCCCCCCCCCCOC(C)=O	InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
HMDB38964	4,6-Heptadiyne-1,3-diol; 1-O-b-D-Glucopyranoside	OCC1OC(OCCC(O)C#CC#C)C(O)C(O)C1O	InChI=1S/C13H18O7/c1-2-3-4-8(15)5-6-19-13-12(18)11(17)10(16)9(7-14)20-13/h1,8-18H,5-7H2
HMDB38965	(E)-10-Hydroxy-2-decene-4,6-diynoic acid	OCCCC#CC#C\C=C\C(O)=O	InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,5,7,9H2,(H,12,13)/b8-6+
HMDB38966	9,17-Octadecadiene-12,14-diyne-1,11,16-triol, 9CI; (9Z,11S,16S)-form, 1-Ac	CC(=O)OCCCCCCCC\C=C\C(O)C#CC#CC(O)C=C	InChI=1S/C20H28O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h3,10,15,19-20,22-23H,1,4-9,13,17H2,2H3/b15-10+
HMDB38967	1-Propenyl 1-(1-propenylthio)propyl disulfide	CCC(SS\C=C\C)S\C=C/C	InChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4-,8-5+
HMDB38960	Zeanoside C	OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(O)=O)C(O)C(O)C1O	InChI=1S/C16H19NO10/c18-5-8-11(21)12(22)13(23)14(27-8)26-7-3-1-2-6-10(7)17-15(24)16(6,25)4-9(19)20/h1-3,8,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)
HMDB38961	N-[2-(1H-Indol-3-yl)ethyl]docosanamide	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C32H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h21-24,28,34H,2-20,25-27H2,1H3,(H,33,35)
HMDB38962	2-Methyl-2-butenoic acid; (E)-form, Et ester	CCOC(=O)C(\C)=C\C	InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
HMDB38963	4,6-Heptadiyne-1,3-diol	OCCC(O)C#CC#C	InChI=1S/C7H8O2/c1-2-3-4-7(9)5-6-8/h1,7-9H,5-6H2
HMDB36131	Furanoeremophilane-3,6-diol; (3b,6b)-form, 6-O-Angeloyl, 3-(3-methylthio-2Z-propenoyl)	CS\C=C\C(=O)OC1CCC2CC3=C(C(OC(=O)C(\C)=C\C)C2(C)C1C)C(C)=CO3	InChI=1S/C24H32O5S/c1-7-14(2)23(26)29-22-21-15(3)13-27-19(21)12-17-8-9-18(16(4)24(17,22)5)28-20(25)10-11-30-6/h7,10-11,13,16-18,22H,8-9,12H2,1-6H3/b11-10+,14-7+
HMDB36130	Vulgarin	CC1C2CCC3(C)C(C2OC1=O)C(C)(O)C=CC3=O	InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3
HMDB36133	3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol	CC(C)C1CCC(C)CC1OCC(O)CO	InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3
HMDB36132	2,5-Diethyl-3-methylpyrazine	CCC1=NC(C)=C(CC)N=C1	InChI=1S/C9H14N2/c1-4-8-6-10-9(5-2)7(3)11-8/h6H,4-5H2,1-3H3
HMDB36135	3-Epiarmefolin	CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1O	InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9-11,13,16-17H,1,4-6H2,2-3H3
HMDB36134	4-[(2-Furanylmethyl)thio]-2-pentanone	CC(CC(C)=O)SCC1=CC=CO1	InChI=1S/C10H14O2S/c1-8(11)6-9(2)13-7-10-4-3-5-12-10/h3-5,9H,6-7H2,1-2H3
HMDB36137	Acetyldeoxynivalenol	CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)C(=O)C(O)C21CO	InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3
HMDB36136	4-Ethyloctanoic acid	CCCCC(CC)CCC(O)=O	InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
HMDB36139	Menthone 1,2-glyceryl ketal	CC(C)C1CCC(C)CC11OCC(CO)O1	InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-8-11(7-14)16-13/h9-12,14H,4-8H2,1-3H3
HMDB36138	Tetrahydro-2-methyl-3-furanthiol	CC1OCCC1S	InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3
HMDB42239	TG(14:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,39-36-,48-45-
HMDB42238	TG(14:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,39-36-
HMDB50979	TG(20:3(5Z,8Z,11Z)/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,42,45,51,54,68H,4-24,26,29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b28-25-,30-27-,45-42-,54-51-
HMDB32701	Ammonium alum	[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O	InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3
HMDB51226	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB59055	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,47-48,52,55,59,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46,49-51,53-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,47-45-,52-48-,59-55-/t81?,82-,83-/m1/s1
HMDB13202	6-Keto-decanoylcarnitine	CCCCC(=O)CCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C17H31NO5/c1-5-6-9-14(19)10-7-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3
HMDB50978	TG(20:3(5Z,8Z,11Z)/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,40,43,49,52,66H,4-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b29-26-,30-27-,43-40-,52-49-
HMDB13200	5-Hydroxytryptophol glucuronide	OCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2	InChI=1S/C16H21NO7/c18-4-3-8-6-17-11-2-1-9(5-10(8)11)23-16-15(22)14(21)13(20)12(7-19)24-16/h1-2,5-6,12-22H,3-4,7H2/t12-,13-,14+,15-,16+/m1/s1
HMDB13206	9-Decenoylcholine	C[N+](C)(C)CCOC(=O)CCCCCCCC=C	InChI=1S/C15H30NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5H,1,6-14H2,2-4H3/q+1
HMDB13207	9-Hexadecenoylcarnitine	CCCCCC\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(24(2,3)4)19-20-22(25)26/h10-11,21H,5-9,12-20H2,1-4H3/b11-10-/t21-/m0/s1
HMDB13204	6-Succinoaminopurine	OC(=O)CCC(=O)NC1=C2NC=NC2=NC=N1	InChI=1S/C9H9N5O3/c15-5(1-2-6(16)17)14-9-7-8(11-3-10-7)12-4-13-9/h3-4H,1-2H2,(H,16,17)(H2,10,11,12,13,14,15)
HMDB13205	9-Decenoylcarnitine	C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCC=C	InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h5,15H,1,6-14H2,2-4H3
HMDB13208	9-Hexadecenoylcholine	CCCCCC\C=C\CCCCCCCC(=O)OCC[N+](C)(C)C	InChI=1S/C21H42NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22(2,3)4/h10-11H,5-9,12-20H2,1-4H3/q+1/b11-10+
HMDB13209	Alanyltryptophan	C[C@H](N)C(=O)N[C@@H](CC1=CC2=C(N1)C=CC=C2)C(O)=O	InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)7-10-6-9-4-2-3-5-11(9)16-10/h2-6,8,12,16H,7,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1
HMDB51227	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB51225	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-39,43-48,60H,4-6,8-9,11-15,17,20,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB51222	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32-34,36-37,42-43,45-46,58H,4-8,10-11,13-16,19,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB51223	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32-34,36-38,41-43,45-46,58H,4-8,10-11,13-16,19,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB39376	Dihydrophaseic acid; Me ester	COC(=O)\C=C(/C)\C=C\C1(O)C2(C)COC1(C)CC(O)C2	InChI=1S/C16H24O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,12,17,19H,8-10H2,1-4H3/b6-5+,11-7+
HMDB39377	2-(3,4-Dihydroxybenzyl)-2,6-dihydroxy-3(2H)-benzofuranone; (+)-form, 4'-Me ether	COC1=C(O)C=C(CC2(O)OC3=CC(O)=CC=C3C2=O)C=C1	InChI=1S/C16H14O6/c1-21-13-5-2-9(6-12(13)18)8-16(20)15(19)11-4-3-10(17)7-14(11)22-16/h2-7,17-18,20H,8H2,1H3
HMDB39374	Quercetin 3,7-diglycosides; 3-O-[6-O-Acetyl-b-D-galactopyranoside], 7-O-a-L-rhamnopyranoside	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C(OC2([H])OC([H])(C([H])([H])OC(=O)C([H])([H])[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C(=O)C2=C(O1)C([H])=C(OC1([H])OC([H])(C([H])([H])[H])C([H])(O[H])C([H])(O[H])C1([H])O[H])C([H])=C2O[H]	InChI=1S/C29H32O17/c1-9-19(34)22(37)24(39)28(42-9)43-12-6-15(33)18-16(7-12)44-26(11-3-4-13(31)14(32)5-11)27(21(18)36)46-29-25(40)23(38)20(35)17(45-29)8-41-10(2)30/h3-7,9,17,19-20,22-25,28-29,31-35,37-40H,8H2,1-2H3
HMDB39375	Hyperin, 8CI; 6''-O-[b-D-Glucopyranosyl-(1-&gt;3)-a-L-rhamnopyranosyl]	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1
HMDB39372	Degalloylrugosin F	OC1OC2COC(=O)C3=CC(OC4=C(C=C(O)C(O)=C4O)C(=O)OC4OC5COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC5C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C4OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC12	InChI=1S/C75H52O48/c76-23-1-14(2-24(77)42(23)86)65(102)119-62-60-35(13-113-67(104)16-5-27(80)44(88)51(95)36(16)37-17(70(107)118-60)6-28(81)45(89)52(37)96)116-75(64(62)122-66(103)15-3-25(78)43(87)26(79)4-15)123-73(110)22-10-32(85)49(93)57(101)58(22)114-33-11-21-41(56(100)50(33)94)40-18(7-29(82)48(92)55(40)99)69(106)117-59-34(12-112-68(21)105)115-74(111)63-61(59)120-71(108)19-8-30(83)46(90)53(97)38(19)39-20(72(109)121-63)9-31(84)47(91)54(39)98/h1-11,34-35,59-64,74-101,111H,12-13H2
HMDB39373	Hyperin, 8CI; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl)	CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)
HMDB39370	3-O-Galloylhamamelitannin	OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2
HMDB39371	1,2',3,5-Tetra-O-galloylhamamelofuranose	OC1=CC(=CC(O)=C1O)C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C34H28O22/c35-15-1-11(2-16(36)24(15)43)29(47)52-9-23-28(55-31(49)13-5-19(39)26(45)20(40)6-13)34(51,10-53-30(48)12-3-17(37)25(44)18(38)4-12)33(54-23)56-32(50)14-7-21(41)27(46)22(42)8-14/h1-8,23,28,33,35-46,51H,9-10H2
HMDB39378	Isolindleyin	CC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1	InChI=1S/C23H26O11/c1-11(25)2-3-12-4-6-14(7-5-12)32-23-21(20(30)19(29)17(10-24)33-23)34-22(31)13-8-15(26)18(28)16(27)9-13/h4-9,17,19-21,23-24,26-30H,2-3,10H2,1H3
HMDB39379	Chrysaloin	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1OC(CO)C(O)C(O)C1O	InChI=1S/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3
HMDB56949	CL(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37-38,44,46,54,58,75-77,82H,5-20,22-24,26-32,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB47359	TG(24:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,40,46,49,66H,4-8,10-11,13-17,19-20,22-25,28,30-39,41-45,47-48,50-65H2,1-3H3/b12-9-,21-18-,29-26-,40-27-,49-46-
HMDB51221	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-15,17,20,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB28950	Lysyl-Glutamate	NCCCCC(NC(=O)C(N)CCC([O-])=O)C(O)=O	InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-10(17)7(13)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/p-1
HMDB28951	Lysyl-Glycine	NCCCCC(NC(=O)CN)C(O)=O	InChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)
HMDB28952	Lysyl-Hydroxyproline	NCCCCC(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C11H21N3O4/c12-4-2-1-3-8(11(17)18)14-10(16)9-5-7(15)6-13-9/h7-9,13,15H,1-6,12H2,(H,14,16)(H,17,18)
HMDB28953	Lysyl-Histidine	NCCCCC(NC(=O)C(N)CC1=CN=CN1)C(O)=O	InChI=1S/C12H21N5O3/c13-4-2-1-3-10(12(19)20)17-11(18)9(14)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)
HMDB28954	Lysyl-Isoleucine	CCC(C)C(N)C(=O)NC(CCCCN)C(O)=O	InChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)
HMDB28955	Lysyl-Leucine	CC(C)CC(N)C(=O)NC(CCCCN)C(O)=O	InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)
HMDB28956	Lysyl-Lysine	NCCCCC(N)C(=O)NC(CCCCN)C(O)=O	InChI=1S/C12H26N4O3/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)
HMDB28957	Lysyl-Methionine	CSCCC(N)C(=O)NC(CCCCN)C(O)=O	InChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)
HMDB28958	Lysyl-Phenylalanine	NCCCCC(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O	InChI=1S/C15H23N3O3/c16-9-5-4-8-13(15(20)21)18-14(19)12(17)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,16-17H2,(H,18,19)(H,20,21)
HMDB28959	Lysyl-Proline	NCCCCC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C11H21N3O3/c12-6-2-1-4-9(11(16)17)14-10(15)8-5-3-7-13-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)
HMDB47358	TG(24:0/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,40,66H,4-8,10-11,13-17,19-20,22-25,28,30-39,41-65H2,1-3H3/b12-9-,21-18-,29-26-,40-27-
HMDB11114	OPC6-CoA	CC\C=C/C[C@@H]1C(=O)CCC1CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-/t23?,24-,26+,30?,31-,32-,36+/m0/s1
HMDB11115	OPC8-CoA	CC\C=C/C[C@@H]1C(=O)CCC1CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H64N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,23-26,28,32-34,38,50-51H,4,6-8,10-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-/t25?,26-,28+,32?,33-,34-,38+/m0/s1
HMDB11116	Phytyl diphosphate	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C20H42O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+
HMDB11117	Se-Adenosylselenohomocysteine	NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O	InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13+/m1/s1
HMDB11110	Hydrogen selenide	[SeH2]	InChI=1S/H2Se/h1H2
HMDB11111	Malonic semialdehyde	OC(=O)CC=O	InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)
HMDB11112	N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole	CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](CO)C(O)C1O	InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12?,13?,14+/m1/s1
HMDB11113	OPC4-CoA	CC\C=C/C[C@@H]1C(=O)CCC1CCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H56N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-6,19-22,24,28-30,34,46-47H,4,7-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-/t21?,22-,24+,28?,29-,30-,34+/m0/s1
HMDB56894	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB11118	Se-Adenosylselenomethionine	C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1
HMDB11119	Selenite	[O-][Se]([O-])=O	InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2
HMDB56895	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB34519	Theasapogenol A	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O	InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3
HMDB34518	Theasapogenol E	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O	InChI=1S/C30H48O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,15,18-24,32-36H,8-14,16H2,1-6H3
HMDB51520	TG(22:1(13Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-
HMDB34511	Oleanolic aldehyde	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C=O	InChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3
HMDB34510	Erythrodiol 3-decanoate	CCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC32C)C1(C)C	InChI=1S/C40H68O3/c1-9-10-11-12-13-14-15-16-34(42)43-33-20-21-37(6)31(36(33,4)5)19-22-39(8)32(37)18-17-29-30-27-35(2,3)23-25-40(30,28-41)26-24-38(29,39)7/h17,30-33,41H,9-16,18-28H2,1-8H3
HMDB34513	Miliacin	COC1CCC2(C)C(CCC3(C)C2CCC2C4=CC(C)(C)CCC4(C)CCC32C)C1(C)C	InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3
HMDB34512	Liquoric acid	[H][C@@]12C[C@](C)([C@H]3C[C@]1(C)[C@@H](C[C@]1(C)C2=CC(=O)C2[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]12C)O3)C(O)=O	InChI=1S/C30H44O5/c1-25(2)19-8-11-29(6)23(26(19,3)10-9-20(25)32)18(31)12-16-17-13-28(5,24(33)34)21-14-27(17,4)22(35-21)15-30(16,29)7/h12,17,19-23,32H,8-11,13-15H2,1-7H3,(H,33,34)/t17-,19?,20-,21+,22+,23?,26-,27-,28+,29+,30+/m0/s1
HMDB34515	Glabrolide	CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C1C2	InChI=1S/C30H44O4/c1-25(2)20-8-11-30(7)23(28(20,5)10-9-21(25)32)19(31)14-17-18-15-26(3)16-22(34-24(26)33)27(18,4)12-13-29(17,30)6/h14,18,20-23,32H,8-13,15-16H2,1-7H3
HMDB34514	18-Oleanen-3-ol; 3b-form, O-Cinnamoyl	CC1(C)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(=O)\C=C\C6=CC=CC=C6)C(C)(C)C5CCC34C)C2=C1	InChI=1S/C39H56O2/c1-34(2)22-23-36(5)24-25-38(7)28(29(36)26-34)15-16-31-37(6)20-19-32(35(3,4)30(37)18-21-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-14,17,26,28,30-32H,15-16,18-25H2,1-8H3/b17-14+
HMDB34517	beta-Glycyrrhetinic acid	[H][C@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1
HMDB34516	3-Hydroxy-11-oxo-12-oleanen-30-oic acid; (3b,18b)-form, Me ester	COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1	InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3
HMDB38429	Methyl glucosinolate	C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/b9-3+
HMDB38428	2-Hydroxypropyl glucosinolate	CC(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C10H19NO10S2/c1-4(13)2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(3-12)20-10/h4-5,7-10,12-16H,2-3H2,1H3,(H,17,18,19)/b11-6+
HMDB56899	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)101-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB38421	2-Methylpropyl glucosinolate	CC(C)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C11H21NO9S2/c1-5(2)3-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(4-13)20-11/h5-6,8-11,13-16H,3-4H2,1-2H3,(H,17,18,19)/b12-7+
HMDB38420	4-Methylpentyl glucosinolate	CC(C)CCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C13H25NO9S2/c1-7(2)4-3-5-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(6-15)22-13/h7-8,10-13,15-18H,3-6H2,1-2H3,(H,19,20,21)/b14-9+
HMDB38423	Gluconasturtiin	OCC1OC(S\C(CCC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11+
HMDB38422	3-Phenylpropyl glucosinolate	OCC1OC(S\C(CCCC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C16H23NO9S2/c18-9-11-13(19)14(20)15(21)16(25-11)27-12(17-26-28(22,23)24)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13-16,18-21H,4,7-9H2,(H,22,23,24)/b17-12+
HMDB38425	6-Heptenyl glucosinolate	OCC1OC(S\C(CCCCCC=C)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C14H25NO9S2/c1-2-3-4-5-6-7-10(15-24-26(20,21)22)25-14-13(19)12(18)11(17)9(8-16)23-14/h2,9,11-14,16-19H,1,3-8H2,(H,20,21,22)/b15-10+
HMDB38424	Hexyl glucosinolate	CCCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C13H25NO9S2/c1-2-3-4-5-6-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9+
HMDB38427	Gluconapin	OCC1OC(S\C(CCC=C)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/b12-7+
HMDB38426	Butyl glucosinolate	CCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C11H21NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/b12-7+
HMDB58876	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,42,44-46,48,50,52,54,60,62,64,66,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,47,49,51,53,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,52-48-,54-50-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB51305	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-32,34,36,38-41,43,56H,4-8,10-11,13-16,19,22-24,29,33,35,37,42,44-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB56824	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,42-47,52-54,56-58,65-66,69-70,85-87,92H,5-8,10-12,14-20,24,28-32,39-41,48-51,55,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB49553	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-
HMDB49552	TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,40-41,43-44,50,53,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-
HMDB15494	Alizapride	COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C	InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)
HMDB51307	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-36,40,42-43,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,37-39,41,44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,45-42-
HMDB58210	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,28-30,32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB49559	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,33,58H,4-8,10-11,13-17,19,22,24,26,29-32,34-57H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-
HMDB58212	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58213	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58214	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58215	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58216	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB49558	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,31-32,34,40,43,56H,4-8,10-11,13-17,19,22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,34-32-,43-40-
HMDB58218	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-67,70-71,87-89,94H,5-10,12-14,16-20,24,29-31,36,40-42,49-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB58219	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-10,12-14,16-20,24,29-31,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB10247	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-40,75-77,82H,5-20,24,28-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,40-36-/t75?,76-,77-/m1/s1
HMDB10246	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,75-77,82H,5-20,24,29-31,36,40-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-/t75?,76-,77-/m1/s1
HMDB10245	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,73-75,80H,5-20,24,29-31,39-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10244	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,73-75,80H,5-20,24,28-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10243	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25,27,33-40,75-77,82H,5-20,22,24,26,28-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,37-33-,38-34-,39-35-,40-36-/t75?,76-,77-/m1/s1
HMDB10242	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25,27-28,32-35,37-39,75-77,82H,5-20,22,24,26,29-31,36,40-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,32-28-,37-33-,38-34-,39-35-/t75?,76-,77-/m1/s1
HMDB10241	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22-23,26-28,32-38,73-75,80H,5-21,24-25,29-31,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,27-23-,32-28-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB10240	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,33-38,73-75,80H,5-21,24-25,28-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,27-23-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB51306	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,31,33,35,39,41-42,44,57H,4-8,10-11,13,15-16,19-20,22,24,29-30,32,34,36-38,40,43,45-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-,44-41-
HMDB46880	TG(22:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,40,43,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-39,41-42,44-58H2,1-3H3/b12-9-,21-18-,33-27-,43-40-
HMDB10249	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-28,33-40,75-77,82H,5-10,12-14,16-20,29-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-/t75?,76-,77-/m1/s1
HMDB10248	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,47,51,75-77,82H,5-20,29-32,41-46,48-50,52-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,51-47-/t75?,76-,77-/m1/s1
HMDB51301	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-36,40-45,58H,4-8,10-11,13-17,19-20,22-24,30-31,37-39,46-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB56828	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-8,10-12,14-20,24,28-32,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB53962	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-
HMDB51300	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,34,40,43,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,34-32-,43-40-
HMDB51303	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36-37,39,44-45,47-48,62H,4-8,10-11,13-17,19-20,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB49911	TG(18:1(9Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-28,32-33,58H,4-15,17-18,20-24,29-31,34-57H2,1-3H3/b19-16-,28-25-,32-26-,33-27-
HMDB47353	TG(24:0/24:1(15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,42,45,68H,4-17,19-20,22-25,28,31-41,43-44,46-67H2,1-3H3/b21-18-,29-26-,30-27-,45-42-
HMDB49913	TG(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-33,36,39,45,48,58H,4-15,17-18,20-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-
HMDB49915	TG(18:1(9Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,54H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-
HMDB49916	TG(18:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-32,34,56H,4-6,8-9,11-15,17-18,20-24,29,33,35-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,31-27-,34-32-
HMDB52515	TG(18:2(9Z,12Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(55)58-51-52(59-54(56)48-45-42-39-36-32-21-18-15-12-9-6-3)50-57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,26,28,52H,4-14,16-17,20-21,23-25,27,29-51H2,1-3H3/b18-15-,22-19-,28-26-
HMDB51302	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34-35,37,42-43,45-46,60H,4-8,10-11,13-17,19-20,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB52517	TG(18:2(9Z,12Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,19-22,24,26-29,33,36,53H,4-16,18,23,25,30-32,34-35,37-52H2,1-3H3/b20-17-,22-19-,24-21-,28-26-,29-27-,36-33-
HMDB52516	TG(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19-24,27-30,54H,4-18,25-26,31-53H2,1-3H3/b22-19-,23-20-,24-21-,29-27-,30-28-
HMDB52511	TG(18:2(9Z,12Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-30,32,53H,4-6,8-9,11-14,17,21-22,25,28,31,33-52H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-27-,32-30-
HMDB52510	TG(18:2(9Z,12Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25-28,32,34,51H,4-7,9-10,12-14,16,21,23-24,29-31,33,35-50H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,28-26-,34-32-
HMDB52513	TG(18:2(9Z,12Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-31,34,37,55H,4-6,8-9,11-14,17,21-22,25,28,32-33,35-36,38-54H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-
HMDB52512	TG(18:2(9Z,12Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-30,32,37,40,53H,4-6,8-9,11-14,17,21-22,25,28,31,33-36,38-39,41-52H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-27-,32-30-,40-37-
HMDB52519	TG(18:2(9Z,12Z)/16:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-31,34,55H,4-15,17-18,22,26,29,32-33,35-54H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-28-,34-31-
HMDB52518	TG(18:2(9Z,12Z)/16:1(9Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,20-25,28,30,54H,4-12,14-15,17-19,26-27,29,31-53H2,1-3H3/b16-13-,23-20-,24-21-,25-22-,30-28-
HMDB47352	TG(24:0/24:1(15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C70H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,67H,4-14,16-17,19-23,25,28,30-66H2,1-3H3/b18-15-,27-24-,29-26-
HMDB48296	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,32,35-36,39,54H,4-6,9,12-14,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-
HMDB48291	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,32,35-36,39,41,44,54H,4-7,9-10,12-14,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-
HMDB48290	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,32,35-36,39,54H,4-7,9-10,12-14,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-
HMDB56677	CL(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-40,42,50,54,75-77,82H,5-20,22-24,26-32,37,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,38-34-,39-35-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB51154	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-36,38-39,42,44,47,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,47-44-
HMDB51155	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-36,38-39,42,44,47-48,51,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,47-44-,51-48-
HMDB51156	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32-33,35,41,44,58H,4-19,21-22,24,26-27,30-31,34,36-40,42-43,45-57H2,1-3H3/b23-20-,28-25-,32-29-,35-33-,44-41-
HMDB51157	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-36,40-45,58H,4-17,19-20,22-24,30-31,37-39,46-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB51150	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-33,35,41,44,57H,4-8,10-11,13-17,19,22,24,26,30,34,36-40,42-43,45-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,44-41-
HMDB51151	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-33,35,37,40-41,44,57H,4-8,10-11,13-17,19,22,24,26,30,34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-,44-41-
HMDB51152	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33-37,43,46,59H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,46-43-
HMDB51153	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33-37,42-43,45-46,59H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,38-41,44,47-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,45-42-,46-43-
HMDB51158	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34-35,37,42-43,45-46,60H,4-17,19-20,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB51159	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36-37,39,44-45,47-48,62H,4-17,19-20,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB54176	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,46,49,63H,4-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b20-17-,28-25-,29-26-,40-37-,49-46-
HMDB07848	DG(24:1(15Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,49,52H,3-16,21-48H2,1-2H3/b19-17-,20-18-/t49-/m0/s1
HMDB41858	clobenzorex	CC(CC1=CC=CC=C1)NCC1=CC=CC=C1Cl	InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3
HMDB41850	cefodizime	[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O	InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
HMDB41851	cefpimizole	[H][C@](N=C(O)C1=C(NC=N1)C(O)=O)(C(O)=N[C@]1([H])C(=O)N2C(C(O)=O)=C(C[N+]3=CC=C(CCS([O-])(=O)=O)C=C3)CS[C@]12[H])C1=CC=CC=C1	InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1
HMDB41852	cefpirome	[H][C@]12SCC(C[N+]3=CC=CC4=C3CCC4)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C([O-])=O	InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1
HMDB41855	chlorobenzene	ClC1=CC=CC=C1	InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
HMDB41856	chlorpyrifos	CCOP(=S)(OCC)OC1=C(Cl)C=C(Cl)C(Cl)=N1	InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
HMDB41857	citrinin	[H][C@]1(C)OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@]1([H])C	InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
HMDB49099	TG(18:1(11Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,27,29,52H,4-18,21,24-26,28,30-51H2,1-3H3/b22-19-,23-20-,29-27-
HMDB12268	N5-Carboxyaminoimidazole ribonucleotide	OC1C(COP(O)(O)=O)OC(C1O)N1C=NC=C1NC(O)=O	InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)
HMDB12267	N-Succinyl-L,L-2,6-diaminopimelate	NC(CCC[C@H](NC(=O)CCC(O)=O)C(O)=O)C(O)=O	InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6?,7-/m0/s1
HMDB12266	N-Succinyl-2-amino-6-ketopimelate	OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O	InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1
HMDB12265	N-Carbamoylsarcosine	CN(CC(O)=O)C(O)=N	InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8)
HMDB12264	N-Acetylglucosaminyl-diphosphodolichol	OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O	InChI=1S/C88H147NO12P2/c1-67(2)34-19-35-68(3)36-20-37-69(4)38-21-39-70(5)40-22-41-71(6)42-23-43-72(7)44-24-45-73(8)46-25-47-74(9)48-26-49-75(10)50-27-51-76(11)52-28-53-77(12)54-29-55-78(13)56-30-57-79(14)58-31-59-80(15)60-32-61-81(16)62-33-63-82(17)64-65-98-102(94,95)101-103(96,97)100-88-85(89-83(18)91)87(93)86(92)84(66-90)99-88/h34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,82,84-88,90,92-93H,19-33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-66H2,1-18H3,(H,89,91)(H,94,95)(H,96,97)/b68-36+,69-38+,70-40+,71-42+,72-44+,73-46+,74-48+,75-50+,76-52+,77-54+,78-56+,79-58+,80-60+,81-62+/t82?,84-,85-,86-,87-,88+/m1/s1
HMDB12262	Molybdopterin-AMP	NC1=NC2=C(NC3C(N2)OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC4=C2N=CN=C4N)C(S)=C3S)C(=O)N1	InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)
HMDB12261	Molybdenum cofactor (sulfide)	NC1=NC2=C(NC3C(N2)OC(COP(O)(O)=O)C2=C3S[Mo](=O)(=S)S2)C(=O)N1	InChI=1S/C10H14N5O6PS2.Mo.O.S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2
HMDB12260	Molybdate	O[Mo](O)(=O)=O	InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2
HMDB56511	CL(16:0/18:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,73-75,80H,5-24,26,28,30,32-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,31-27-/t73?,74-,75-/m1/s1
HMDB56510	CL(16:0/18:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,29,73-75,80H,5-24,26-28,30-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-/t73?,74-,75-/m1/s1
HMDB56513	CL(16:0/18:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71?,72-,73-/m1/s1
HMDB56512	CL(16:0/18:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,29,35,38,73-75,80H,5-24,26-28,30-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,38-35-/t73?,74-,75-/m1/s1
HMDB56515	CL(16:0/18:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27,31,33,36,73-75,80H,5-26,28-30,32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,36-33-/t73?,74-,75-/m1/s1
HMDB56514	CL(16:0/18:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h33,36,73-75,80H,5-32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b36-33-/t73?,74-,75-/m1/s1
HMDB53749	TG(20:3n6/16:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,56H,4-15,18,22-23,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-
HMDB53748	TG(20:3n6/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,53H,4-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-
HMDB53747	TG(20:3n6/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,43,46,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-
HMDB53746	TG(20:3n6/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB53745	TG(20:3n6/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,37,40,54H,4-6,8-9,11-14,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-
HMDB53744	TG(20:3n6/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,54H,4-6,8-9,11-14,21-23,28-29,34-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB53743	TG(20:3n6/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,33,35,52H,4-7,9-10,12-14,21-23,27,30,32,34,36-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-
HMDB53742	TG(20:3n6/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,52H,4-7,9-10,12-14,21-23,27,30,32-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-
HMDB53741	TG(20:3n6/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,43,46,56H,4-14,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-
HMDB53740	TG(20:3n6/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,56H,4-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB41588	2,6,10-Trimethyldodecanoic acid	CCC(C)CCCC(C)CCCC(C)C(O)=O	InChI=1S/C15H30O2/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15(16)17/h12-14H,5-11H2,1-4H3,(H,16,17)
HMDB41589	alpha-Kessyl alcohol	CC1CC(O)C2C1CC1CCC2(C)OC1(C)C	InChI=1S/C15H26O2/c1-9-7-12(16)13-11(9)8-10-5-6-15(13,4)17-14(10,2)3/h9-13,16H,5-8H2,1-4H3
HMDB41586	Macrocarpal H	CC(C)CC(C1CCC(=C)C2CC(CCC12C)C(C)(C)O)C1=C(O)C(C=O)=C(O)C(C=O)=C1O	InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3
HMDB41587	Macrocarpal I	CC(C)CC(C1CCC(C)(O)C2CC(CCC12C)C(C)(C)O)C1=C(O)C(C=O)=C(O)C(C=O)=C1O	InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3
HMDB41584	3-Hydroxy-p-mentha-1,8-dien-7-al	CC(=C)C1CCC(C=O)=CC1O	InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5-6,9-10,12H,1,3-4H2,2H3
HMDB41585	Tussilagonone	CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(CC(=O)\C2=C/C)C1=C	InChI=1S/C21H30O3/c1-7-13(5)9-20(23)24-19-11-16(12(3)4)21-15(8-2)18(22)10-17(21)14(19)6/h8-9,12,16-17,19,21H,6-7,10-11H2,1-5H3/b13-9+,15-8+
HMDB41582	Sapidolide A	CC12C3CCC1(O)C1C(C=C)C(OC1=O)C2(O)OC3	InChI=1S/C14H18O5/c1-3-8-9-11(15)19-10(8)14(17)12(2)7(6-18-14)4-5-13(9,12)16/h3,7-10,16-17H,1,4-6H2,2H3
HMDB41583	Setariol	CC(CO)CCCC(=C)C1CCC2(O)C3=CCC4CC(O)CCC44CC34CCC12C	InChI=1S/C27H42O3/c1-18(16-28)5-4-6-19(2)22-10-12-27(30)23-8-7-20-15-21(29)9-11-25(20)17-26(23,25)14-13-24(22,27)3/h8,18,20-22,28-30H,2,4-7,9-17H2,1,3H3
HMDB41580	4-Megastigmene-6,9-diol; (6a,9R)-form, 9-O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(CCC1(O)C(C)=CCCC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3
HMDB41581	Cucurbitachrome 1	C\C(\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(43-40)27-39(40,10)42)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)25-38(35,9)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+
HMDB50207	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-32,35-36,39,56H,4-6,8-9,11-15,18,21-24,29,33-34,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-
HMDB50206	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-33,36,57H,4-6,8-9,11-15,17-18,21-22,24,26,30,34-35,37-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,32-29-,36-33-
HMDB50205	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,36,38,41,62H,4-7,9-10,12-16,18-19,21-24,30-35,37,39-40,42-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-27-,41-38-
HMDB50204	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,39,60H,4-7,9-10,12-16,18-19,21-24,30-33,35,37-38,40-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,39-36-
HMDB50203	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,32-34,36-37,42,45,58H,4-7,9-10,12-16,18-19,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB50202	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,32,34,37,58H,4-7,9-10,12-16,18-19,21-24,30-31,33,35-36,38-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,32-27-,37-34-
HMDB50201	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-28,30-32,35,56H,4-6,8-9,11-15,17-18,20-24,29,33-34,36-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,31-27-,35-32-
HMDB50200	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,36,39,55H,4-8,10-11,13-17,19-20,22-25,28,31-35,37-38,40-54H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,39-36-
HMDB50209	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-34,36-37,58H,4-7,9-10,12-15,18,21-24,30-31,35,38-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-
HMDB50208	TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31,33,36,57H,4-6,8-9,11-13,15,18,20-22,24,29-30,32,34-35,37-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,31-27-,36-33-
HMDB54917	TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,45-46,48-49,59H,4-15,18,21-24,29-30,35-36,39,42-44,47,50-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-,49-46-
HMDB54916	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,41,44,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-40,42-43,45-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-,44-41-
HMDB54915	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-
HMDB54914	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB54913	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB54912	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,43,46,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-
HMDB54911	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,35-37,41,44,54H,4-7,9-10,12-15,18,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-
HMDB54910	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,36,41,44,54H,4-7,9-10,12-15,18,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-
HMDB54919	TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-38,42,45,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,39-41,43-44,46-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-,45-42-
HMDB54918	TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,42,45,55H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,45-42-
HMDB51426	TG(22:1(13Z)/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,61H,4-24,29-60H2,1-3H3/b27-25-,28-26-
HMDB55356	TG(18:3(9Z,12Z,15Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB55357	TG(18:4(6Z,9Z,12Z,15Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,31-34,50H,4-6,9,12-15,18,21-23,28-30,35-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-
HMDB55354	TG(18:3(9Z,12Z,15Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,35,41,44,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,44-41-
HMDB55355	TG(18:3(9Z,12Z,15Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,37,40,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-
HMDB55352	TG(18:3(9Z,12Z,15Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,55H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-
HMDB55353	TG(18:3(9Z,12Z,15Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,35,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33-34,36-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-32-
HMDB55350	TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB55351	TG(18:3(9Z,12Z,15Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,55H,4-7,10,13-16,19,22-25,28,31-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-
HMDB55653	TG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,37-38,41,60H,4-6,13-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-
HMDB55358	TG(18:4(6Z,9Z,12Z,15Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,33,35,52H,4-6,9,12-15,18,21-23,27,30,32,34,36-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-
HMDB55359	TG(18:4(6Z,9Z,12Z,15Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,33,35-36,39,52H,4-6,9,12-15,18,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB58577	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,27-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB55652	TG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,41,44,58H,4-6,13-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-
HMDB06488	N-Acetyl-L-glutamate 5-semialdehyde	CC(=O)N[C@@H](CCC=O)C(O)=O	InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1
HMDB44408	TG(16:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,41,60H,4-15,18,21-24,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,41-38-
HMDB06482	LysoSM(d18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C	InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
HMDB06483	D-Aspartic acid	N[C@H](CC(O)=O)C(O)=O	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
HMDB06480	N-Acetyl-D-galactosamine 1-phosphate	CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(O)=O	InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8?/m1/s1
HMDB06486	5-Methyldihydrofolic acid	CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CNC2=C1C(=O)N=C(N)N2	InChI=1S/C20H23N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,9,13,22H,6-8H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t13-/m0/s1
HMDB06487	Pentaglutamyl folate	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)=CN=C2N1	InChI=1S/C39H47N11O18/c40-39-49-31-30(33(58)50-39)43-19(16-42-31)15-41-18-3-1-17(2-4-18)32(57)48-24(38(67)68)8-13-28(54)46-22(36(63)64)6-11-26(52)44-20(34(59)60)5-10-25(51)45-21(35(61)62)7-12-27(53)47-23(37(65)66)9-14-29(55)56/h1-4,16,20-24,41H,5-15H2,(H,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,57)(H,55,56)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H3,40,42,49,50,58)/t20-,21-,22-,23-,24-/m0/s1
HMDB06484	2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone	COC1=C(O)C(=O)C(C)=C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O	InChI=1S/C58H88O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41-
HMDB06485	10-formyldihydrofolate	NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1	InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1
HMDB09371	PE(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,45H,3-10,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,27-25-/t45-/m1/s1
HMDB09370	PE(20:3(8Z,11Z,14Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,45H,3-11,13,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,27-25-/t45-/m1/s1
HMDB09373	PE(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,34,36,45H,3-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-/m1/s1
HMDB09372	PE(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,45H,3-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t45-/m1/s1
HMDB09375	PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,34,36,45H,3-4,6,8-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-/m1/s1
HMDB09374	PE(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,45H,3-4,6,8-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t45-/m1/s1
HMDB09377	PE(20:3(8Z,11Z,14Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,47H,3-11,13,15-16,21-26,28,30-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,29-27-/t47-/m1/s1
HMDB09376	PE(20:3(8Z,11Z,14Z)/24:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,47H,3-11,13,15-17,19,21-26,28,30-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,29-27-/t47-/m1/s1
HMDB09379	PE(20:3(8Z,11Z,14Z)/P-18:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,35,38,42H,3-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,38-35-/t42-/m1/s1
HMDB09378	PE(20:3(8Z,11Z,14Z)/P-16:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,33,36,40H,3-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,36-33-/t40-/m1/s1
HMDB01142	FMNH	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1	InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1
HMDB01143	Inositol 1,3,4-trisphosphate	O[C@@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O	InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1
HMDB01140	Octanal	CCCCCCCC=O	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
HMDB01147	Aminomalonic acid	NC(C(O)=O)C(O)=O	InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
HMDB01149	5-Aminolevulinic acid	NCC(=O)CCC(O)=O	InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
HMDB56059	DG(18:0/0:0/20:5n3)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,39,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-
HMDB40062	4-Ethyl-5-methylthiazole	CCC1=C(C)SC=N1	InChI=1S/C6H9NS/c1-3-6-5(2)8-4-7-6/h4H,3H2,1-2H3
HMDB40063	4-Butyl-5-methylthiazole	CCCCC1=C(C)SC=N1	InChI=1S/C8H13NS/c1-3-4-5-8-7(2)10-6-9-8/h6H,3-5H2,1-2H3
HMDB40060	2-Methyl-5-(methylthio)pyrazine	CSC1=NC=C(C)N=C1	InChI=1S/C6H8N2S/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3
HMDB40061	2-Methyl-6-(methylthio)pyrazine	CSC1=NC(C)=CN=C1	InChI=1S/C6H8N2S/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3
HMDB40066	5-Butyl-4-ethylthiazole	CCCCC1=C(CC)N=CS1	InChI=1S/C9H15NS/c1-3-5-6-9-8(4-2)10-7-11-9/h7H,3-6H2,1-2H3
HMDB40067	4-Butyl-5-propylthiazole	CCCCC1=C(CCC)SC=N1	InChI=1S/C10H17NS/c1-3-5-7-9-10(6-4-2)12-8-11-9/h8H,3-7H2,1-2H3
HMDB40064	4-Ethyl-5-propylthiazole	CCCC1=C(CC)N=CS1	InChI=1S/C8H13NS/c1-3-5-8-7(4-2)9-6-10-8/h6H,3-5H2,1-2H3
HMDB40065	4-Butyl-5-ethylthiazole	CCCCC1=C(CC)SC=N1	InChI=1S/C9H15NS/c1-3-5-6-8-9(4-2)11-7-10-8/h7H,3-6H2,1-2H3
HMDB58639	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-48,52-54,57-58,60,64,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,49-51,55-56,59,61-63,65-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,52-48-,57-53-,58-54-,64-60-/t85?,86-,87-/m1/s1
HMDB40068	2-Ethyl-4,5-dimethylthiazole	CCC1=NC(C)=C(C)S1	InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
HMDB40069	4-Ethyl-2,5-dimethylthiazole	CCC1=C(C)SC(C)=N1	InChI=1S/C7H11NS/c1-4-7-5(2)9-6(3)8-7/h4H2,1-3H3
HMDB53121	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-34,36-38,41-43,45-46,58H,4-6,8-9,11-15,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB06730	QYNAD	C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O	InChI=1S/C25H35N7O11/c1-11(21(38)32-17(25(42)43)10-20(36)37)29-23(40)16(9-19(28)35)31-24(41)15(8-12-2-4-13(33)5-3-12)30-22(39)14(26)6-7-18(27)34/h2-5,11,14-17,33H,6-10,26H2,1H3,(H2,27,34)(H2,28,35)(H,29,40)(H,30,39)(H,31,41)(H,32,38)(H,36,37)(H,42,43)/t11-,14-,15-,16-,17-/m0/s1
HMDB06731	CE(20:5(5Z,8Z,11Z,14Z,17Z)	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1
HMDB48275	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,51H,4-7,9-10,12-14,16,19,21-24,26,28-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-
HMDB06733	CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1
HMDB06734	CE(20:2(6Z,9Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C47H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1
HMDB48272	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,36,39,52H,4-6,9,12-14,21-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-
HMDB06736	CE(20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1	InChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,28,37-38,40-44H,7-10,13,16,19-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1
HMDB06737	CE(22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C49H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,30,39-40,42-46H,7-10,13,16-29,31-38H2,1-6H3/b12-11-,15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1
HMDB06738	CE(19:0)	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C	InChI=1S/C46H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-44(47)48-39-31-33-45(5)38(35-39)27-28-40-42-30-29-41(37(4)25-23-24-36(2)3)46(42,6)34-32-43(40)45/h27,36-37,39-43H,7-26,28-35H2,1-6H3/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
HMDB53127	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34-35,38,40,43,60H,4-15,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-
HMDB48279	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,35,50H,4-7,9-10,12-14,16,19,21-23,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-32-
HMDB48278	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25,27,32,35,50H,4-7,9-10,12-14,16,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,35-32-
HMDB49586	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-8,10-11,13-15,17,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB49587	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,33,40,43,58H,4-8,10-11,13-15,17,22,24,26,29-32,34-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-,43-40-
HMDB49584	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,20-23,25,27,30,37,40,55H,4-8,10-11,14-15,17,19,24,26,28-29,31-36,38-39,41-54H2,1-3H3/b12-9-,16-13-,21-18-,23-20-,25-22-,30-27-,40-37-
HMDB49585	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,31-32,34,38,41,56H,4-8,10-11,13-15,17,22,24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-
HMDB49582	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27-28,30-31,37,40,55H,4-8,10-11,13-17,24-26,29,32-36,38-39,41-54H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-,31-28-,40-37-
HMDB49583	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30,34,36-37,39,54H,4-8,10-11,13-15,17,22,24,26,29,31-33,35,38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-,39-36-
HMDB49580	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,33,40,43,58H,4-8,10-11,13-17,19,22,24,26,29-32,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-,43-40-
HMDB49581	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,35,42,45,60H,4-8,10-11,13-17,19,22,24,26,29-34,36-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-,45-42-
HMDB54001	TG(20:3n6/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,59H,4-15,18,21-24,27,30-32,35,38-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB54000	TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-
HMDB54003	TG(20:3n6/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,61H,4-15,18,21-24,27,30-34,36-37,39-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-
HMDB53124	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB54005	TG(20:3n6/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-
HMDB54004	TG(20:3n6/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-
HMDB49588	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39-40,43,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-
HMDB49589	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-
HMDB30964	Linolenelaidic acid	CC\C=C\C\C=C\C\C=C\CCCCCCCC(O)=O	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+
HMDB30965	9-Octadecenal	CCCCCCCC\C=C\CCCCCCCC=O	InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+
HMDB30966	(3xi,5Z)-1,5-Octadien-3-ol	CC\C=C\CC(O)C=C	InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5+
HMDB04645	S-Nitrosoglutathione	N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(O)=O)C(O)=O	InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1
HMDB30960	Obtusilactone A	CCCCCCCCCCCCC\C=C1\C(O)C(=C)OC1=O	InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15-
HMDB30961	2-Octenal	CCCCC\C=C/C=O	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6-
HMDB30962	Calendic acid	CCCCC\C=C/C=C/C=C/CCCCCCC(O)=O	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10+
HMDB30963	Punicic acid	CCCC\C=C\C=C/C=C/CCCCCCCC(O)=O	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-,10-9+
HMDB57264	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-35,37-39,41,44,46-47,50-52,56,58-59,62-64,68,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB57265	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB54033	TG(20:4(5Z,8Z,11Z,14Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,40,54H,4-15,17-18,20-24,26,28-29,31,33-36,38-39,41-53H2,1-3H3/b19-16-,27-25-,32-30-,40-37-
HMDB57267	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB30968	2,4,6-Octatriyn-1-ol	CC#CC#CC#CCO	InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h9H,8H2,1H3
HMDB30969	Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25+
HMDB57262	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-35,37-39,41,44,46-47,50-52,56,58-59,62-64,68,83-85,90H,5-20,24,28-32,36,40,42-43,45,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB04649	Demethylphylloquinone	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=CC(=O)C2=CC=CC=C2C1=O	InChI=1S/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+
HMDB51631	TG(22:1(13Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,37,63H,4-20,22-23,27,31-36,38-62H2,1-3H3/b24-21-,28-25-,29-26-,37-30-
HMDB51630	TG(22:1(13Z)/22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-
HMDB51633	TG(22:1(13Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,63H,4-14,16-17,19-23,30-62H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB51632	TG(22:1(13Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,42,45,62H,4-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,45-42-
HMDB48189	TG(14:1(9Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,32,34,40,43,56H,4-14,17,20-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,34-32-,43-40-
HMDB48188	TG(14:1(9Z)/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,56H,4-14,17,20-23,28-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-
HMDB51637	TG(22:1(13Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,43,46,66H,4-15,17-18,20-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB51636	TG(22:1(13Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,66H,4-15,17-18,20-24,31-65H2,1-3H3/b19-16-,28-25-,29-26-,30-27-
HMDB48185	TG(14:1(9Z)/22:2(13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,52H,4-14,17,21-22,26-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-
HMDB48184	TG(14:1(9Z)/22:2(13Z,16Z)/14:1(9Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-19,23-24,50H,4-13,20-22,25-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-
HMDB48187	TG(14:1(9Z)/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,30,54H,4-14,17,20-23,27-29,31-53H2,1-3H3/b18-15-,19-16-,26-24-,30-25-
HMDB48186	TG(14:1(9Z)/22:2(13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,54H,4-14,17,21-22,25,27-53H2,1-3H3/b18-15-,19-16-,23-20-,26-24-
HMDB48181	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-14,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB48180	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,38-39,41-42,54H,4-6,8-9,11-14,21-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB48183	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,37,40,53H,4-14,17,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,40-37-
HMDB48182	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-14,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB51987	TG(24:1(15Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,66H,4-16,18-19,21-24,27,30-65H2,1-3H3/b20-17-,28-25-,29-26-
HMDB51986	TG(24:1(15Z)/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,47,50,64H,4-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,41-38-,50-47-
HMDB02497	Glycochenodeoxycholate-3-sulfate	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
HMDB02496	N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)35-36(32,33)34/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
HMDB51983	TG(24:1(15Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,42,45,62H,4-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,36-27-,45-42-
HMDB51982	TG(24:1(15Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,37,63H,4-20,22-23,26-27,29,31-36,38-62H2,1-3H3/b24-21-,28-25-,37-30-
HMDB51981	TG(24:1(15Z)/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,68H,4-24,27,30-67H2,1-3H3/b28-25-,29-26-
HMDB02492	7a-Hydroxy-5b-cholanic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O3/c1-15(7-10-21(26)27)17-8-9-18-22-19(11-13-24(17,18)3)23(2)12-5-4-6-16(23)14-20(22)25/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1
HMDB49344	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,32,35,41,44,57H,4-20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b24-21-,28-25-,35-32-,44-41-
HMDB02498	Taurochenodeoxycholate-7-sulfate	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)36-38(33,34)35/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
HMDB51989	TG(24:1(15Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,43,46,52,55,66H,4-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,46-43-,55-52-
HMDB51988	TG(24:1(15Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,43,46,66H,4-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,46-43-
HMDB45354	TG(18:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,38,41,62H,4-7,9-10,12-16,18-19,21-24,27,30-37,39-40,42-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,41-38-
HMDB53928	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-
HMDB45353	TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,60H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-
HMDB02728	Thyroxine sulfate	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C(I)=C2)C(I)=C1)C(O)=O	InChI=1S/C15H11I4NO7S/c16-8-1-6(3-12(20)15(21)22)2-9(17)13(8)26-7-4-10(18)14(11(19)5-7)27-28(23,24)25/h1-2,4-5,12H,3,20H2,(H,21,22)(H,23,24,25)/t12-/m0/s1
HMDB02721	1-Methylinosine	CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O	InChI=1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
HMDB02720	Gestrinone	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
HMDB02726	Guggulsterone	[H][C@@]12CC(=O)\C(=C(/C)OC)[C@@]1(C)CC[C@]1([H])[C@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C22H30O3/c1-13(25-4)20-19(24)12-18-16-6-5-14-11-15(23)7-9-21(14,2)17(16)8-10-22(18,20)3/h11,16-18H,5-10,12H2,1-4H3/b20-13-/t16-,17+,18-,21-,22-/m0/s1
HMDB02725	Nandrolone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]	InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
HMDB33437	Lepidine	COC1=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=CC=C1	InChI=1S/C21H20N4O2/c1-26-18-7-3-5-16(14-20-24-10-11-25-20)21(18)27-17-6-2-4-15(12-17)13-19-22-8-9-23-19/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)
HMDB33436	Nigellimine N-oxide	COC1=CC2=C(C=C1OC)C(C)=N(=O)C=C2	InChI=1S/C12H13NO3/c1-8-10-7-12(16-3)11(15-2)6-9(10)4-5-13(8)14/h4-7H,1-3H3
HMDB33435	()-Aegeline	COC1=CC=C(C=C1)C(O)CNC(=O)\C=C\C1=CC=CC=C1	InChI=1S/C18H19NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-7-14-5-3-2-4-6-14/h2-12,17,20H,13H2,1H3,(H,19,21)/b12-7+
HMDB33434	4-Acetyl-1-methylcyclohexene	CC(=O)C1CCC(C)=CC1	InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3
HMDB33433	(S)-Homostachydrine	C[N+]1(C)CCCC[C@H]1C([O-])=O	InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3/t7-/m0/s1
HMDB33432	(R)-Rhazinilam	CCC12CCCN3C=CC(=C13)C1=C(NC(=O)CC2)C=CC=C1	InChI=1S/C19H22N2O/c1-2-19-10-5-12-21-13-9-15(18(19)21)14-6-3-4-7-16(14)20-17(22)8-11-19/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3,(H,20,22)
HMDB33431	Moschamindole	COC1=C(O)C=CC(=C1)C1OC2=C3C1C(=O)NCCC1=CNC(C=C2)=C31	InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24)
HMDB33430	Tanakine	CC(C)(O)C(O)CC1=CNC2=C1C=CC=C2	InChI=1S/C13H17NO2/c1-13(2,16)12(15)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14-16H,7H2,1-2H3
HMDB41003	Vulgarolide	CC12CCC(O)OC1C1OC(=O)C(=C)C1CCC(=O)C2	InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3
HMDB41002	8,10,15-Trihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide; (1E,4Z,6a,8b,10a)-form, 8-(2-Methylbutanoyl)	CCC(C)C(=O)OC1CC(C)(O)\C=C/C(=O)/C(CO)=C\C2OC(=O)C(=C)C12	InChI=1S/C20H26O7/c1-5-11(2)18(23)27-16-9-20(4,25)7-6-14(22)13(10-21)8-15-17(16)12(3)19(24)26-15/h6-8,11,15-17,21,25H,3,5,9-10H2,1-2,4H3/b7-6-,13-8-
HMDB41001	Volemolide	COC12CCC3(C)C(CCC3C1=CC(=O)O2)C(C)\C=C\C(C)C(C)C	InChI=1S/C22H34O3/c1-14(2)15(3)7-8-16(4)17-9-10-18-19-13-20(23)25-22(19,24-6)12-11-21(17,18)5/h7-8,13-18H,9-12H2,1-6H3/b8-7+
HMDB41000	Karahana lactone	CC1(C)C2CCC(=C)C1C(=O)O2	InChI=1S/C10H14O2/c1-6-4-5-7-10(2,3)8(6)9(11)12-7/h7-8H,1,4-5H2,2-3H3
HMDB41007	1'-Hydroxychavicol acetate	CC(=O)OC1=CC=C(C=C1)C(O)C=C	InChI=1S/C11H12O3/c1-3-11(13)9-4-6-10(7-5-9)14-8(2)12/h3-7,11,13H,1H2,2H3
HMDB41006	1'-Acetoxychavicol	CC(=O)O[C@@H](C=C)C1=CC=C(OC(C)=O)C=C1	InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1
HMDB33439	(-)-alpha-Narcotine	[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]1([H])N(C)CCC2=CC3=C(OCO3)C(OC)=C12	InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
HMDB33438	Na,Na-Dimethylhistamine	CN(C)CCC1=CNC=N1	InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)
HMDB50580	TG(20:1(11Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,38,41,64H,4-7,9-10,12-16,18-19,21-24,31-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-
HMDB50581	TG(20:1(11Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB50582	TG(20:1(11Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,47-44-
HMDB50583	TG(20:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,47-44-,56-53-
HMDB49638	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,35,41,44,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-32-,44-41-
HMDB49639	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28,30-31,37,40,58H,4-6,8-9,11-15,17-18,22,26-27,29,32-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,31-30-,40-37-
HMDB50586	TG(20:1(11Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,33-34,36,42,45,59H,4-20,22-23,27,31-32,35,37-41,43-44,46-58H2,1-3H3/b24-21-,28-25-,29-26-,33-30-,36-34-,45-42-
HMDB50587	TG(20:1(11Z)/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,35,61H,4-20,22-23,27,31-34,36-60H2,1-3H3/b24-21-,28-25-,29-26-,35-30-
HMDB49634	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-34,36-37,43,46,58H,4-6,9,12-15,18,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB49635	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,9,12-15,18,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB49636	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,9,12-15,18,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB49637	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,9,12-15,18,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB49630	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-7,9-10,12-15,18,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB49631	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-7,9-10,12-15,18,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB49632	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30,32,35,41,44,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-
HMDB49633	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30,32,35-36,39,41,44,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB44743	TG(18:0/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,32,35,52H,4-6,8-9,11-15,17-18,20-24,26,28-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,27-25-,35-32-
HMDB44741	TG(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,35,37,43,46,56H,4-15,17-18,20-24,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,30-29-,37-35-,46-43-
HMDB44740	TG(18:0/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,35,37,56H,4-15,17-18,20-24,26,28,31-34,36,38-55H2,1-3H3/b19-16-,27-25-,30-29-,37-35-
HMDB44747	TG(18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,35,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-35-,46-43-
HMDB44746	TG(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,35,37,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-34,36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-35-
HMDB44745	TG(18:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,38,41,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,33-30-,41-38-
HMDB44744	TG(18:0/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,27-25-,33-30-
HMDB44748	TG(18:0/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB44528	TG(16:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,53H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,28-26-,37-34-
HMDB39178	1,2-Digalloyl-beta-D-glucopyranose	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C20H20O14/c21-5-12-15(28)16(29)17(33-18(30)6-1-8(22)13(26)9(23)2-6)20(32-12)34-19(31)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-29H,5H2
HMDB39179	1,6-Digalloyl-beta-D-glucopyranose	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2
HMDB03458	Aquacobalamin	C(C(N)=O)C[C@H]1[C@@](C2=C(C)C3=[N]4[C@]([C@@](CC(N)=O)([C@@H]3CCC(N)=O)C)(C3[C@H](CC(N)=O)[C@@]5(C6=C(C)C7=[N]8[Co+]4([N]4=CN([C@H]9O[C@@H]([C@@H](OP(O[C@@H](CNC(CC5)=O)C)(O)=O)[C@H]9O)CO)C5=C4C=C(C(=C5)C)C)([N]2=C1C=C8C(C)(C)[C@@H]7CCC(N)=O)(N36)O)C)C)(CC(N)=O)C	InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1
HMDB03459	D-Alanyl-D-alanine	C[C@@H](N)C(=O)N[C@H](C)C(O)=O	InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
HMDB39170	6-O-p-Coumaroyl-1,2-digalloylglucose	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)42-11-20-24(38)25(39)26(44-27(40)13-7-16(31)22(36)17(32)8-13)29(43-20)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+
HMDB03453	3-Hydroxypropanal	OCCC=O	InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2
HMDB03450	(-)-trans-Carveol	CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1
HMDB03451	(3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=CC(O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16-,31-19+,32-20+/t35?,36-,37-/m1/s1
HMDB39174	3-beta-Cellobiosylcellobiose	OCC1OC(OC2C(O)C(O)C(OC3C(O)C(CO)OC(OC4C(O)C(O)C(O)OC4CO)C3O)OC2CO)C(O)C(O)C1O	InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)22(40-5)43-19-8(4-28)42-23(16(36)13(19)33)45-20-10(30)6(2-26)41-24(17(20)37)44-18-7(3-27)39-21(38)14(34)12(18)32/h5-38H,1-4H2
HMDB39175	Raphanusol A	COC1=CC(\C=C/C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)\C=C/C3=CC(OC)=C(O)C(OC)=C3)C(O)C2O)=CC(OC)=C1O	InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-22(14-49-33-30(43)28(41)27(40)21(13-35)50-33)51-34(31(44)29(32)42)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5-,8-6-
HMDB03454	4-Pyridoxolactone	CC1=NC=C2COC(=O)C2=C1O	InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3
HMDB39177	1-O-Galloylglycerol	OCC(O)COC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2
HMDB31369	Trilobacin	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
HMDB31368	7-Protoilludene-1,5,6,14-tetrol; (1a,5b,6a)-form, 14-(2,4-Dihydroxy-6-methylbenzoyl)	CC1=C(C(=O)OCC2=CC3CC(C)(C)C(O)C3C3(C)CC(O)C23O)C(O)=CC(O)=C1	InChI=1S/C23H30O7/c1-11-5-14(24)7-15(25)17(11)20(28)30-10-13-6-12-8-21(2,3)19(27)18(12)22(4)9-16(26)23(13,22)29/h5-7,12,16,18-19,24-27,29H,8-10H2,1-4H3
HMDB31365	Gibberellin A94	CC12C3OC3C(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O6/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(21)22)17(2,16(23)25-19)14-11(24-14)13(19)20/h8-14,20H,1,3-6H2,2H3,(H,21,22)
HMDB31364	Ampeloside Bs1	CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C45H74O20/c1-17-5-8-45(58-16-17)18(2)30-26(65-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)59-40-36(56)34(54)38(29(15-48)62-40)63-42-37(57)39(32(52)28(14-47)61-42)64-41-35(55)33(53)31(51)27(13-46)60-41/h17-42,46-57H,5-16H2,1-4H3
HMDB31367	Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1(C)OC(C)(CCC1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C=C	InChI=1S/C21H36O11/c1-5-20(4)7-6-12(19(2,3)32-20)31-17-15(25)14(24)13(23)11(30-17)8-28-18-16(26)21(27,9-22)10-29-18/h5,11-18,22-27H,1,6-10H2,2-4H3
HMDB31366	Gibberellin A93	CC12C3OC3C(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O7/c1-7-5-17-6-18(7,24)4-3-8(17)19-11(9(17)14(21)22)16(2,15(23)26-19)13-10(25-13)12(19)20/h8-13,20,24H,1,3-6H2,2H3,(H,21,22)
HMDB31361	(R)-Kanzonol Y	CC(C)=CCC1=CC(C(=O)C(O)CC2=CC(CC=C(C)C)=C(O)C=C2)=C(O)C=C1O	InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(7-10-21(18)26)12-24(29)25(30)20-13-19(9-6-16(3)4)22(27)14-23(20)28/h5-7,10-11,13-14,24,26-29H,8-9,12H2,1-4H3
HMDB31360	L-cis-Cyclo(aspartylphenylalanyl)	OC(=O)CC1NC(=O)C(CC2=CC=CC=C2)NC1=O	InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)
HMDB31363	Lucyoside L	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H76O19/c1-43(2)13-15-48(42(61)67-40-37(60)34(57)31(54)25(19-50)63-40)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(35(58)32(55)26(20-51)64-41)66-39-36(59)33(56)30(53)24(18-49)62-39/h7,21,23-41,49-51,53-60H,8-20H2,1-6H3
HMDB31362	Cyclohexylethyl acetate	CC(=O)OCCC1CCCCC1	InChI=1S/C10H18O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3
HMDB37408	Neocarlinoside	OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OCC(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC(O)=C(O)C=C1	InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2
HMDB37409	3,8-Diglucosyldiosmetin	COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O1	InChI=1S/C28H32O16/c1-41-12-3-2-8(4-9(12)31)25-17(28-24(40)22(38)19(35)14(7-30)43-28)20(36)15-10(32)5-11(33)16(26(15)44-25)27-23(39)21(37)18(34)13(6-29)42-27/h2-5,13-14,18-19,21-24,27-35,37-40H,6-7H2,1H3
HMDB37406	8-Glucopyranosylprocyanidin B1	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2O[C@@H]([C@H](O)[C@@H](C3=C(O)C=C(O)C4=C3O[C@@H]([C@@H](O)C4)C3=CC=C(O)C(O)=C3)C2=C(O)C=C1O)C1=CC=C(O)C(O)=C1	InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23+,27-,28+,29+,30-,31+,32+,33+,36-/m0/s1
HMDB37407	(2R)-6,8-Diglucopyranosyl-4',5,7-trihydroxyflavanone	OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OC(CO)C(O)C(O)C2O)=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1	InChI=1S/C27H32O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-4,11-13,17-18,21-24,26-30,32-39H,5-7H2
HMDB37404	6-Glucopyranosylprocyanidin B1	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2O[C@@H]([C@H](O)[C@H](C2=C1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@@H](O)C2)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23+,27-,28+,30+,31-,32+,33+,34+,36-/m0/s1
HMDB37405	8-Glucopyranosylprocyanidin B2	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2O[C@@H]([C@H](O)[C@@H](C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC=C(O)C(O)=C3)C2=C(O)C=C1O)C1=CC=C(O)C(O)=C1	InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23-,27+,28-,29-,30+,31-,32-,33-,36+/m1/s1
HMDB37402	(+)-Catechin 8-C-glucoside	OCC1OC(C(O)C(O)C1O)C1=C2OC(C(O)CC2=C(O)C=C1O)C1=CC(O)=C(O)C=C1	InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2
HMDB37403	6-Glucopyranosylprocyanidin B2	OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2O[C@@H]([C@H](O)[C@H](C2=C1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36?/m1/s1
HMDB37400	(+)-Catechin 6-C-glucoside	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C2OC(C(O)CC2=C1O)C1=CC(O)=C(O)C=C1	InChI=1S/C21H24O11/c22-6-14-17(28)18(29)19(30)21(32-14)15-11(25)5-13-8(16(15)27)4-12(26)20(31-13)7-1-2-9(23)10(24)3-7/h1-3,5,12,14,17-30H,4,6H2
HMDB37401	(-)-Epicatechin 8-C-glucoside	OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC=C(O)C(O)=C1	InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16-,17+,18-,19-,21?/m1/s1
HMDB40840	Mabiogenin; 15-Ketone, 21-hydroxy, 3-O-[a-L-rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(=O)OC(CC=C(C)C)C6(CO)OC(=O)C54C)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C42H66O15/c1-19(2)9-12-26-42(18-43)27(34(50)55-26)21-10-11-24-39(6)15-14-25(38(4,5)23(39)13-16-40(24,7)41(21,8)37(51)57-42)56-36-33(49)31(47)29(45)22(54-36)17-52-35-32(48)30(46)28(44)20(3)53-35/h9,20-33,35-36,43-49H,10-18H2,1-8H3
HMDB40841	Quercetin 3-(2-caffeoylsophoroside) 7-glucoside	OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC(=O)\C=C\C2=CC=C(O)C(O)=C2)=C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+
HMDB40842	Quercetin 3-(2-feruloylsophoroside) 7-glucoside	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=C(C(O)=CC(OC6OC(CO)C(O)C(O)C6O)=C5)C4=O)C4=CC(O)=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC=C1O	InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)66-39-34(57)30(53)25(13-45)64-42(39)68-40-35(58)31(54)26(14-46)65-43(40)67-38-32(55)28-21(50)10-17(61-41-36(59)33(56)29(52)24(12-44)63-41)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+
HMDB40843	Vinaginsenoside R4	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC21C	InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(44(3,4)40(45)24(53)17-47(28,46)7)65-43-39(36(59)33(56)27(20-51)64-43)66-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3
HMDB40844	1,6,10-Farnesatrien-3-ol; (S)-form, O-[a-L-Rhamnopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	CC1OC(OC2C(O)C(O)C(CO)OC2OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C1O	InChI=1S/C27H46O10/c1-7-27(6,13-9-12-16(4)11-8-10-15(2)3)37-26-24(22(32)20(30)18(14-28)35-26)36-25-23(33)21(31)19(29)17(5)34-25/h7,10,12,17-26,28-33H,1,8-9,11,13-14H2,2-6H3/b16-12+
HMDB40845	1,6,10-Farnesatrien-3-ol; (S)-form, O-[a-L-Rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+
HMDB40846	1,6,10-Farnesatrien-3-ol; (S)-form, O-[a-L-Rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OC2C(C)OC(OCC3OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-27(40)24(37)22(35)20(45-32)15-42-30-28(41)25(38)29(19(6)44-30)46-31-26(39)23(36)21(34)18(5)43-31/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+
HMDB40847	1,6,10-Farnesatrien-3-ol; (S)-form, O-[a-L-Rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+
HMDB40848	1,6,10-Farnesatrien-3-ol; (S)-form, O-[a-L-Rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[4-(4-hydroxy-3-methoxycinnamoyl)-(E)-a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	COC1=CC(\C=C\C(=O)OC2C(C)OC(OCC3OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)=CC=C1O	InChI=1S/C49H74O21/c1-10-49(8,20-12-15-24(4)14-11-13-23(2)3)70-48-44(69-47-41(60)38(57)43(27(7)65-47)68-46-39(58)35(54)33(52)25(5)63-46)36(55)34(53)31(66-48)22-62-45-40(59)37(56)42(26(6)64-45)67-32(51)19-17-28-16-18-29(50)30(21-28)61-9/h10,13,15-19,21,25-27,31,33-48,50,52-60H,1,11-12,14,20,22H2,2-9H3/b19-17+,24-15+
HMDB40849	Caraganoside A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3
HMDB45838	TG(20:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,64H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-
HMDB45839	TG(20:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,51,54,64H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-,54-51-
HMDB32478	Polypropylene glycol (m w 1,200-3,000)	CC(O)COC(C)CO	InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3
HMDB32475	Polyoxyethylene dioleate	CCCCCCCC\C=C/CCCCCCCC(=O)OCCOC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17-,20-18-
HMDB32476	Polyoxyethylene (600) mono- ricinoleate	CCCCCCC(O)C\C=C\CCCCCCCC(=O)OCCC	InChI=1S/C21H40O3/c1-3-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19-4-2/h11,14,20,22H,3-10,12-13,15-19H2,1-2H3/b14-11+
HMDB32477	Polyoxyethylene 40 monostearate	CCCCCCCCCCCCCCCCCC(=O)OCCO	InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3
HMDB32470	Phytyl acetate	CC(C)CCCC(C)CCCC(C)CCCC(C)=CCOC(C)=O	InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+
HMDB32472	Polyethylene, oxidized	CC(C(O)CCCCC=O)C(=O)CCC(O)=O	InChI=1S/C12H20O5/c1-9(11(15)6-7-12(16)17)10(14)5-3-2-4-8-13/h8-10,14H,2-7H2,1H3,(H,16,17)
HMDB32473	Polylimonene	CC(=C)C1CCC(C)=CC1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
HMDB01915	Alendronic acid	NCCCC(O)(P(O)(O)=O)P(O)(O)=O	InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
HMDB47093	TG(24:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,41,44,50,53,64H,4-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,29-26-,36-34-,44-41-,53-50-
HMDB01917	Digoxin	[H][C@]12CC[C@]3([H])C([H])(C[C@@H](O)[C@]4(C)C(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1	InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25?,26-,27?,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
HMDB01916	Azythromycin	CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@](C)(O)C[C@H](C)CN(C)[C@@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,35+,36-,37-,38+/m0/s1
HMDB47096	TG(24:0/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,39,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,39-37-
HMDB47097	TG(24:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,39-37-,48-45-
HMDB01913	Omeprazole	COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C	InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
HMDB43667	TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-31,35,37-38,40,53H,4-7,9-10,12-16,18-19,21-24,28,32-34,36,39,41-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-
HMDB47098	TG(24:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,41,44,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,44-41-
HMDB47099	TG(24:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,41,44,50,53,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,44-41-,53-50-
HMDB01919	Famotidine	NC(=N)NC1=NC(CSCCC(=N)NS(N)(=O)=O)=CS1	InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
HMDB30182	Eupolauridine	C1=CC2=C(C=C1)C1=NC=CC3=C1C2=NC=C3	InChI=1S/C14H8N2/c1-2-4-11-10(3-1)13-12-9(5-7-15-13)6-8-16-14(11)12/h1-8H
HMDB30183	Murrayazolinine	CC1=CC2=C(NC3=C2C=CC=C3)C2=C1OC1(C)CCC(C2C1)C(C)(C)O	InChI=1S/C23H27NO2/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,26-21(13)19)10-9-17(16)22(2,3)25/h5-8,11,16-17,24-25H,9-10,12H2,1-4H3
HMDB30180	Crustecdysone	CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3
HMDB30181	Erythratine	COC1CC23N(CCC2=CC1O)CCC1=C3C=C2OCOC2=C1	InChI=1S/C18H21NO4/c1-21-17-9-18-12(7-14(17)20)3-5-19(18)4-2-11-6-15-16(8-13(11)18)23-10-22-15/h6-8,14,17,20H,2-5,9-10H2,1H3
HMDB30186	(E,E,E)-Sylvatine	CC(C)CCC\C=C\CCCCNC(=O)\C=C\C=C/C1=CC=C2OCOC2=C1	InChI=1S/C24H33NO3/c1-20(2)12-8-6-4-3-5-7-11-17-25-24(26)14-10-9-13-21-15-16-22-23(18-21)28-19-27-22/h3-4,9-10,13-16,18,20H,5-8,11-12,17,19H2,1-2H3,(H,25,26)/b4-3+,13-9-,14-10+
HMDB30187	(E,E)-Piperlonguminine	CC(C)CNC(=O)\C=C\C=C\C1=CC=C2OCOC2=C1	InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+
HMDB30184	(S)-Isocorydine	[H][C@@]12CC3=CC=C(OC)C(O)=C3C3=C(OC)C(OC)=CC(CCN1C)=C23	InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
HMDB30185	(E)-Piperolein A	O=C(CCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1	InChI=1S/C19H25NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4,8,10-11,14H,1-3,5-7,9,12-13,15H2/b8-4+
HMDB30188	N-Isobutyl-2,4,8-decatrienamide	C\C=C/CC\C=C/C=C/C(=O)NCC(C)C	InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)/b5-4-,9-8-,11-10+
HMDB30189	Isogravacridonechlorine	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(C)(O)CCl)C=C2O	InChI=1S/C19H18ClNO4/c1-19(24,9-20)15-7-11-14(25-15)8-13(22)16-17(11)21(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,22,24H,7,9H2,1-2H3
HMDB08769	PC(24:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,50H,6-14,16,18-20,22,24-49H2,1-5H3/b17-15-,23-21-/t50-/m1/s1
HMDB08768	PC(24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h21,23,50H,6-20,22,24-49H2,1-5H3/b23-21-/t50-/m1/s1
HMDB08765	PC(24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,28,48H,6-8,10,12-14,16,18-20,22-27,29-47H2,1-5H3/b11-9-,17-15-,28-21-/t48-/m1/s1
HMDB08764	PC(24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h15,17,21,28,33,35,48H,6-14,16,18-20,22-27,29-32,34,36-47H2,1-5H3/b17-15-,28-21-,35-33-/t48-/m1/s1
HMDB08767	PC(24:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1
HMDB08766	PC(24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,28,33,35,48H,6-8,10,12-14,16,18-20,22-27,29-32,34,36-47H2,1-5H3/b11-9-,17-15-,28-21-,35-33-/t48-/m1/s1
HMDB08761	PC(24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h17,19,48H,6-16,18,20-47H2,1-5H3/b19-17-/t48-/m1/s1
HMDB08760	PC(24:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1
HMDB08763	PC(24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h15,17,21,28,48H,6-14,16,18-20,22-27,29-47H2,1-5H3/b17-15-,28-21-/t48-/m1/s1
HMDB08762	PC(24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h21,28,48H,6-20,22-27,29-47H2,1-5H3/b28-21-/t48-/m1/s1
HMDB31589	4-Methyl-2-heptanol	CCCC(C)CC(C)O	InChI=1S/C8H18O/c1-4-5-7(2)6-8(3)9/h7-9H,4-6H2,1-3H3
HMDB31588	6-Methylheptanoic acid	CC(C)CCCCC(O)=O	InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
HMDB31581	Morpholine	C1COCCN1	InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
HMDB31580	()-2-Methylpentanoic acid	CCCC(C)C(O)=O	InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
HMDB31583	3-Methylheptane	CCCCC(C)CC	InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
HMDB31582	6-Methyl-3,5-heptadien-2-one	CC(C)=C\C=C/C(C)=O	InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4-
HMDB31585	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[b-D-Apiofuranosyl-(1-&gt;2)-[4-hydroxy-3-methoxycinnamoyl-(-&gt;2)-b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])OC([H])([H])[C@](O[H])(C([H])([H])O[H])[C@@]2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C(OC([H])([H])[H])=C2O[H]	InChI=1S/C43H48O25/c1-59-22-9-16(3-6-19(22)47)4-8-26(50)66-37-32(55)28(51)24(12-44)64-40(37)61-13-25-29(52)33(56)38(68-42-39(57)43(58,14-45)15-62-42)41(65-25)67-36-31(54)27-23(11-21(49)35(60-2)30(27)53)63-34(36)17-5-7-18(46)20(48)10-17/h3-11,24-25,28-29,32-33,37-42,44-49,51-53,55-58H,12-15H2,1-2H3/b8-4+/t24-,25-,28-,29-,32+,33+,37-,38-,39+,40-,41+,42+,43-/m1/s1
HMDB31584	Myricatomentoside II	COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CC(O)C(=O)CCCC2)=C1	InChI=1S/C27H34O11/c1-35-25-16-11-14(5-3-4-6-18(30)19(31)10-13-7-8-17(29)15(16)9-13)24(26(25)36-2)38-27-23(34)22(33)21(32)20(12-28)37-27/h7-9,11,19-23,27-29,31-34H,3-6,10,12H2,1-2H3
HMDB31587	2-Methylheptanoic acid	CCCCCC(C)C(O)=O	InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
HMDB31586	7-Hydroxy-8-O-methylaloin B	COC1=C(O)C=CC2=C1C(=O)C1=C(C=C(CO)C=C1O)C2C1OC(CO)C(O)C(O)C1O	InChI=1S/C22H24O10/c1-31-21-11(25)3-2-9-14(22-20(30)19(29)17(27)13(7-24)32-22)10-4-8(6-23)5-12(26)15(10)18(28)16(9)21/h2-5,13-14,17,19-20,22-27,29-30H,6-7H2,1H3
HMDB35299	Ganolucidic acid D	CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3	InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h13,16,18,20,22,24,31,34H,8-12,14-15H2,1-7H3,(H,35,36)/b17-13+
HMDB35298	Heliocide H4	CC(C)C1=C(O)C(O)=C(C=O)C2=C1C(=O)C1(C)C(CC=C(C)C)C(C)=CCC1C2=O	InChI=1S/C25H30O5/c1-12(2)7-9-16-14(5)8-10-17-22(28)19-15(11-26)21(27)23(29)18(13(3)4)20(19)24(30)25(16,17)6/h7-8,11,13,16-17,27,29H,9-10H2,1-6H3
HMDB35291	Isoplumbagin	CC1=CC(=O)C2=C(C(O)=CC=C2)C1=O	InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3
HMDB35290	Bis(m-methanethiolato)tetranitrosyldiiron	C[S]1[Fe]2(N=O)(N=O)[S](C)[Fe]12(N=O)N=O	InChI=1S/2CH3S.2Fe.4NO/c2*1-2;;;4*1-2/h2*1H3;;;;;;/q;;2*+2;4*-1
HMDB35293	Norambreinolide	CC12CCC3C(C)(C)CCCC3(C)C1CC(=O)O2	InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3
HMDB35292	Ganodermic acid P2	CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(37)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+
HMDB35295	(3beta,15alpha,22S,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid	CC(C(O)C\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H46O5/c1-17(26(34)35)8-10-22(31)18(2)21-16-25(33)30(7)20-9-11-23-27(3,4)24(32)13-14-28(23,5)19(20)12-15-29(21,30)6/h8-9,12,18,21-25,31-33H,10-11,13-16H2,1-7H3,(H,34,35)/b17-8+
HMDB35294	Ganoderic acid Mk	CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-28(37)34(9)24-11-13-27-31(5,6)29(41-22(4)36)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+
HMDB35297	Heliocide H1	CC(C)C1=C(O)C(O)=C(C=O)C2=C1C(=O)C1(C)CC=C(C)C(CC=C(C)C)C1C2=O	InChI=1S/C25H30O5/c1-12(2)7-8-15-14(5)9-10-25(6)20(15)22(28)18-16(11-26)21(27)23(29)17(13(3)4)19(18)24(25)30/h7,9,11,13,15,20,27,29H,8,10H2,1-6H3
HMDB35296	Fevicordin B 2-gentiobioside	CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCC4=C(C)C(O)=C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C=C4C3(C)C(=O)CC12C	InChI=1S/C43H64O18/c1-18-20-9-10-26-40(5)14-22(46)36(43(8,56)27(47)11-12-39(3,4)61-19(2)45)41(40,6)15-28(48)42(26,7)21(20)13-23(29(18)49)58-38-35(55)33(53)31(51)25(60-38)17-57-37-34(54)32(52)30(50)24(16-44)59-37/h13,22,24-26,30-38,44,46,49-56H,9-12,14-17H2,1-8H3
HMDB39123	Humilixanthin	OCCCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b8-3+,15-4+
HMDB57005	CL(18:0/18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB39122	Crocin 4	COC(=O)C(\C)=C/C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11-,19-14-,20-15+
HMDB39121	Crocin 3	C\C(\C=C\C=C(\C)C(O)=O)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/b6-5+,11-7+,12-8+,17-9+,18-10-,19-13-,20-14+
HMDB36751	ent-8(14),15-Pimaradiene	CC1(C)CCCC2(C)C3CCC(C)(C=C)C=C3CCC12	InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3
HMDB36750	Momilactone C	CC12CC(O)CC3(C)C1C(OC2=O)C=C1CC(C)(CCC31)C=C	InChI=1S/C20H28O3/c1-5-18(2)7-6-14-12(9-18)8-15-16-19(14,3)10-13(21)11-20(16,4)17(22)23-15/h5,8,13-16,21H,1,6-7,9-11H2,2-4H3
HMDB36753	Yucalexin P15	CC1(C)C(O)C(=O)CC2(C)C1CC=C1C(O)C(C)(C=C)C(=O)C=C21	InChI=1S/C20H26O4/c1-6-19(4)15(22)9-12-11(16(19)23)7-8-14-18(2,3)17(24)13(21)10-20(12,14)5/h6-7,9,14,16-17,23-24H,1,8,10H2,2-5H3
HMDB03406	D-Serine	N[C@H](CO)C(O)=O	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
HMDB36755	Yucalexin P8	CC1(C)C(O)C(=O)CC2(C)C1CCC13OC1C(C)(C=C)C(=O)C=C23	InChI=1S/C20H26O4/c1-6-18(4)14(22)9-13-19(5)10-11(21)15(23)17(2,3)12(19)7-8-20(13)16(18)24-20/h6,9,12,15-16,23H,1,7-8,10H2,2-5H3
HMDB36754	Yucalexin P21	CC1(C)C(O)CCC2(C)C3CC(O)C(C)(C=C)C=C3CCC12	InChI=1S/C20H32O2/c1-6-19(4)12-13-7-8-15-18(2,3)16(21)9-10-20(15,5)14(13)11-17(19)22/h6,12,14-17,21-22H,1,7-11H2,2-5H3
HMDB33989	4',5-Dihydroxy-3',7-dimethoxyisoflavone	COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC(OC)=C(O)C=C1	InChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-11(17(16)20)9-3-4-12(18)14(5-9)22-2/h3-8,18-19H,1-2H3
HMDB36756	(ent-6alpha,7alpha,16alphaH)-6,7,17-Trihydroxy-19-kauranoic acid	CC12CCCC(C)(C1C(O)C(O)C13CC(CO)C(C1)CCC23)C(O)=O	InChI=1S/C20H32O5/c1-18-6-3-7-19(2,17(24)25)15(18)14(22)16(23)20-8-11(4-5-13(18)20)12(9-20)10-21/h11-16,21-23H,3-10H2,1-2H3,(H,24,25)
HMDB33987	Ononin	COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C2C1=O	InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3
HMDB33986	Demethylvestitol	OC1=CC(O)=C(C=C1)C1COC2=CC(O)=CC=C2C1	InChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2
HMDB33985	Mulberrofuran S	CC12OC3=C(C=CC(O)=C3)C(C1O)C1=C(OC3=C(C(O)=CC(=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=C2)C1=C(O)C=C(O)C=C1	InChI=1S/C34H24O9/c1-34-14-22-29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)42-32(20-6-4-17(35)11-23(20)38)30(22)31(33(34)40)21-7-5-19(37)13-27(21)43-34/h2-14,31,33,35-40H,1H3
HMDB33984	6-Deoxocastasterone	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C	InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1
HMDB33983	Cyclokievitone	CC1(C)OC2=CC(O)=C3C(=O)C(COC3=C2C=C1)C1=C(O)C=C(O)C=C1	InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3
HMDB33982	2',5,7-Trihydroxyisoflavone; 7-O-b-D-Glucopyranoside	OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=CC=C2O)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-9-5-13(24)16-14(6-9)29-8-11(17(16)25)10-3-1-2-4-12(10)23/h1-6,8,15,18-24,26-28H,7H2
HMDB33981	Cohumulone	CC(C)C(=O)C1=C(O)C(O)(CC=C(C)C)C(O)=C(CC=C(C)C)C1=O	InChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,23-25H,8,10H2,1-6H3
HMDB33980	7-Methoxy-2-methylisoflavone	COC1=CC=C2C(=O)C(=C(C)OC2=C1)C1=CC=CC=C1	InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
HMDB39125	Coumaperine	OC1=CC=C(\C=C/C=C/C(=O)N2CCCCC2)C=C1	InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2-,7-3+
HMDB39124	Crosatoside A	COC1=CC(=CC=C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O16/c1-9-18(32)21(35)24(38)27(40-9)44-26-22(36)19(33)16(8-29)43-28(26)42-13-4-3-10(5-14(13)39-2)25-23(37)20(34)17-12(31)6-11(30)7-15(17)41-25/h3-7,9,16,18-19,21-22,24,26-33,35-38H,8H2,1-2H3
HMDB53924	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44,50,53,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,53-50-
HMDB35129	Citrunobin	COC1=CC(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C2=C1C=CC(C)(C)O2	InChI=1S/C21H20O5/c1-21(2)11-10-15-18(25-3)12-17(24)19(20(15)26-21)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+
HMDB35128	Parkeol	[H][C@@]12CC[C@@]3([H])C(C)(C)C(O)CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC=C(C)C	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25+,26?,28-,29-,30+/m1/s1
HMDB35127	(-)-Myrtenyl isovalerate	CC(C)CC(=O)OCC1=CCC2CC1C2(C)C	InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3
HMDB35126	Myrtenyl acetate	CC(=O)OCC1=CCC2CC1C2(C)C	InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3
HMDB35125	Darwinol	CC1(C)[C@H]2C[C@@H]1C(CO)=CC2	InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m1/s1
HMDB35124	Moretenone	CC(=C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(=O)C(C)(C)C3CCC12C	InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3
HMDB35123	3-Epimoretenol	CC(=C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC12C	InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3
HMDB35122	(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol	C\C(C=C)=C/CC(O)C(C)(C)O	InChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5-6,9,11-12H,1,7H2,2-4H3/b8-6+
HMDB35121	Oryzanol C	COC1=C(O)C=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC(=C)C(C)C)=C1	InChI=1S/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+
HMDB35120	Dehydrolinalool	CC(=C)\C=C/CC(C)(O)C=C	InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6-
HMDB08189	PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29-32,35,37,46H,6-7,9,11-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1
HMDB08188	PC(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29-32,46H,6-7,9,11-13,18-19,23,27-28,33-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1
HMDB55812	TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,37,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36,38-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-35-
HMDB08181	PC(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27-28,30,44H,6-7,9,11-13,18-19,23,26,29,31-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-/t44-/m1/s1
HMDB08180	PC(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27-28,30-31,33,44H,6-13,18-19,23,26,29,32,34-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1
HMDB08183	PC(18:3(6Z,9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h15,17,21,26,30,32,46H,6-14,16,18-20,22-25,27-29,31,33-45H2,1-5H3/b17-15-,26-21-,32-30-/t46-/m1/s1
HMDB08182	PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27-28,30-31,33,44H,6-7,9,11-13,18-19,23,26,29,32,34-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1
HMDB08185	PC(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,26,30,32,46H,6-13,18-19,23-25,27-29,31,33-45H2,1-5H3/b16-14-,17-15-,22-20-,26-21-,32-30-/t46-/m1/s1
HMDB08184	PC(18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h15,17,20-22,26,30,32,46H,6-14,16,18-19,23-25,27-29,31,33-45H2,1-5H3/b17-15-,22-20-,26-21-,32-30-/t46-/m1/s1
HMDB08187	PC(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29-32,35,37,46H,6-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1
HMDB08186	PC(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29-32,46H,6-13,18-19,23,27-28,33-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1
HMDB34458	Isobutyl enanthate	CCCCCCC(=O)OCC(C)C	InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3
HMDB34459	Heptyl formate	CCCCCCCOC=O	InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3
HMDB46879	TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,39,42,44,47-48,51,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB46878	TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,39,42,44,47,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-
HMDB58056	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-37,39-41,76-78,83H,5-24,27-28,31-34,38,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,39-35-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB58057	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-27,29-31,36-38,40-42,77-79,84H,5-24,28,32-35,39,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB58054	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-36,38-39,74-76,81H,5-24,27,31,33-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,32-28-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB58055	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35,37,39,41,76-78,83H,5-24,27,31,33-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,32-28-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB34450	Neocnidilide	CCCCC1OC(=O)C2=CCCCC12	InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3
HMDB34451	Ethyl oleate	CCCCCCCC\C=C\CCCCCCCC(=O)OCC	InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+
HMDB34452	5,6-Dihydro-6-pentyl-2H-pyran-2-one	CCCCCC1CC=CC(=O)O1	InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3
HMDB34453	4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol	OCCC#CC1=CC=C(S1)C1=CC=CS1	InChI=1S/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2
HMDB34454	4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol, 9CI; Ac	CC(=O)OCCC#CC1=CC=C(S1)C1=CC=CS1	InChI=1S/C14H12O2S2/c1-11(15)16-9-3-2-5-12-7-8-14(18-12)13-6-4-10-17-13/h4,6-8,10H,3,9H2,1H3
HMDB34455	Exaltolide	O=C1CCCCCCCCCCCCCCO1	InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2
HMDB34456	9-Methyldecanoic acid	CC(C)CCCCCCCC(O)=O	InChI=1S/C11H22O2/c1-10(2)8-6-4-3-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
HMDB34457	Propyl heptanoate	CCCCCCC(=O)OCCC	InChI=1S/C10H20O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-9H2,1-2H3
HMDB47337	TG(24:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-,52-49-
HMDB47336	TG(24:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,66H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-
HMDB47335	TG(24:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,44,47,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-,47-44-
HMDB47334	TG(24:0/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-
HMDB47333	TG(24:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,39,45,48,54,57,68H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB47332	TG(24:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,39,45,48,68H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-
HMDB58588	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-45,47-48,50-52,54,59-60,62-64,66,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,46,49,53,55-58,61,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,51-47-,52-48-,54-50-,63-59-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB30902	Notoginsenoside G	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3=CC(O)C21C	InChI=1S/C48H80O19/c1-21(2)10-9-13-47(7,67-42-39(61)36(58)33(55)25(19-50)63-42)22-11-15-46(6)31(22)23(52)16-28-45(5)14-12-30(44(3,4)27(45)17-29(53)48(28,46)8)65-43-40(37(59)34(56)26(20-51)64-43)66-41-38(60)35(57)32(54)24(18-49)62-41/h10,17,22-26,28-43,49-61H,9,11-16,18-20H2,1-8H3
HMDB47331	TG(24:0/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,68H,4-16,18-19,21-25,28,31-67H2,1-3H3/b20-17-,29-26-,30-27-
HMDB30903	3-(4-Methylphenyl)oxiranecarboxylic acid	CC1=CC=C(C=C1)C1OC1C(O)=O	InChI=1S/C10H10O3/c1-6-2-4-7(5-3-6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H,11,12)
HMDB58580	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,64-65,68,85-87,92H,5-9,11-13,15-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-63,66-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,68-64-/t85?,86-,87-/m1/s1
HMDB58581	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB58582	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-44,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB47330	TG(24:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,49,52,66H,4-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,29-26-,30-27-,43-40-,52-49-
HMDB58584	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,65-66,70,85-87,92H,5-8,10-12,14-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-64,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,70-66-/t85?,86-,87-/m1/s1
HMDB57208	CL(18:0/18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37-38,41-42,77-79,84H,5-24,28,32-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB58586	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB58587	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB57209	CL(18:0/18:2(9Z,12Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34,37-38,41,76-78,83H,5-24,26-28,30-33,35-36,39-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,38-34-,41-37-/t76?,77-,78-/m1/s1
HMDB15309	Chlormezanone	CN1C(C2=CC=C(Cl)C=C2)S(=O)(=O)CCC1=O	InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
HMDB15308	Idarubicin	C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O	InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
HMDB34988	Gibberellin A60	CC12CCC(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)
HMDB34989	Gibberellin A62	CC12C=CC(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-12(20)5-6-17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)
HMDB15305	Phenobarbital	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1	InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
HMDB34987	Gibberellin A61	CC12CCC(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-12(20)5-6-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)
HMDB34984	(5R,6S)-5,6-Epoxy-7-megastigmen-9-one	CC(=O)\C=C\C12OC1(C)CCCC2(C)C	InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+
HMDB34985	(+)-Fenchone	CC1(C)C2CCC(C)(C2)C1=O	InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
HMDB34982	10-Epijunenol	CC(C)C1CCC2(C)CCCC(=C)C2C1O	InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3
HMDB34983	Cynaratriol	CC1C(O)CC2C1C1OC(=O)C(O)(CO)C1CCC2=C	InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3
HMDB34980	Notoginsenoside Fa	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-52-47(76)42(71)40(69)31(82-52)23-78-50-46(75)41(70)37(66)28(19-60)79-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-53-48(43(72)38(67)29(20-61)80-53)85-54-49(44(73)39(68)30(21-62)81-54)84-51-45(74)36(65)27(64)22-77-51/h10,25-54,60-76H,9,11-23H2,1-8H3
HMDB34981	Sambunigrin	OC[C@H]1O[C@@H](O[C@H](C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1
HMDB30905	1-(4-Methoxyphenyl)-1-penten-3-one	CCC(=O)\C=C\C1=CC=C(OC)C=C1	InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+
HMDB57202	CL(18:0/18:2(9Z,12Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB57203	CL(18:0/18:2(9Z,12Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB45522	TG(20:0/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-52H2,1-3H3/b11-8-,20-17-,29-26-
HMDB29607	Stigmastentriol	CCC(CC(O)C(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3
HMDB29606	Lucyoside O	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H58O9/c1-31(2)12-14-36(30(42)43)15-13-34(6)19(20(36)16-31)8-9-24-33(5)17-21(38)28(32(3,4)23(33)10-11-35(24,34)7)45-29-27(41)26(40)25(39)22(18-37)44-29/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)
HMDB29605	Ginkgolide J	CC1C(=O)OC2CC34C5OC(=O)C3(OC3OC(=O)C(O)C43C(C5O)C(C)(C)C)C12O	InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3
HMDB29604	Lubiminol	CC1C(O)C(O)CC(CO)C11CCC(C1)C(C)=C	InChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3
HMDB29603	Pentane	CCCCC	InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
HMDB29602	4-Phenyl-2-butenal	O=C\C=C\CC1=CC=CC=C1	InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7,9H,8H2/b5-4+
HMDB29601	3-(6-Hydroxy-5-benzofuranyl)-2-propenoic acid; (Z)-form, O-b-D-Glucopyranoside	OCC1OC(OC2=C(\C=C\C(O)=O)C=C3C=COC3=C2)C(O)C(O)C1O	InChI=1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1+
HMDB29600	Hexane	CCCCCC	InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
HMDB57206	CL(18:0/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,37,41,76-78,83H,5-24,27,31,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,32-28-,41-37-/t76?,77-,78-/m1/s1
HMDB30405	D-1-Amino-2-pyrrolidinecarboxylic acid	NN1CCCC1C(O)=O	InChI=1S/C5H10N2O2/c6-7-3-1-2-4(7)5(8)9/h4H,1-3,6H2,(H,8,9)
HMDB29609	5-Methyl-2(3H)-furanone	CC1OC(=O)C=C1	InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
HMDB29608	Angelic acid	C\C=C(\C)C(O)=O	InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
HMDB30404	Armillaripin	COC1=CC(C)=C(C(=O)OC2CC3(C)C2C(C=O)=CC2(O)CC(C)(C)CC32)C(O)=C1	InChI=1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3
HMDB45526	TG(20:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-
HMDB00434	Homoveratric acid	COC1=CC=C(CC(O)=O)C=C1OC	InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
HMDB45869	TG(20:0/18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h21,24,30,37,63H,4-20,22-23,25-29,31-36,38-62H2,1-3H3/b24-21-,37-30-
HMDB45527	TG(20:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,36,39,44,47,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,39-36-,47-44-
HMDB14955	Rosoxacin	CCN1C=C(C(O)=O)C(=O)C2=C1C=C(C=C2)C1=CC=NC=C1	InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)
HMDB45868	TG(20:0/18:2(9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,30,35,61H,4-20,22-23,25-29,31-34,36-60H2,1-3H3/b24-21-,35-30-
HMDB39916	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; D3''-Isomer, 2''x-hydroxy, 3,7-di-Me ether	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC(O)C(C)=C)C(OC)=C(O)C=C1O2	InChI=1S/C25H28O7/c1-12(2)7-8-14-18(30-5)11-20-22(23(14)28)24(29)21-15(9-16(26)13(3)4)25(31-6)17(27)10-19(21)32-20/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3
HMDB39917	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; D3'-Isomer, 2'x-hydroxy, 6,7-di-Me ether	COC1=C(OC)C(CC=C(C)C)=C2C(=O)C3=C(OC2=C1)C=C(O)C(CC(O)C(C)=C)=C3O	InChI=1S/C25H28O7/c1-12(2)7-8-14-21-19(11-20(30-5)25(14)31-6)32-18-10-17(27)15(9-16(26)13(3)4)23(28)22(18)24(21)29/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3
HMDB39914	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; D1''-Isomer(E-), 3''-hydroxy, 3,7-di-Me ether	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(\C=C\C(C)(C)O)C(OC)=C(O)C=C1O2	InChI=1S/C25H28O7/c1-13(2)7-8-14-17(30-5)12-19-21(22(14)27)23(28)20-15(9-10-25(3,4)29)24(31-6)16(26)11-18(20)32-19/h7,9-12,26-27,29H,8H2,1-6H3/b10-9+
HMDB37188	Rhodinyl butyrate	CCCC(=O)OCCC(C)CCCC(C)=C	InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h13H,2,5-11H2,1,3-4H3
HMDB39912	Mangostenol	COC1=C(O)C=C2OC3=C(C(O)=C(CC(O)C(C)=C)C(O)=C3)C(=O)C2=C1CC=C(C)C	InChI=1S/C24H26O7/c1-11(2)6-7-13-20-18(10-17(27)24(13)30-5)31-19-9-16(26)14(8-15(25)12(3)4)22(28)21(19)23(20)29/h6,9-10,15,25-28H,3,7-8H2,1-2,4-5H3
HMDB39913	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; D3''-Isomer, 2''-oxo, 3,7-di-Me ether	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC(=O)C(C)=C)C(OC)=C(O)C=C1O2	InChI=1S/C25H26O7/c1-12(2)7-8-14-18(30-5)11-20-22(23(14)28)24(29)21-15(9-16(26)13(3)4)25(31-6)17(27)10-19(21)32-20/h7,10-11,27-28H,3,8-9H2,1-2,4-6H3
HMDB39910	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; (Z)-form, 3,4'-Di-O-b-D-glucopyranoside	OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O	InChI=1S/C26H32O13/c27-10-17-19(30)21(32)23(34)25(38-17)36-15-5-3-12(4-6-15)1-2-13-7-14(29)9-16(8-13)37-26-24(35)22(33)20(31)18(11-28)39-26/h1-9,17-35H,10-11H2/b2-1-
HMDB39911	Hyperin, 8CI; 2''-O-[b-D-Glucopyranosyl-(1-&gt;3)-a-L-rhamnopyranosyl], 6''-O-a-L-rhamnopyranosyl	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C(O)=C3)C(OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C39H50O25/c1-10-21(45)26(50)29(53)36(57-10)56-9-19-24(48)28(52)35(64-38-31(55)33(22(46)11(2)58-38)62-37-30(54)27(51)23(47)18(8-40)60-37)39(61-19)63-34-25(49)20-16(44)6-13(41)7-17(20)59-32(34)12-3-4-14(42)15(43)5-12/h3-7,10-11,18-19,21-24,26-31,33,35-48,50-55H,8-9H2,1-2H3
HMDB37183	Polysorbate 60	CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](OCCO)[C@H]1OCCO	InChI=1S/C22H42O8/c1-2-3-4-5-6-7-8-9-10-11-20(26)29-16-18(25)21-22(28-15-13-24)19(17-30-21)27-14-12-23/h18-19,21-25H,2-17H2,1H3/t18-,19+,21-,22-/m1/s1
HMDB37182	Polysorbate 20	CCCCCCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO	InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3
HMDB37181	xi-7-Octen-2-ol	CC(O)CCCCC=C	InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3,8-9H,1,4-7H2,2H3
HMDB37180	(S)-Argpyrimidine	CC1=NC(NCCCC(N)C(O)=O)=NC(C)=C1O	InChI=1S/C11H18N4O3/c1-6-9(16)7(2)15-11(14-6)13-5-3-4-8(12)10(17)18/h8,16H,3-5,12H2,1-2H3,(H,17,18)(H,13,14,15)
HMDB37187	Rhodinyl propionate	CCC(=O)OCCC(C)CCCC(C)=C	InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h12H,2,5-10H2,1,3-4H3
HMDB37186	Rhodinyl acetate	CC(CCCC(C)=C)CCOC(C)=O	InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3
HMDB37185	Rhodinyl formate	CC(CCCC(C)=C)CCOC=O	InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3
HMDB00430	24,25-Dihydroxyvitamin D	C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C	InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22-,23-,24+,25?,27-/m1/s1
HMDB45865	TG(20:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-,56-53-
HMDB48128	TG(14:1(9Z)/20:2n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,55H,4-13,20-22,27-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-
HMDB00433	1,3,7,12-Tetrahydroxycholan-24-oic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])C(O)CC2CC(O)CC(O)[C@]12C	InChI=1S/C24H40O6/c1-12(4-7-21(29)30)15-5-6-16-22-17(11-20(28)24(15,16)3)23(2)13(9-18(22)26)8-14(25)10-19(23)27/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13?,14?,15-,16+,17+,18?,19?,20?,22+,23+,24-/m1/s1
HMDB45864	TG(20:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB14950	Phenylbutazone	CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
HMDB45867	TG(20:0/18:2(9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,33,59H,4-20,22-23,25-29,31-32,34-58H2,1-3H3/b24-21-,33-30-
HMDB45866	TG(20:0/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-
HMDB51699	TG(22:1(13Z)/20:2n6/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-25,27-29,34,60H,4-14,16-17,19,21-22,26,30-33,35-59H2,1-3H3/b18-15-,23-20-,27-24-,28-25-,34-29-
HMDB45861	TG(20:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,45-42-
HMDB51698	TG(22:1(13Z)/20:2n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,65H,4-14,16-17,19-23,30-64H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB45860	TG(20:0/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-
HMDB51697	TG(22:1(13Z)/20:2n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,63H,4-14,16-17,19-23,30-62H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB30409	4-Amino-2-methylenebutanoic acid	NCCC(=C)C(O)=O	InChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h1-3,6H2,(H,7,8)
HMDB51696	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,40,43,59H,4-17,19-20,22-24,26,29-32,34-39,41-42,44-58H2,1-3H3/b21-18-,28-25-,33-27-,43-40-
HMDB40814	Isosyringinoside	COC1=CC(\C=C/COC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C23H34O14/c1-32-11-6-10(4-3-5-34-22-19(30)17(28)15(26)13(8-24)35-22)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(9-25)36-23/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3-
HMDB51695	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB51694	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32,34,36,39,42,44,47,62H,4-6,8-9,11-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-
HMDB51693	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,37,42-43,45-46,60H,4-7,9-10,12-16,19,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB51438	TG(22:1(13Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,43,57H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,43-40-
HMDB51692	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34-35,37,42,45,60H,4-7,9-10,12-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-
HMDB45065	TG(18:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,42,45,51,54,64H,4-16,18-19,21-24,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,45-42-,54-51-
HMDB45064	TG(18:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,36,42,45,64H,4-16,18-19,21-24,27,30-33,35,37-41,43-44,46-63H2,1-3H3/b20-17-,28-25-,29-26-,36-34-,45-42-
HMDB45067	TG(18:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,34,40,43,60H,4-7,9-10,12-16,18-19,21-24,27,29-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-,43-40-
HMDB45066	TG(18:0/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,34,60H,4-7,9-10,12-16,18-19,21-24,27,29-33,35-59H2,1-3H3/b11-8-,20-17-,28-25-,34-26-
HMDB45061	TG(18:0/24:1(15Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,62H,4-16,18-19,21-24,27,30-36,38-39,41-61H2,1-3H3/b20-17-,28-25-,29-26-,40-37-
HMDB45060	TG(18:0/24:1(15Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,61H,4-13,15-16,18-22,24,27,29-60H2,1-3H3/b17-14-,26-23-,28-25-
HMDB45063	TG(18:0/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-
HMDB45062	TG(18:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,46,49,62H,4-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,28-25-,29-26-,40-37-,49-46-
HMDB51690	TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,32-33,40,43,58H,4-7,9-10,12-16,19,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,43-40-
HMDB45069	TG(18:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,46,49,62H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-,49-46-
HMDB45068	TG(18:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,37,40,62H,4-7,9-10,12-16,18-19,21-24,27,30-36,38-39,41-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,40-37-
HMDB51434	TG(22:1(13Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,37,40,45,48,59H,4-15,17-18,20-24,29-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-37-,48-45-
HMDB06228	24-Hydroxycalcitriol	C[C@H](CC[C@@H](O)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C	InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-,27-/m1/s1
HMDB51433	TG(22:1(13Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,33,37,40,59H,4-15,17-18,20-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,40-37-
HMDB06229	5-Diphosphoinositol pentakisphosphate	OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O	InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+
HMDB51432	TG(22:1(13Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,59H,4-15,17-18,20-24,29-58H2,1-3H3/b19-16-,27-25-,28-26-
HMDB49659	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,37,40,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,40-37-
HMDB51431	TG(22:1(13Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,43,57H,4-16,18-19,21-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,43-40-
HMDB51430	TG(22:1(13Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,57H,4-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-
HMDB50058	TG(18:1(9Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31-33,37,40,59H,4-6,8-9,11-13,15,18,20-22,24,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,40-37-
HMDB06224	17-beta-estradiol-3-glucuronide	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3	InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23?,24+/m1/s1
HMDB06225	Ercalcitriol	C[C@H](\C=C\[C@H](C)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C	InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
HMDB49652	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49,52,62H,4-7,9-10,12-15,18,22-23,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-
HMDB49653	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30-32,37,40,58H,4-6,9,12-15,18,22-23,27,29,33-36,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-
HMDB49650	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33,35,41,44,62H,4-7,9-10,12-15,18,22-23,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-
HMDB55604	TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,38,41-42,45,51,54,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB49651	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,62H,4-7,9-10,12-15,18,22-23,27,30-31,36-39,42,45-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-
HMDB55605	TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,61H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-
HMDB55508	TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-38,41,58H,4-6,13-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-
HMDB55606	TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,38-39,41-42,64H,4-7,10,13-16,19,22-24,31-37,40,43-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-
HMDB49657	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,62H,4-6,9,12-15,18,22-23,27,30-31,36-39,42,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-
HMDB55607	TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,38-39,41-42,47,50,64H,4-7,10,13-16,19,22-24,31-37,40,43-46,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-
HMDB49654	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-6,9,12-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-
HMDB55506	TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35-36,38-39,55H,4-7,10,13-16,19,22-25,28,31-34,37,40-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,39-36-
HMDB55600	TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,43,46,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB49655	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,60H,4-6,9,12-15,18,22-23,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-
HMDB55601	TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,36-37,39-40,62H,4-7,10,13-16,19,22-24,31-35,38,41-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-
HMDB28749	Aspartyl-Aspartate	NC(CC(O)=O)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C8H12N2O7/c9-3(1-5(11)12)7(15)10-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H,10,15)(H,11,12)(H,13,14)(H,16,17)
HMDB55602	TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-30,36-37,39-40,45,48,62H,4-7,10,13-16,19,22-24,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB28748	Aspartyl-Asparagine	NC(CC(N)=O)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C8H13N3O6/c9-3(1-5(10)12)7(15)11-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)
HMDB55603	TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,38,41-42,45,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-
HMDB55502	TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,36,38-39,41,56H,4-6,13-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-
HMDB55500	TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,55H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-
HMDB28742	Asparaginyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)
HMDB13075	Spermic acid 2	OC(=O)CCNCCCCNCCC(O)=O	InChI=1S/C10H20N2O4/c13-9(14)3-7-11-5-1-2-6-12-8-4-10(15)16/h11-12H,1-8H2,(H,13,14)(H,15,16)
HMDB13076	Spermine dialdehyde	O=CCCNCCCCNCCC=O	InChI=1S/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2
HMDB13071	Somatostatin fragment 3-14	CC(O)C1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)CSSCC[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O)[C@H](C)O)C(O)=O	InChI=1S/C72H98N16O17S2/c1-40(90)59-70(102)85-54(34-44-22-10-5-11-23-44)68(100)88-60(41(2)91)71(103)86-57(38-89)69(101)80-51(72(104)105)28-31-106-107-39-47(75)61(93)78-49(26-14-16-29-73)62(94)84-56(36-58(76)92)67(99)82-52(32-42-18-6-3-7-19-42)64(96)81-53(33-43-20-8-4-9-21-43)65(97)83-55(35-45-37-77-48-25-13-12-24-46(45)48)66(98)79-50(63(95)87-59)27-15-17-30-74/h3-13,18-25,37,40-41,47,49-57,59-60,77,89-91H,14-17,26-36,38-39,73-75H2,1-2H3,(H2,76,92)(H,78,93)(H,79,98)(H,80,101)(H,81,96)(H,82,99)(H,83,97)(H,84,94)(H,85,102)(H,86,103)(H,87,95)(H,88,100)(H,104,105)/t40?,41-,47-,49+,50+,51-,52+,53+,54+,55+,56+,57+,59?,60+/m0/s1
HMDB13070	Sinapyl alcohol	COC1=CC(\C=C\CO)=CC(OC)=C1O	InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
HMDB13072	Somatostatin	C[C@H](O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)C(CSSCC[C@H](NC(=O)[C@@H](CO)NC(=O)C(NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O)C(C)O)C(O)=O)NC(=O)CNC(=O)[C@@H](C)N	InChI=1S/C77H106N18O19S2/c1-42(80)65(101)83-39-62(100)84-60-41-116-115-32-29-53(77(113)114)87-73(109)59(40-96)93-76(112)64(44(3)98)95-72(108)56(35-47-23-11-6-12-24-47)92-75(111)63(43(2)97)94-67(103)52(28-16-18-31-79)85-70(106)57(36-48-38-82-50-26-14-13-25-49(48)50)90-69(105)55(34-46-21-9-5-10-22-46)88-68(104)54(33-45-19-7-4-8-20-45)89-71(107)58(37-61(81)99)91-66(102)51(86-74(60)110)27-15-17-30-78/h4-14,19-26,38,42-44,51-60,63-64,82,96-98H,15-18,27-37,39-41,78-80H2,1-3H3,(H2,81,99)(H,83,101)(H,84,100)(H,85,106)(H,86,110)(H,87,109)(H,88,104)(H,89,107)(H,90,105)(H,91,102)(H,92,111)(H,93,112)(H,94,103)(H,95,108)(H,113,114)/t42-,43+,44?,51-,52-,53+,54-,55-,56-,57-,58-,59-,60?,63-,64?/m1/s1
HMDB13078	Stearoylethanolamide	CCCCCCCCCCCCCCCCCC(=O)NCCO	InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)
HMDB55115	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-6,8,11,13-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51-
HMDB47022	TG(24:0/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-55H2,1-3H3/b11-8-,20-17-,32-25-
HMDB11208	PC(P-16:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-/t41-/m1/s1
HMDB55116	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,47,50,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,35,37,40,42-46,48-49,51-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,50-47-
HMDB00382	3b,17a,21-Trihydroxypregnenone	[H][C@@]12CC[C@](O)(CCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C	InChI=1S/C21H32O4/c1-19-7-5-17-15(16(19)6-8-21(19,25)9-10-22)4-3-13-11-14(23)12-18(24)20(13,17)2/h12-13,15-17,22-23,25H,3-11H2,1-2H3/t13?,15-,16-,17-,19-,20-,21-/m0/s1
HMDB55117	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-37,40-45,49-54,64H,4-8,10-11,13-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB12674	3(S)-3-hydroxydodecen-(5Z)-oyl-CoA	CCCCCC\C=C/C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h9-10,19-22,26-28,32,41,44-45H,4-8,11-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b10-9-/t21-,22+,26-,27-,28?,32+/m0/s1
HMDB53134	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,34-35,38,40,43,60H,4-7,9-10,12-15,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-
HMDB47492	TG(24:0/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,68H,4-17,19-20,22-25,28,31-67H2,1-3H3/b21-18-,29-26-,30-27-
HMDB00389	2'-Deoxysepiapterin	CCC(=O)C1=NC2=C(NC1)NC(N)=NC2=O	InChI=1S/C9H11N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)
HMDB00388	3a,16-Dihydroxyandrostenone	[H][C@@]12CC(O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C	InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13?,14-,15+,16+,18-,19+/m1/s1
HMDB47493	TG(24:0/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,70H,4-17,19-20,22-24,26,29,31-69H2,1-3H3/b21-18-,28-25-,30-27-
HMDB45418	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30-32,37-38,40-41,58H,4-6,9,12-15,18,21-24,27,29,33-36,39,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-
HMDB04400	5-Acetylamino-6-amino-3-methyluracil	CN1C(=O)NC(N)=C(NC(C)=O)C1=O	InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)
HMDB00579	Deuteroporphyrin IX	CC1=C/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(C=C4C)\C=C\1/N\2)/C(CCC(O)=O)=C3C	InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31,34H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-
HMDB14858	Clodronate	OP(O)(=O)C(Cl)(Cl)P(O)(O)=O	InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
HMDB14859	Procaine	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1	InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
HMDB45419	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,60H,4-6,9,12-15,18,21-24,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-
HMDB00570	Coproporphyrin III	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C	InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
HMDB14853	Paroxetine	FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1	InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
HMDB00572	Desmosine	NC(CCCC[N+]1=CC(CC[C@H](N)C(O)=O)=C(CCC[C@H](N)C(O)=O)C(CC[C@H](N)C(O)=O)=C1)C(O)=O	InChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17?,18-,19-,20-/m0/s1
HMDB00573	Elaidic acid	CCCCCCCC\C=C\CCCCCCCC(O)=O	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
HMDB00574	L-Cysteine	N[C@@H](CS)C(O)=O	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
HMDB00575	DL-Homocystine	NC(CCSSCCC(N)C(O)=O)C(O)=O	InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
HMDB00576	Monoethyl malonic acid	CCOC(=O)CC(O)=O	InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
HMDB00577	5beta-Coprostanol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB43544	TG(15:0/22:2(13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,59H,4-16,18-19,21-25,27,29-58H2,1-3H3/b20-17-,28-26-
HMDB43545	TG(15:0/22:2(13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,61H,4-16,18-19,21-25,27,29-60H2,1-3H3/b20-17-,28-26-
HMDB43546	TG(15:0/22:2(13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,51H,4-14,17,20-23,26-50H2,1-3H3/b18-15-,19-16-,25-24-
HMDB08757	PC(24:0/15:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@](C)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C48H96NO8P/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-46(50)54-44-48(3,45-56-58(52,53)55-43-42-49(4,5)6)57-47(51)41-39-37-35-33-30-20-18-16-14-12-10-8-2/h7-45H2,1-6H3/t48-/m1/s1
HMDB43540	TG(15:0/22:2(13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h16,19,25-26,52H,4-15,17-18,20-24,27-51H2,1-3H3/b19-16-,26-25-
HMDB43541	TG(15:0/22:2(13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,53H,4-15,17-18,20-24,27-52H2,1-3H3/b19-16-,26-25-
HMDB44349	TG(16:0/20:3n6/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,56H,4-15,18,21-24,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-
HMDB43542	TG(15:0/22:2(13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-
HMDB43543	TG(15:0/22:2(13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-
HMDB11327	PC(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25-26,29,31,40,43,47H,6-7,9,11-13,15,17-19,24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,26-25-,31-29-,43-40-/t47-/m1/s1
HMDB11326	PC(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
HMDB11325	PC(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,40,43,47H,6-13,15,17-19,24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,43-40-/t47-/m1/s1
HMDB11324	PC(P-18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,40,43,47H,6-13,15,17-19,24-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,43-40-/t47-/m1/s1
HMDB11323	PC(P-18:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,40,43,47H,6-19,24-39,41-42,44-46H2,1-5H3/b22-20-,23-21-,43-40-/t47-/m1/s1
HMDB11322	PC(P-18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,40,43,47H,6-20,22,24-39,41-42,44-46H2,1-5H3/b23-21-,43-40-/t47-/m1/s1
HMDB11321	PC(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,33-31-,41-38-
HMDB11320	PC(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,41-38-/t45-/m1/s1
HMDB43548	TG(15:0/22:2(13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,55H,4-15,17-18,21-22,24,26,28-54H2,1-3H3/b19-16-,23-20-,27-25-
HMDB11329	PC(P-18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h21,23,42,45,49H,6-20,22,24-41,43-44,46-48H2,1-5H3/b23-21-,45-42-/t49-/m1/s1
HMDB11328	PC(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
HMDB45416	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49,52,62H,4-7,9-10,12-15,18,21-24,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-
HMDB49038	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,30-31,36,39,45,48,57H,4-6,8-9,11-13,15,18,20,22,28-29,32-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,39-36-,48-45-
HMDB06809	Nicotinate D-ribonucleoside	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[N+]1=CC(=CC=C1)C(O)=O	InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1
HMDB06806	Propinol adenylate	CCC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	InChI=1S/C13H18N5O8P/c1-2-7(19)26-27(22,23)24-3-6-9(20)10(21)13(25-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1
HMDB06807	3-Hydroxypropionyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CCO	InChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1
HMDB06804	Propynoic acid	OC(=O)C#C	InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
HMDB06805	Beta-Alanyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CCN	InChI=1S/C24H41N8O17P3S/c1-24(2,19(36)22(37)28-6-4-14(33)27-7-8-53-15(34)3-5-25)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,35-36H,3-10,25H2,1-2H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1
HMDB06802	O-Phospho-4-hydroxy-L-threonine	N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O	InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
HMDB06803	2-Propyn-1-al	O=CC#C	InChI=1S/C3H2O/c1-2-3-4/h1,3H
HMDB06800	Beta-D-Fructose 2-phosphate	OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-1-3-4(9)5(10)6(2-8,14-3)15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1
HMDB06801	2-Oxo-3-hydroxy-4-phosphobutanoic acid	O[C@H](COP(O)(O)=O)C(=O)C(O)=O	InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1
HMDB55251	TG(18:3(9Z,12Z,15Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,42,45,51,54,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,54-51-
HMDB50878	TG(20:3(5Z,8Z,11Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38-39,42,56H,4-15,17-18,20-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB50879	TG(20:3(5Z,8Z,11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-15,17-18,20-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB50870	TG(20:3(5Z,8Z,11Z)/14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24-27,32,34,39,42,56H,4-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b26-24-,27-25-,34-32-,42-39-
HMDB50871	TG(20:3(5Z,8Z,11Z)/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,34,36,41,44,58H,4-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b26-24-,27-25-,36-34-,44-41-
HMDB50872	TG(20:3(5Z,8Z,11Z)/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,29-30,32,37,40,53H,4-19,21-22,25,28,31,33-36,38-39,41-52H2,1-3H3/b23-20-,26-24-,29-27-,32-30-,40-37-
HMDB50873	TG(20:3(5Z,8Z,11Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-29,31,33,35-36,39,52H,4-16,18-19,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB50874	TG(20:3(5Z,8Z,11Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,30,32,37,40,53H,4-13,15-16,18-22,27-29,31,33-36,38-39,41-52H2,1-3H3/b17-14-,25-23-,26-24-,32-30-,40-37-
HMDB50875	TG(20:3(5Z,8Z,11Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-33,38,41,54H,4-15,17-18,20-23,28-29,34-37,39-40,42-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB50876	TG(20:3(5Z,8Z,11Z)/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-33,37-38,40-41,54H,4-15,17-18,20-23,28-29,34-36,39,42-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB50877	TG(20:3(5Z,8Z,11Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,32,34,39,42,56H,4-15,17-18,20-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b19-16-,26-24-,27-25-,34-32-,42-39-
HMDB47498	TG(24:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,49,52,66H,4-16,19,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-,52-49-
HMDB49566	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,33,58H,4-8,10-11,13-15,17,22,24,26,29-32,34-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-
HMDB47499	TG(24:0/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,68H,4-16,19,22-25,28,31-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-
HMDB45412	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,38-39,42,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-
HMDB48888	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-39,41-42,60H,4-15,18,22-23,29-30,35-37,40,43-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB32530	Thujyl alcohol	CC(C)C12CC1C(C)C(O)C2	InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3
HMDB48889	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-39,41-42,47,50,60H,4-15,18,22-23,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-
HMDB45413	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB48885	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,40,58H,4-15,18,22-23,29,31,34-35,38-39,41-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-
HMDB48886	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,40,42,45,58H,4-15,18,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB06111	12-HETE	CCCCC\C=C/CC(O)\C=C/C=C\C\C=C\CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-
HMDB06112	Malondialdehyde	O=CCC=O	InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
HMDB06115	Benzaldehyde	O=CC1=CC=CC=C1	InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
HMDB06116	3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC(O)=CC=C1	InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
HMDB06117	APGPR Enterostatin	C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	InChI=1S/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1
HMDB06119	7b-Hydroxycholesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
HMDB04985	Aspartylysine	NCCCC[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O	InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-8(14)5-6(12)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-/m0/s1
HMDB04987	Alpha-Aspartyl-lysine	NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O	InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1
HMDB55254	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-22,26-31,35,38,55H,4-7,10,13-16,23-25,32-34,36-37,39-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-
HMDB04980	cis-4-Decenoic acid	CCCCC\C=C/CCC(O)=O	InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/b7-6-
HMDB04983	Dimethyl sulfone	CS(C)(=O)=O	InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
HMDB04982	cis-4-Octenedioic acid	OC(=O)CC\C=C/CCC(O)=O	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1-
HMDB04989	m-Tyramine	NCCC1=CC(O)=CC=C1	InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
HMDB04988	Pi-Methylimidazoleacetic acid	CN1C=NC=C1CC(O)=O	InChI=1S/C6H8N2O2/c1-8-4-7-3-5(8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)
HMDB30344	(R)-Pronuciferine	COC1=CC2=C3C(CC4(C=CC(=O)C=C4)C3=C1OC)N(C)CC2	InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3
HMDB30345	6-Acetyl-1,2,3,4-tetrahydropyridine	CC(=O)C1=NCCCC1.CC(=O)C1=CCCCN1	InChI=1S/2C7H11NO/c2*1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3;4,8H,2-3,5H2,1H3
HMDB30346	(S)-Actinidine	CC1CCC2=C1C=NC=C2C	InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3
HMDB30347	N-(p-Hydroxyphenethyl)actinidine	CC1CCC2=C1C=[N+](CCC1=CC=C(O)C=C1)C=C2C	InChI=1S/C18H21NO/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15/h4-7,11-13H,3,8-10H2,1-2H3/p+1
HMDB30340	Piperolein B	O=C(CCCCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1	InChI=1S/C21H29NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+
HMDB30341	Piplartine	COC1=CC(\C=C\C(=O)N2CCC=CC2=O)=CC(OC)=C1OC	InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
HMDB30342	Platydesminium	COC1=C2CC(OC2=[N+](C)C2=C1C=CC=C2)C(C)(C)O	InChI=1S/C16H20NO3/c1-16(2,18)13-9-11-14(19-4)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13,18H,9H2,1-4H3/q+1
HMDB30343	Corchoroside B	CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=CC(=O)OC2)C(O)C(O)C1O	InChI=1S/C29H42O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12-13,15,18-21,23-26,31-34H,4-11,14H2,1-3H3
HMDB30348	Anonaine	C1OC2=C(O1)C1=C3C(CC4=C1C=CC=C4)NCCC3=C2	InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2
HMDB30349	N-Acetylanonaine	CC(=O)N1CCC2=CC3=C(OCO3)C3=C2C1CC1=C3C=CC=C1	InChI=1S/C19H17NO3/c1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18/h2-5,9,15H,6-8,10H2,1H3
HMDB51051	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25-29,36-37,39,45,48,62H,4-24,30-35,38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,36-27-,39-37-,48-45-
HMDB51050	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34-35,37,43,46,60H,4-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b28-25-,29-26-,34-27-,37-35-,46-43-
HMDB51053	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-28,30-32,34,36,39-40,43,56H,4-16,18-19,21-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB51052	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,31-33,35,41,44,57H,4-19,21-22,24,26,30,34,36-40,42-43,45-56H2,1-3H3/b23-20-,28-25-,31-27-,32-29-,35-33-,44-41-
HMDB51055	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-36,42,45,58H,4-15,17-18,20-24,30-31,37-41,43-44,46-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-
HMDB51054	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,31,33,35,41,44,57H,4-13,15-16,18-22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB51057	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34-35,37,43,46,60H,4-15,17-18,20-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB51056	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-36,41-42,44-45,58H,4-15,17-18,20-24,30-31,37-40,43,46-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB51059	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-15,17-18,20-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB51058	TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-35,37-38,41,43,46,60H,4-15,17-18,20-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB55961	DG(14:0/0:0/18:1n7)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h13,15,33,36H,3-12,14,16-32H2,1-2H3/b15-13-
HMDB55960	DG(14:0/0:0/16:1n7)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h16,18,31,34H,3-15,17,19-30H2,1-2H3/b18-16+
HMDB55963	DG(14:0/0:0/20:1n9)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,35,38H,3-15,18-34H2,1-2H3/b17-16-
HMDB55962	DG(14:0/0:0/18:1n9)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,33,36H,3-15,18-32H2,1-2H3/b17-16-
HMDB55965	DG(14:0/0:0/22:1n9)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h16-17,37,40H,3-15,18-36H2,1-2H3/b17-16-
HMDB55964	DG(14:0/0:0/20:3n9)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,19-20,24,26,35,38H,3-15,18,21-23,25,27-34H2,1-2H3/b17-16-,20-19-,26-24-
HMDB55967	DG(14:0/0:0/18:2n6)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h13,15,17-18,34,37H,3-12,14,16,19-33H2,1-2H3/b15-13-,18-17-
HMDB55966	DG(14:0/0:0/24:1n9)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,39,42H,3-15,18-38H2,1-2H3/b17-16-
HMDB55969	DG(14:0/0:0/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h9,11,15-16,34,37H,3-8,10,12-14,17-33H2,1-2H3/b11-9-,16-15-
HMDB45753	TG(20:0/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,34,60H,4-15,17-18,20-24,26,29-33,35-59H2,1-3H3/b19-16-,28-25-,34-27-
HMDB56700	CL(16:0/18:2(9Z,12Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB56701	CL(16:0/18:2(9Z,12Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-26,29-30,34-35,70-72,77H,5-24,27-28,31-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,35-34-/t70?,71-,72-/m1/s1
HMDB56702	CL(16:0/18:2(9Z,12Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C76H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-26,28-30,32,34-35,70-72,77H,5-24,27,31,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,32-28-,35-34-/t70?,71-,72-/m1/s1
HMDB56703	CL(16:0/18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-27,29-31,35-38,73-75,80H,5-24,28,32-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB56704	CL(16:0/18:2(9Z,12Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1
HMDB56705	CL(16:0/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36,39,74-76,81H,5-24,28,32-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,39-36-/t74?,75-,76-/m1/s1
HMDB56706	CL(16:0/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,38-39,74-76,81H,5-24,27-28,31-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB56707	CL(16:0/18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB56708	CL(16:0/18:2(9Z,12Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB56709	CL(16:0/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB47388	TG(24:0/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-39-42-45-48-51-54-57-63(65)68-61-62(60-67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)69-64(66)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h20,23,29,36,62H,4-19,21-22,24-28,30-35,37-61H2,1-3H3/b23-20-,36-29-
HMDB03063	(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene	CC(C)=CCC\C(C)=C\CC\C(C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-
HMDB47389	TG(24:0/18:3(6Z,9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,40,48,51,66H,4-17,19-20,22-26,28-39,41-47,49-50,52-65H2,1-3H3/b21-18-,40-27-,51-48-
HMDB03066	Chalcone	O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
HMDB39192	2-Cinnamoyl-1,6-digalloyl-beta-D-glucopyranose	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C/C2=CC=CC=C2)C1O	InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)41-12-20-24(37)25(38)26(43-21(34)7-6-13-4-2-1-3-5-13)29(42-20)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6-
HMDB03069	20a-Dihydroprogesterone	[H][C@@]12CC[C@H]([C@@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
HMDB39193	2-O-(4-Hydroxycinnamoyl)-1,6-di-O-galloyl-beta-D-glucopyranose	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C/C2=CC=C(O)C=C2)C1O	InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)44-26-25(39)24(38)20(11-42-27(40)13-7-16(31)22(36)17(32)8-13)43-29(26)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3-
HMDB45751	TG(20:0/18:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32-33,35,58H,4-15,17-18,20-24,26,29-31,34,36-57H2,1-3H3/b19-16-,28-25-,32-27-,35-33-
HMDB47382	TG(24:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,35-36,61H,4-8,10-11,13-17,19,22,24-26,28,30-34,37-60H2,1-3H3/b12-9-,21-18-,23-20-,35-27-,36-29-
HMDB47383	TG(24:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,35-36,41,44,61H,4-8,10-11,13-17,19,22,24-26,28,30-34,37-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,23-20-,35-27-,36-29-,44-41-
HMDB47380	TG(24:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,37,39,42,45,65H,4-16,18-19,22-23,25,27-28,31-34,36,38,40-41,43-44,46-64H2,1-3H3/b20-17-,24-21-,29-26-,37-35-,39-30-,45-42-
HMDB47381	TG(24:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,37,39,42,45,51,54,65H,4-16,18-19,22-23,25,27-28,31-34,36,38,40-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,24-21-,29-26-,37-35-,39-30-,45-42-,54-51-
HMDB47386	TG(24:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35,37,39,42,45,65H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,36,38,40-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-35-,39-30-,45-42-
HMDB47387	TG(24:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35,37,39,42,45,51,54,65H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,36,38,40-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-35-,39-30-,45-42-,54-51-
HMDB39198	Camelliin B	OC1OC2COC(=O)C3=CC4=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C(O)=C2C(=C1)C(=O)OC1C(COC(=O)C3=C2C(O)=C(O)C(O)=C3)OC(OC(=O)C2=C(O4)C(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C75H52O48/c76-24-1-15(2-25(77)42(24)86)65(101)119-61-59-36-13-111-69(105)20-11-34(49(93)53(97)40(20)39-19(70(106)117-59)8-31(83)46(90)52(39)96)113-58-23(10-33(85)48(92)56(58)100)73(109)123-75-64(122-67(103)17-5-28(80)44(88)29(81)6-17)62(120-66(102)16-3-26(78)43(87)27(79)4-16)60-37(116-75)14-112-68(104)18-7-30(82)45(89)51(95)38(18)41-21(71(107)118-60)12-35(50(94)54(41)98)114-57-22(9-32(84)47(91)55(57)99)72(108)121-63(61)74(110)115-36/h1-12,36-37,59-64,74-100,110H,13-14H2
HMDB39199	Camelliin A	OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1C(COC2=O)OC(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC12	InChI=1S/C68H48O44/c69-20-1-12(2-21(70)37(20)77)59(92)109-55-53-29(10-102-60(93)13-3-22(71)38(78)45(85)31(13)32-14(62(95)107-53)4-23(72)39(79)46(32)86)105-67(100)57(55)112-66(99)19-8-27(76)43(83)51(91)52(19)104-28-9-18-36(50(90)44(28)84)35-15(5-24(73)42(82)49(35)89)63(96)108-54-30(11-103-61(18)94)106-68(101)58-56(54)110-64(97)16-6-25(74)40(80)47(87)33(16)34-17(65(98)111-58)7-26(75)41(81)48(34)88/h1-9,29-30,53-58,67-91,100-101H,10-11H2
HMDB44725	TG(18:0/16:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB02916	4-Nitrocatechol	OC1=CC=C(C=C1O)[N+]([O-])=O	InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
HMDB02917	D-Xylitol	OC[C@H](O)C(O)[C@H](O)CO	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
HMDB44724	TG(18:0/16:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB44729	TG(18:0/16:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25-
HMDB31918	Suspensolide F	CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(O)(CO)C12	InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3
HMDB31919	Chaetoglobosin N	CC(C1NC(=O)C23C1C(C)C1(C)OC1C2\C=C\CC(C)\C=C(C)\C(=O)C(=O)CCC3=O)C1=CNC2=C1C=CC=C2	InChI=1S/C33H38N2O5/c1-17-9-8-11-23-30-32(5,40-30)20(4)27-28(19(3)22-16-34-24-12-7-6-10-21(22)24)35-31(39)33(23,27)26(37)14-13-25(36)29(38)18(2)15-17/h6-8,10-12,15-17,19-20,23,27-28,30,34H,9,13-14H2,1-5H3,(H,35,39)/b11-8+,18-15+
HMDB31916	5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran	CC(C)=CCCC(O)C1=CC2=C(O1)C=CC(O)=C2	InChI=1S/C15H18O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,13,16-17H,3,5H2,1-2H3
HMDB31917	Dulxanthone C	COC1=C(O)C2=C(C(CC=C(C)C)=C1)C(=O)C1=C(O2)C(CC=C(C)C)=C(OC)C=C1O	InChI=1S/C25H28O6/c1-13(2)7-9-15-11-19(30-6)22(27)25-20(15)23(28)21-17(26)12-18(29-5)16(24(21)31-25)10-8-14(3)4/h7-8,11-12,26-27H,9-10H2,1-6H3
HMDB31914	Anhydrosafflor Yellow B	OCC(O)C(O)C(O)C1OC2=C(C1C1=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)\C=C\C3=CC=C(O)C=C3)C1=O)C(=O)C(C(=O)\C=C\C1=CC=C(O)C=C1)=C(O)C2(O)C1OC(CO)C(O)C(O)C1O	InChI=1S/C48H52O26/c49-13-22(56)30(57)37(64)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(67)47(70,43(28)69)45-38(65)35(62)31(58)23(14-50)72-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(68)48(71,44(29)74-40)46-39(66)36(63)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-71H,13-15H2/b11-5+,12-6+
HMDB31915	Omphalotin A	CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)C	InChI=1S/C69H115N13O12/c1-26-43(14)54-64(89)79(22)58(42(12)13)69(94)80(23)56(40(8)9)65(90)76(19)37-52(85)77(20)57(41(10)11)68(93)82(25)60(45(16)28-3)67(92)75(18)36-51(84)72-53(38(4)5)63(88)81(24)59(44(15)27-2)66(91)74(17)35-50(83)71-49(33-46-34-70-48-32-30-29-31-47(46)48)62(87)78(21)55(39(6)7)61(86)73-54/h29-32,34,38-45,49,53-60,70H,26-28,33,35-37H2,1-25H3,(H,71,83)(H,72,84)(H,73,86)
HMDB31912	Porric acid A	COC1=CC2=C(OC3=C(O)C(OC)=CC(C)=C23)C(=C1)C(O)=O	InChI=1S/C16H14O6/c1-7-4-11(21-3)13(17)15-12(7)9-5-8(20-2)6-10(16(18)19)14(9)22-15/h4-6,17H,1-3H3,(H,18,19)
HMDB31913	5alpha-Tomatidan-3-one	CC1C2C(CC3C4CCC5CC(=O)CCC5(C)C4CCC23C)OC11CCC(C)CN1	InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3
HMDB31910	Chatenaytrienin 1	CCCCCCCCCC\C=C\CC\C=C\CC\C=C/CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h12-13,16-17,20-21,32-33H,3-11,14-15,18-19,22-31H2,1-2H3/b13-12+,17-16+,21-20-
HMDB31911	Porric acid B	COC1=CC(C)=C2C3=C(OC2=C1O)C(=CC(O)=C3)C(O)=O	InChI=1S/C15H12O6/c1-6-3-10(20-2)12(17)14-11(6)8-4-7(16)5-9(15(18)19)13(8)21-14/h3-5,16-17H,1-2H3,(H,18,19)
HMDB50016	TG(18:1(9Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-33,35,57H,4-6,8-9,11-15,17-18,21-22,24,26,30,34,36-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,32-29-,35-33-
HMDB50017	TG(18:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-33,35,41,44,57H,4-6,8-9,11-15,17-18,21-22,24,26,30,34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,32-29-,35-33-,44-41-
HMDB50014	TG(18:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,19-20,22,26-31,55H,4-7,9-10,12-16,18,21,23-25,32-54H2,1-3H3/b11-8-,20-17-,22-19-,29-26-,30-27-,31-28-
HMDB50015	TG(18:1(9Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,19-20,22,26-31,35,38,55H,4-7,9-10,12-16,18,21,23-25,32-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,22-19-,29-26-,30-27-,31-28-,38-35-
HMDB50012	TG(18:1(9Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-34,37,40,59H,4-15,17-18,21-22,24,26,30,35-36,38-39,41-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-
HMDB50013	TG(18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-34,37,40,46,49,59H,4-15,17-18,21-22,24,26,30,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,49-46-
HMDB50011	TG(18:1(9Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,33-34,59H,4-15,17-18,21-22,24,26,30-32,35-58H2,1-3H3/b19-16-,23-20-,28-25-,33-27-,34-29-
HMDB50018	TG(18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-34,37,40,59H,4-6,8-9,11-15,17-18,21-22,24,26,30,35-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-
HMDB50019	TG(18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-34,37,40,46,49,59H,4-6,8-9,11-15,17-18,21-22,24,26,30,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,49-46-
HMDB54706	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,35-37,54H,4-7,9-10,12-14,21-23,27,31-32,34,38-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-
HMDB54707	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB54704	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,44,47,58H,4-14,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-
HMDB54705	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,36,54H,4-7,9-10,12-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-
HMDB54702	TG(22:4(7Z,10Z,13Z,16Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,37,42,45,65H,4-16,18-19,21-25,27-28,30-34,36,38-41,43-44,46-64H2,1-3H3/b20-17-,29-26-,37-35-,45-42-
HMDB54703	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,58H,4-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB54700	TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB54701	TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54,57,68H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-
HMDB48041	TG(14:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,56H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-
HMDB54708	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38-39,42,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB54709	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB48026	TG(14:1(9Z)/22:1(13Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,24-26,30,54H,4-14,16-17,19-23,27-29,31-53H2,1-3H3/b18-15-,26-24-,30-25-
HMDB48027	TG(14:1(9Z)/22:1(13Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,56H,4-14,16-17,19-23,28-55H2,1-3H3/b18-15-,26-24-,27-25-
HMDB48024	TG(14:1(9Z)/22:1(13Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,20,23-25,52H,4-14,16-17,19,21-22,26-51H2,1-3H3/b18-15-,23-20-,25-24-
HMDB48025	TG(14:1(9Z)/22:1(13Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,54H,4-14,16-17,19,21-22,25,27-53H2,1-3H3/b18-15-,23-20-,26-24-
HMDB48022	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,53H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,26-24-,31-29-,40-37-
HMDB48023	TG(14:1(9Z)/22:1(13Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-15,17-18,23-24,50H,4-13,16,19-22,25-49H2,1-3H3/b17-14-,18-15-,24-23-
HMDB48020	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-14,17,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB48021	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-14,17,20-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB48028	TG(14:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,32,34,40,43,56H,4-14,16-17,19-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,26-24-,27-25-,34-32-,43-40-
HMDB48029	TG(14:1(9Z)/22:1(13Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-
HMDB48042	TG(14:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,40,43,56H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,43-40-
HMDB47257	TG(24:0/18:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36-37,39,62H,4-16,18-19,21-25,28,30-35,38,40-61H2,1-3H3/b20-17-,29-26-,36-27-,39-37-
HMDB48043	TG(14:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,36,39,58H,4-6,8-9,11-14,17,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,39-36-
HMDB42134	TG(14:0/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h24-25,52H,4-23,26-51H2,1-3H3/b25-24-
HMDB42135	TG(14:0/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h24-25,54H,4-23,26-53H2,1-3H3/b25-24-
HMDB32258	(+/-)-Ethyl 3-acetoxy-2-methylbutyrate	CCOC(=O)C(C)C(C)OC(C)=O	InChI=1S/C9H16O4/c1-5-12-9(11)6(2)7(3)13-8(4)10/h6-7H,5H2,1-4H3
HMDB32259	Ethyl 4-(acetylthio)butyrate	CCOC(=O)CCCSC(C)=O	InChI=1S/C8H14O3S/c1-3-11-8(10)5-4-6-12-7(2)9/h3-6H2,1-2H3
HMDB32254	Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane	FC(F)=C(F)F.OS(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F	InChI=1S/C7HF13O5S.C2F4/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23;3-1(4)2(5)6/h(H,21,22,23);
HMDB32255	N-[(Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide	CCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C	InChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)
HMDB32256	(+-)-Ethyl 3-hydroxy-2-methylbutyrate	CCC(O)(CC)\C=C\CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C	InChI=1S/C30H48O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h9,13-14,18,21,25-28,31-33H,4,6-8,10-12,15-17,19-20H2,1-3,5H3/b18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1
HMDB32257	Ethyl abietate	CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C	InChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
HMDB32250	Dodecyl propionate	CCCCCCCCCCCCOC(=O)CC	InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3
HMDB32251	(+/-)-2,8-Epithio-cis-p-menthane	CC1CCC2CC1SC2(C)C	InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
HMDB32252	Epoxyoxophorone	CC12OC1C(=O)CC(C)(C)C2=O	InChI=1S/C9H12O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6H,4H2,1-3H3
HMDB32253	Ethane-1,1-dithiol	CC(S)S	InChI=1S/C2H6S2/c1-2(3)4/h2-4H,1H3
HMDB01335	Prostaglandin I2	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(C[C@H]12)=CCCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
HMDB57548	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H136O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,29,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB01337	Leukotriene A4	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1
HMDB01336	3,4-Dihydroxybenzeneacetic acid	OC(=O)CC1=CC=C(O)C(O)=C1	InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
HMDB01330	2-Amino-3-carboxymuconic acid semialdehyde	N\C(C(O)=O)=C(\C=C/C=O)/C(O)=O	InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1-,5-4-
HMDB01333	Manganese	[Mn++]	InChI=1S/Mn/q+2
HMDB57541	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35-36,38-40,44,47,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-43,45-46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-/t76?,77-,78-/m1/s1
HMDB57540	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-35,37-39,43,46,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-43-/t75?,76-,77-/m1/s1
HMDB57543	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,29-30,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57542	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,38,40,42,45-46,48,54,58,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,41,43-44,47,49-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-/t77?,78-,79-/m1/s1
HMDB01339	Glutaryl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O	InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21?,25-/m1/s1
HMDB01338	Palmityl-CoA	CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32?,36-/m1/s1
HMDB57547	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB57546	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,28-29,32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB45267	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,35,38,44,47,56H,4-15,17-18,20,22-23,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,38-35-,47-44-
HMDB45266	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,33,36,42,45,54H,4-14,17,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,36-33-,45-42-
HMDB45265	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,52,55,64H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,29-26-,37-34-,46-43-,55-52-
HMDB45264	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,33,35,41,44,50,53,62H,4-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,29-26-,35-33-,44-41-,53-50-
HMDB45263	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,39,42,48,51,60H,4-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,33-31-,42-39-,51-48-
HMDB45262	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,30-31,37,40,46,49,58H,4-15,17-18,20-24,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,28-25-,31-30-,40-37-,49-46-
HMDB45261	TG(18:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-
HMDB45260	TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-
HMDB45269	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30-32,37,40,46,49,58H,4-15,17-18,20-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,40-37-,49-46-
HMDB45268	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,30-31,37,40,46,49,58H,4-15,17-18,21-22,24,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,40-37-,49-46-
HMDB46796	TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,36,39,45,48,66H,4-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,39-36-,48-45-
HMDB46797	TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,66H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB46794	TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37-38,41,43,46,64H,4-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB46795	TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB43319	TG(15:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-34,39-40,42-43,55H,4-24,29-30,35-38,41,44-54H2,1-3H3/b27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB43318	TG(15:0/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,32,34,40,43,55H,4-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b27-25-,28-26-,34-32-,43-40-
HMDB46790	TG(22:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,37,41,47,50,68H,4-17,19-20,22-24,26,29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b21-18-,28-25-,30-27-,41-37-,50-47-
HMDB46791	TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,34,36-37,42,45,63H,4-16,18-19,22-23,25,27-28,31-33,35,38-41,43-44,46-62H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,37-30-,45-42-
HMDB43315	TG(15:0/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,30,36,39,51H,4-19,21-22,24,27,29,31-35,37-38,40-50H2,1-3H3/b23-20-,26-25-,30-28-,39-36-
HMDB13871	5-Hydroxythalidomide	OC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1	InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)
HMDB43317	TG(15:0/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,38,41,53H,4-24,28,31,33-37,39-40,42-52H2,1-3H3/b27-25-,29-26-,32-30-,41-38-
HMDB43316	TG(15:0/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,32,38,41,53H,4-19,21-22,24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b23-20-,27-25-,32-30-,41-38-
HMDB43311	TG(15:0/20:3(5Z,8Z,11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,32,34,40,43,55H,4-25,27,29-31,33,35-39,41-42,44-54H2,1-3H3/b28-26-,34-32-,43-40-
HMDB43310	TG(15:0/20:3(5Z,8Z,11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,38,41,53H,4-24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b27-25-,32-30-,41-38-
HMDB43313	TG(15:0/20:3(5Z,8Z,11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,36,38,44,47,59H,4-25,27,29-35,37,39-43,45-46,48-58H2,1-3H3/b28-26-,38-36-,47-44-
HMDB13870	cis,trans-5'-Hydroxythalidomide	OC1CC(N2C(=O)C3=CC=CC=C3C2=O)C(=O)NC1=O	InChI=1S/C13H10N2O5/c16-9-5-8(10(17)14-11(9)18)15-12(19)6-3-1-2-4-7(6)13(15)20/h1-4,8-9,16H,5H2,(H,14,17,18)
HMDB09656	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,43H,3-4,9-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1
HMDB09657	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30,43H,3-4,9-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1
HMDB09654	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,43H,3-4,6,8-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1
HMDB09655	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27-28,30,43H,3-4,6,8-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1
HMDB09652	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,25,27,43H,3-4,6,8-10,12,15,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-/t43-/m1/s1
HMDB09653	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,43H,3-4,6,8-10,12,14-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1
HMDB09650	PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,41H,3-4,6,8-10,12,15,19,22-23,26-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-/t41-/m1/s1
HMDB09651	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,27-25-/t43-/m1/s1
HMDB53372	TG(20:2n6/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,30-31,36,38,57H,4-13,15,18,20,22,28-29,32-35,37,39-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,38-36-
HMDB13872	Arene oxide	O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC3OC3C=C12	InChI=1S/C13H10N2O5/c16-10-2-1-7(11(17)14-10)15-12(18)5-3-8-9(20-8)4-6(5)13(15)19/h3-4,7-9H,1-2H2,(H,14,16,17)
HMDB09658	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,29-27-/t45-/m1/s1
HMDB09659	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,45H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1
HMDB46882	TG(22:0/20:4(8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,42,45,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-41,43-44,46-65H2,1-3H3/b12-9-,21-18-,30-27-,45-42-
HMDB40569	Gingerdiols; [6]-Gingerdiol, 3'-Me ether, 3,5-di-Ac	CCCCCC(CC(CCC1=CC(OC)=C(OC)C=C1)OC(C)=O)OC(C)=O	InChI=1S/C22H34O6/c1-6-7-8-9-19(27-16(2)23)15-20(28-17(3)24)12-10-18-11-13-21(25-4)22(14-18)26-5/h11,13-14,19-20H,6-10,12,15H2,1-5H3
HMDB40568	[6]-Gingerdiol 3,5-diacetate	CCCCCC(CC(CCC1=CC(OC)=C(O)C=C1)OC(C)=O)OC(C)=O	InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3
HMDB46883	TG(22:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,33,35,56H,4-7,9-10,12-14,16,19,21-24,26,28-32,34,36-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-33-
HMDB40563	Perilloside C	CC(=C)C1CCC(COC2OC(CO)C(O)C(O)C2O)CC1	InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3
HMDB40562	Mauritianin	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3
HMDB40561	3,4',5,7-Tetrahydroxyflavanone; (2R,3R)-form, 4'-Me ether, 7-O-a-L-rhamnopyranoside	COC1=CC=C(C=C1)C1OC2=CC(OC3OC(C)C(O)C(O)C3O)=CC(O)=C2C(=O)C1O	InChI=1S/C22H24O10/c1-9-16(24)18(26)20(28)22(30-9)31-12-7-13(23)15-14(8-12)32-21(19(27)17(15)25)10-3-5-11(29-2)6-4-10/h3-9,16,18-24,26-28H,1-2H3
HMDB40560	4',5,7-Trihydroxy-3-methoxyflavanone	COC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1	InChI=1S/C16H14O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,15-19H,1H3
HMDB40567	[6]-Gingerdiol 5-acetate	CCCCCC(CC(O)CCC1=CC(OC)=C(O)C=C1)OC(C)=O	InChI=1S/C19H30O5/c1-4-5-6-7-17(24-14(2)20)13-16(21)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,16-17,21-22H,4-8,10,13H2,1-3H3
HMDB40566	[6]-Gingerdiol 3-acetate	CCCCCC(O)CC(CCC1=CC(OC)=C(O)C=C1)OC(C)=O	InChI=1S/C19H30O5/c1-4-5-6-7-16(21)13-17(24-14(2)20)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,16-17,21-22H,4-8,10,13H2,1-3H3
HMDB40565	Aloesol; 7-O-b-D-Glucopyranoside	CC(O)CC1=CC(=O)C2=C(C)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	InChI=1S/C19H24O9/c1-8-3-10(27-19-18(25)17(24)16(23)14(7-20)28-19)6-13-15(8)12(22)5-11(26-13)4-9(2)21/h3,5-6,9,14,16-21,23-25H,4,7H2,1-2H3
HMDB51860	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,39,45,48,60H,4-7,10,13-16,19,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB51861	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,39-40,43,45,48,60H,4-7,10,13-16,19,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB51862	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,47,50,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB46881	TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,30-27-,43-40-
HMDB51864	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,40-41,43-44,49,52,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB51865	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB51866	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,61H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB51867	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,66H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51868	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-24,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-
HMDB46886	TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,36,39,60H,4-7,9-10,12-16,18-19,21-25,28,30-33,35,37-38,40-59H2,1-3H3/b11-8-,20-17-,29-26-,34-27-,39-36-
HMDB46887	TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,41,62H,4-8,10-11,13-17,19-20,22-25,28,31-37,39-40,42-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-
HMDB47030	TG(24:0/15:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-
HMDB46884	TG(22:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-
HMDB47031	TG(24:0/15:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-
HMDB46885	TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,36,39,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-36-
HMDB47032	TG(24:0/15:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h20,23,57H,4-19,21-22,24-56H2,1-3H3/b23-20-
HMDB47033	TG(24:0/15:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h26,33,57H,4-25,27-32,34-56H2,1-3H3/b33-26-
HMDB53378	TG(20:2n6/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,30-31,36,38,57H,4-6,8-9,11-13,15,18,20,22,28-29,32-35,37,39-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,38-36-
HMDB47034	TG(24:0/15:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,59H,4-25,27,29-58H2,1-3H3/b28-26-
HMDB53379	TG(20:2n6/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,30-31,36,38,44,47,57H,4-6,8-9,11-13,15,18,20,22,28-29,32-35,37,39-43,45-46,48-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,38-36-,47-44-
HMDB46888	TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,36,38-39,41,45,48,62H,4-8,10-11,13-17,19-20,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB47035	TG(24:0/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,37,42,45,59H,4-25,27,29-34,36,38-41,43-44,46-58H2,1-3H3/b28-26-,37-35-,45-42-
HMDB46889	TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-
HMDB47036	TG(24:0/15:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,61H,4-25,27,29-60H2,1-3H3/b28-26-
HMDB35709	Ganoderenic acid B	CC(CC(=O)\C=C(\C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O	InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-
HMDB35708	8-Epiisoivangustin	CC1=CCC(O)C2(C)CC3OC(=O)C(=C)C3CC12	InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h4,10-13,16H,2,5-7H2,1,3H3
HMDB35707	(6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene	CC1CCC2C(C3=C1CC=C3C)C2(C)C	InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,9,12,14H,6-8H2,1-4H3
HMDB35706	alpha-Cyclocitral	CC1=CCCC(C)(C)C1C=O	InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3
HMDB35705	Zeaxanthin dipalmitate	CCCCCCCCCCCCCCCC(=O)OC1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1	InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+
HMDB35704	Acorenone	CC(C)C1CCC(C)C11CC=C(C)C(=O)C1	InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3
HMDB35703	p-Menth-1-ene-8-thiol	CC1=CCC(CC1)C(C)(C)S	InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
HMDB35702	3H-1,2-Dithiole-3-thione	S=C1SSC=C1	InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2H
HMDB35701	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione; (16a,20R,23E)-form, 2-O-b-D-Glucopyranoside	CC(C)(O)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C	InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+
HMDB35700	Lucidenic acid J	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	InChI=1S/C27H38O8/c1-13(6-7-19(32)33)14-10-18(31)27(5)20-15(29)11-16-24(2,9-8-17(30)25(16,3)12-28)21(20)22(34)23(35)26(14,27)4/h13-14,16-17,23,28,30,35H,6-12H2,1-5H3,(H,32,33)
HMDB47038	TG(24:0/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-28-26-23-20-17-14-11-8-5-2/h20,23,28,34,58H,4-19,21-22,24-27,29-33,35-57H2,1-3H3/b23-20-,34-28-
HMDB47039	TG(24:0/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,38,40,57H,4-16,18-19,21-25,27-32,34-37,39,41-56H2,1-3H3/b20-17-,33-26-,40-38-
HMDB44017	TG(16:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,43,49,52,62H,4-16,18-19,21-25,27,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b20-17-,28-26-,35-33-,43-40-,52-49-
HMDB44016	TG(16:0/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,43,62H,4-16,18-19,21-25,27,29-32,34,36-39,41-42,44-61H2,1-3H3/b20-17-,28-26-,35-33-,43-40-
HMDB44015	TG(16:0/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,62H,4-16,18-19,21-25,27,29-61H2,1-3H3/b20-17-,28-26-
HMDB31286	erythro-7,9-Octacosanediol	CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC	InChI=1S/C28H58O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-8-6-4-2/h27-30H,3-26H2,1-2H3
HMDB31287	2-Methyldodecane	CCCCCCCCCCC(C)C	InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3
HMDB31284	erythro-7,9-Hexatriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC	InChI=1S/C36H74O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-36(38)34-35(37)32-30-8-6-4-2/h35-38H,3-34H2,1-2H3
HMDB31285	erythro-7,9-Triacontanediol	CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC	InChI=1S/C30H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-8-6-4-2/h29-32H,3-28H2,1-2H3
HMDB31282	erythro-7,9-Dotriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC	InChI=1S/C32H66O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-32(34)30-31(33)28-26-8-6-4-2/h31-34H,3-30H2,1-2H3
HMDB31283	erythro-6,8-Hexatriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C36H74O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-36(38)34-35(37)32-30-6-4-2/h35-38H,3-34H2,1-2H3
HMDB31280	erythro-8,10-Nonacosanediol	CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC	InChI=1S/C29H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-29(31)27-28(30)25-23-21-8-6-4-2/h28-31H,3-27H2,1-2H3
HMDB31281	erythro-7,9-Tetratriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC	InChI=1S/C34H70O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-34(36)32-33(35)30-28-8-6-4-2/h33-36H,3-32H2,1-2H3
HMDB44013	TG(16:0/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,60H,4-16,18-19,21-25,27,29-34,36-37,39-59H2,1-3H3/b20-17-,28-26-,38-35-
HMDB31288	1,21-Heneicosanediol	OCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C21H44O2/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23/h22-23H,1-21H2
HMDB31289	1,4,6-Trihydroxy-5-methoxy-7-prenylxanthone	COC1=C(O)C(CC=C(C)C)=CC2=C1OC1=C(C(O)=CC=C1O)C2=O	InChI=1S/C19H18O6/c1-9(2)4-5-10-8-11-16(23)14-12(20)6-7-13(21)18(14)25-17(11)19(24-3)15(10)22/h4,6-8,20-22H,5H2,1-3H3
HMDB44011	TG(16:0/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,39,42,58H,4-16,18-19,21-25,27-32,34-38,40-41,43-57H2,1-3H3/b20-17-,33-26-,42-39-
HMDB44010	TG(16:0/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h20,23,28,34,59H,4-19,21-22,24-27,29-33,35-58H2,1-3H3/b23-20-,34-28-
HMDB33666	KB 2	CC(C)(O)CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=CC(O)=C(O)C=C1O	InChI=1S/C25H26O8/c1-24(2,31)7-5-13-21(30)20-18(29)11-19-12(6-8-25(3,4)33-19)23(20)32-22(13)14-9-16(27)17(28)10-15(14)26/h6,8-11,26-29,31H,5,7H2,1-4H3
HMDB33667	(R)-3-Methylcyclohexanone	CC1CCCC(=O)C1	InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
HMDB33664	N'-Hydroxysaxitoxin	ONC(=O)OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12	InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(18)16-21)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-21H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)
HMDB33665	N'-Hydroxyneosaxitoxin	ONC(=O)OCC1C2NC(=N)NC22N(CCC2(O)O)C(=N)N1O	InChI=1S/C10H17N7O6/c11-6-13-5-4(3-23-8(18)15-21)17(22)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-22H,1-3H2,(H,15,18)(H3,11,13,14)
HMDB33662	5'-Deoxy-5'-(methylsulfinyl)adenosine	CS(=O)CC1OC(C(O)C1O)N1C=NC2=C1N=CN=C2N	InChI=1S/C11H15N5O4S/c1-21(19)2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)
HMDB33663	Decarbamoylneosaxitoxin	OCC1C2NC(=N)NC22N(CCC2(O)O)C(=N)N1O	InChI=1S/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)
HMDB33660	(R)-Athanagrandione	CC(C)CC(=O)CC(C)(O)CCC(=O)C1=COC=C1	InChI=1S/C15H22O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7,10-11,18H,4,6,8-9H2,1-3H3
HMDB33661	4-Hydroxydehydromyoporone	CC(C)=CC(=O)CC(C)(O)CCC(=O)C1=COC=C1	InChI=1S/C15H20O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7-8,10,18H,4,6,9H2,1-3H3
HMDB41212	Kanzonol K	COC1=C(CC=C(C)C)C(O)=C2C(=O)C(=COC2=C1)C1=C(O)C(CC=C(C)C)=C(O)C=C1	InChI=1S/C26H28O6/c1-14(2)6-8-17-20(27)11-10-16(24(17)28)19-13-32-22-12-21(31-5)18(9-7-15(3)4)25(29)23(22)26(19)30/h6-7,10-13,27-29H,8-9H2,1-5H3
HMDB41213	Reticulacinone	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(=O)CCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3
HMDB41210	Justisolin; O-[b-D-Glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	[H]OC([H])([H])C1([H])OC([H])(OC2=C([H])C3=C(OC([H])([H])O3)C([H])=C2C2([H])OC([H])([H])C3([H])C([H])(OC([H])([H])C23[H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])C([H])(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C([H])(O[H])C1([H])O[H]	InChI=1S/C32H38O17/c33-6-21-23(35)25(37)27(39)31(47-21)49-30-26(38)24(36)22(7-34)48-32(30)46-17-5-20-19(44-11-45-20)4-13(17)29-15-9-40-28(14(15)8-41-29)12-1-2-16-18(3-12)43-10-42-16/h1-5,14-15,21-39H,6-11H2
HMDB41211	Justisolin; O-[b-D-Glucopyranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	[H]OC([H])([H])C1([H])OC([H])(OC([H])([H])C2([H])OC([H])(OC3=C([H])C4=C(OC([H])([H])O4)C([H])=C3C3([H])OC([H])([H])C4([H])C([H])(OC([H])([H])C34[H])C3=C([H])C4=C(OC([H])([H])O4)C([H])=C3[H])C([H])(OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])(O[H])C2([H])O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]	InChI=1S/C38H48O22/c39-6-22-25(41)28(44)31(47)36(57-22)51-10-24-27(43)30(46)35(60-37-32(48)29(45)26(42)23(7-40)58-37)38(59-24)56-18-5-21-20(54-12-55-21)4-14(18)34-16-9-49-33(15(16)8-50-34)13-1-2-17-19(3-13)53-11-52-17/h1-5,15-16,22-48H,6-12H2
HMDB41216	2,6-Dimethyl-7-octene-2,6-diol	CC(C)(O)CCCC(C)(O)C=C	InChI=1S/C10H20O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5,11-12H,1,6-8H2,2-4H3
HMDB41217	Shinflavanone	CC(C)=CCC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O1)C1=C(OC(C)(C)C=C1)C=C2	InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3
HMDB33668	Quercetin 4'-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O	InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1
HMDB33669	Phaseollidin	CC(C)=CCC1=C(O)C=CC2=C1OC1C2COC2=CC(O)=CC=C12	InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3
HMDB31138	Chinenoside IV	CC(COC1OC(CO)C(O)C(O)C1O)CC(CO)C1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(OC3OCC(O)C(O)C3O)C(O)C2O)O1	InChI=1S/C50H80O23/c1-19(15-65-46-41(63)37(59)36(58)31(14-52)71-46)9-21(13-51)43-20(2)33-30(70-43)12-25-23-11-27(53)26-10-22(5-7-49(26,3)24(23)6-8-50(25,33)4)69-48-42(64)38(60)44(73-47-40(62)35(57)29(55)17-67-47)32(72-48)18-68-45-39(61)34(56)28(54)16-66-45/h19,21-26,28-42,44-48,51-52,54-64H,5-18H2,1-4H3
HMDB31139	Chinenoside V	CC(COC1OC(CO)C(O)C(O)C1O)CC(CO)C1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)O1	InChI=1S/C45H72O19/c1-18(15-58-42-38(56)35(53)33(51)29(14-47)63-42)9-20(13-46)40-19(2)31-28(62-40)12-24-22-11-26(48)25-10-21(5-7-44(25,3)23(22)6-8-45(24,31)4)61-43-39(57)36(54)34(52)30(64-43)17-60-41-37(55)32(50)27(49)16-59-41/h18,20-25,27-39,41-43,46-47,49-57H,5-17H2,1-4H3
HMDB47119	TG(24:0/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,42,45,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,36-27-,45-42-
HMDB47118	TG(24:0/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-
HMDB31134	1,2-Di-O-(8-hexadecenoyl)-3-O-(6-sulfoquinovopyranosyl)glycerol	CCCCCCC\C=C\CCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCC\C=C\CCCCCCC	InChI=1S/C41H74O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,34-35,38-41,44-46H,3-14,19-33H2,1-2H3,(H,47,48,49)/b17-15+,18-16+
HMDB31135	Neoacrimarine G	COC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC(OC3C(O)C(C)(C)OC4=C3C3=C(C=CC(=O)O3)C=C4)=C1N2C	InChI=1S/C29H25NO8/c1-29(2)28(34)27(23-19(38-29)10-8-14-9-11-21(32)37-26(14)23)36-20-7-5-6-16-24(20)30(3)17-12-15(35-4)13-18(31)22(17)25(16)33/h5-13,27-28,31,34H,1-4H3
HMDB31136	Rollitacin	CCCCCC(O)C(O)CCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-13-18-29(38)30(39)20-16-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)19-15-12-10-8-6-5-7-9-11-14-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
HMDB31137	Annosquamosin A	CC(=O)OC[C@]1(O)CC23C[C@@H]1CCC2[C@]1(C)CCC[C@@](C)(C=O)C1CC3	InChI=1S/C22H34O4/c1-15(24)26-14-22(25)12-21-10-7-17-19(2,13-23)8-4-9-20(17,3)18(21)6-5-16(22)11-21/h13,16-18,25H,4-12,14H2,1-3H3/t16-,17?,18?,19-,20+,21?,22+/m0/s1
HMDB31130	9-Octadecenoic acid 1-[[(1-oxohexadecyl)oxy]methyl]-2-(phosphonoxy)ethyl ester	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP(O)(O)=O	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17+
HMDB31131	Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate 3-phosphate	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP(O)(O)=O	InChI=1S/C35H67O8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,33H,3-15,18-32H2,1-2H3,(H2,38,39,40)/b17-16+
HMDB31132	3,4-Dihydroxyphenylacetone	CC(=O)CC1=CC(O)=C(O)C=C1	InChI=1S/C9H10O3/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5,11-12H,4H2,1H3
HMDB31133	1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol	CCCCCCC\C=C\CCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC\C=C\CCCCCCC	InChI=1S/C41H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,34-35,38-42,45-47H,3-14,19-33H2,1-2H3/b17-15+,18-16+
HMDB44019	TG(16:0/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,39,42,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,33-26-,42-39-
HMDB44018	TG(16:0/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-57H2,1-3H3/b11-8-,20-17-,33-26-
HMDB42547	TG(14:0/18:3(6Z,9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h17,20,25,32,38,41,56H,4-16,18-19,21-24,26-31,33-37,39-40,42-55H2,1-3H3/b20-17-,32-25-,41-38-
HMDB42546	TG(14:0/18:3(6Z,9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,36,39,54H,4-16,18-19,21-24,26-29,31-35,37-38,40-53H2,1-3H3/b20-17-,30-25-,39-36-
HMDB42545	TG(14:0/18:3(6Z,9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,34,37,52H,4-16,18-19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b20-17-,28-25-,37-34-
HMDB42544	TG(14:0/18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,50H,4-16,18-19,21-24,26,28-31,33-34,36-49H2,1-3H3/b20-17-,27-25-,35-32-
HMDB42543	TG(14:0/18:3(6Z,9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,30,33,48H,4-15,17-18,20-23,26-29,31-32,34-47H2,1-3H3/b19-16-,25-24-,33-30-
HMDB42542	TG(14:0/18:3(6Z,9Z,12Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,29,32,47H,4-15,17-18,20-23,26-28,30-31,33-46H2,1-3H3/b19-16-,25-24-,32-29-
HMDB42541	TG(14:0/18:3(6Z,9Z,12Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h16,19,23-24,28,31,46H,4-15,17-18,20-22,25-27,29-30,32-45H2,1-3H3/b19-16-,24-23-,31-28-
HMDB42540	TG(14:0/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(56)59-52(51-58-53(55)47-44-41-38-35-32-21-18-15-12-9-6-3)50-57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h19,22,26,28,52H,4-18,20-21,23-25,27,29-51H2,1-3H3/b22-19-,28-26-
HMDB42549	TG(14:0/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,30,33,48H,4-15,17-18,21-22,26-29,31-32,34-47H2,1-3H3/b19-16-,23-20-,25-24-,33-30-
HMDB42548	TG(14:0/18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14,16-17,19,23-24,28,31,46H,4-13,15,18,20-22,25-27,29-30,32-45H2,1-3H3/b17-14-,19-16-,24-23-,31-28-
HMDB47117	TG(24:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,52,55,66H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,29-26-,38-35-,46-43-,55-52-
HMDB42899	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB42898	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB42895	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,35-36,38,54H,4-6,9,12-15,18,21-23,27,31-32,34,37,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-
HMDB42894	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,36,54H,4-6,9,12-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-
HMDB42897	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38,40,43,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB42896	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB42891	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,33,37,40,58H,4-7,9-10,12-15,18,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-
HMDB42890	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,40,43,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB42893	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-7,9-10,12-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB42892	TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-7,9-10,12-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB13523	PGP(18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,39-40,43H,3-11,16-17,19,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,15-13-,20-18-,26-24-/t39-,40+/m0/s1
HMDB13522	PGP(18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39-40,43H,3-11,16-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,15-13-,20-18-/t39-,40+/m0/s1
HMDB32539	Triethylamine	CCN(CC)CC	InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
HMDB32538	Triethanolamine	OCCN(CCO)CCO	InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
HMDB39709	Guttiferone A	CC(C)=CCCC1(C)C(CC=C(C)C)CC2(CC=C(C)C)C(O)=C(C(=O)C3=CC(O)=C(O)C=C3)C(=O)C1(CC=C(C)C)C2=O	InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,39-40,42H,10,14,18-20,22H2,1-9H3
HMDB39708	3-beta-Cellobiosylglucose	OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)OC(CO)C3O)OC2CO)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)32-18(12(27)10(14)25)34-15-8(23)5(2-20)30-16(29)13(15)28/h4-29H,1-3H2
HMDB32531	2-trans-6-cis-Dodecadienal	CCCCC\C=C/CC\C=C\C=O	InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+
HMDB39702	Oryzalexin E	[H][C@]12CCC3=C[C@@](C)(CC[C@@]3(O)[C@]1(C)CC[C@@H](O)C2(C)C)C=C	InChI=1S/C20H32O2/c1-6-18(4)11-12-20(22)14(13-18)7-8-15-17(2,3)16(21)9-10-19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m1/s1
HMDB39701	Ginsenoside Rg6	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(=C)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11,22-38,43-50H,3,10,12-19H2,1-2,4-9H3
HMDB32532	2-DECENOL	CCCCCCCC=CCO	InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-7,10H2,1H3/b9-8+
HMDB32535	trans-4-Nonenal	CCCC\C=C\CCC=O	InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+
HMDB32534	trans-2-Hexenyl 2-methylbutyrate	CCC\C=C\COC(=O)C(C)CC	InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
HMDB32537	trans-2-trans-4-Nonadiene	CCCCC=CC=CCCCC	InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+
HMDB32536	2-(trans-2-Pentenyl)cyclopentanone	CC\C=C\CC1CCCC1=O	InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h3-4,9H,2,5-8H2,1H3/b4-3+
HMDB38078	1,1-Diethoxy-2,6-nonadiene	CCOC(OCC)\C=C/CC\C=C/CC	InChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3/b8-7-,12-11-
HMDB38079	2,6-Nonadien-1-ol, 9CI; (2E,6Z)-form, Ac	CC\C=C/CC\C=C/COC(C)=O	InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3/b5-4-,9-8-
HMDB38072	xi-5-Acetyltetrahydro-2(3H)-furanone	CC(=O)C1CCC(=O)O1	InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3
HMDB38073	Octadecyl fumarate	CCCCCCCCCCCCCCCCCCOC(=O)\C=C/C(O)=O	InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h18-19H,2-17,20H2,1H3,(H,23,24)/b19-18-
HMDB38070	xi-16-Methyloctadecanoic acid	CCC(C)CCCCCCCCCCCCCCC(O)=O	InChI=1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
HMDB59288	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-39,42-43,45-47,50-52,54-56,62-63,66-67,85-87,92H,5-9,11-13,15-20,24,28-32,40-41,44,48-49,53,57-61,64-65,68-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,54-50-,55-51-,56-52-,66-62-,67-63-/t85?,86-,87-/m1/s1
HMDB59289	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-39,43-49,53-54,56-58,60,65,68-69,72,87-89,94H,5-9,11-13,15-20,24,28-32,40-42,50-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB30669	3-O-Feruloylquinic acid	COC1=C(O)C=C(\C=C/C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)C=C1	InChI=1S/C17H20O9/c1-25-12-4-2-9(6-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3-
HMDB30668	1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione	COC1=CC(OC)=C(C(=O)CC(C)=O)C(OC)=C1	InChI=1S/C13H16O5/c1-8(14)5-10(15)13-11(17-3)6-9(16-2)7-12(13)18-4/h6-7H,5H2,1-4H3
HMDB30667	Chrysoeriol	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
HMDB30666	Chalepin acetate	CC(=O)OC(C)(C)C1CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C	InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3
HMDB30665	3,5-Digalloylepicatechin	OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1	InChI=1S/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-4-18(33)25(37)19(34)5-12)10-24(27(41-22)11-1-2-16(31)17(32)3-11)43-29(40)13-6-20(35)26(38)21(36)7-13/h1-9,24,27,30-38H,10H2
HMDB30664	3,3'-Dihydroxy-4',5,7-trimethoxyflavan	COC1=CC2=C(CC(O)C(O2)C2=CC(O)=C(OC)C=C2)C(OC)=C1	InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3
HMDB30663	4',7-Di-O-methylcatechin	COC1=CC2=C(CC(O)C(O2)C2=CC(O)=C(OC)C=C2)C(O)=C1	InChI=1S/C17H18O6/c1-21-10-6-12(18)11-8-14(20)17(23-16(11)7-10)9-3-4-15(22-2)13(19)5-9/h3-7,14,17-20H,8H2,1-2H3
HMDB30662	4'-O-Methylcatechin	COC1=C(O)C=C(C=C1)C1OC2=C(CC1O)C(O)=CC(O)=C2	InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3
HMDB30661	3-Galloylcatechin	[H]OC1=C([H])C2=C(C(O[H])=C1[H])C([H])([H])C([H])(OC(=O)C1=C([H])C(O[H])=C(O[H])C(O[H])=C1[H])C([H])(O2)C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2
HMDB30660	Casticin	COC1=CC=C(C=C1O)C1=C(OC)C(=O)C2=C(O1)C=C(OC)C(OC)=C2O	InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
HMDB46593	TG(22:0/22:1(13Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,63H,4-14,16-17,19-23,25,28,30-62H2,1-3H3/b18-15-,27-24-,29-26-
HMDB48168	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,35,37,43,46,58H,4-14,16,19,21-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,37-35-,46-43-
HMDB08686	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,37-35-,43-40-
HMDB08687	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,29,31,35,37,40,43,47H,6-13,15,18,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,31-29-,37-35-,43-40-
HMDB08684	PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,40,42,52H,6-14,16,18-19,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b17-15-,22-20-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1
HMDB08685	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,33,35,38,41,45H,6-13,15,17-19,21,23,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,35-33-,41-38-
HMDB08682	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,38-41,50H,6-8,10,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1
HMDB08683	PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,34,36,40,42,52H,6-14,16,18-20,22,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b17-15-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1
HMDB08680	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,38-41,50H,6-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1
HMDB08681	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,38,40,50H,6-8,10,12-13,18-19,24-25,30-31,36-37,39,41-49H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-/t50-/m1/s1
HMDB46597	TG(22:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,43,46,66H,4-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,46-43-
HMDB08688	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-
HMDB08689	PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,42H,6-7,9,11-13,15,17-18,21,24,26,28-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
HMDB47019	TG(24:0/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,60H,4-16,18-19,21-24,26,28-59H2,1-3H3/b20-17-,27-25-
HMDB08538	PC(22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h21,23,48H,6-20,22,24-47H2,1-5H3/b23-21-/t48-/m1/s1
HMDB08539	PC(22:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,48H,6-14,16,18-20,22,24-47H2,1-5H3/b17-15-,23-21-/t48-/m1/s1
HMDB08534	PC(22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h15,17,21,26,31,33,46H,6-14,16,18-20,22-25,27-30,32,34-45H2,1-5H3/b17-15-,26-21-,33-31-/t46-/m1/s1
HMDB08535	PC(22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,46H,6-8,10,12-14,16,18-20,22-25,27-45H2,1-5H3/b11-9-,17-15-,26-21-/t46-/m1/s1
HMDB08536	PC(22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,31,33,46H,6-8,10,12-14,16,18-20,22-25,27-30,32,34-45H2,1-5H3/b11-9-,17-15-,26-21-,33-31-/t46-/m1/s1
HMDB08537	PC(22:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1
HMDB08530	PC(22:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1
HMDB08531	PC(22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h17,19,46H,6-16,18,20-45H2,1-5H3/b19-17-/t46-/m1/s1
HMDB08532	PC(22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h21,26,46H,6-20,22-25,27-45H2,1-5H3/b26-21-/t46-/m1/s1
HMDB08533	PC(22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h15,17,21,26,46H,6-14,16,18-20,22-25,27-45H2,1-5H3/b17-15-,26-21-/t46-/m1/s1
HMDB48165	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,31,33,39,42,54H,4-14,16,19,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,33-31-,42-39-
HMDB36540	Heliantriol A1	CC1(C)CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)=C2C1	InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h21-24,31-33H,8-18H2,1-7H3
HMDB36543	Palygorskite	[H].O.[Mg].[SiH4]	InChI=1S/Mg.H2O.H4Si.H/h;1H2;1H4;
HMDB36544	1'-Acetoxyeugenol acetate	COC1=C(OC(C)=O)C=CC(=C1)C(OC(C)=O)C=C	InChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3
HMDB36545	Tin(II) chloride (SnCl2)	[Cl-].[Cl-].[Sn++]	InChI=1S/2ClH.Sn/h2*1H;/q;;+2/p-2
HMDB36546	Tin chloride (SnCl4)	[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]	InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4
HMDB36547	9-Hydroxyasimicinone	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCC(O)CCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-12-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-13-10-11-16-29(39)17-14-15-18-30-26-28(25-27(2)38)37(42)43-30/h28-36,39-41H,3-26H2,1-2H3
HMDB36548	Hericenone B	COC1=CC2=C(C(=O)N(CCC3=CC=CC=C3)C2)C(O)=C1C\C=C(\C)CC(=O)C=C(C)C	InChI=1S/C27H31NO4/c1-18(2)14-22(29)15-19(3)10-11-23-24(32-4)16-21-17-28(27(31)25(21)26(23)30)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10-
HMDB36549	Apotrichothecene	CC1=CC2OC3(CO)CCCC3(C)C2(C)CC1	InChI=1S/C15H24O2/c1-11-5-8-13(2)12(9-11)17-15(10-16)7-4-6-14(13,15)3/h9,12,16H,4-8,10H2,1-3H3
HMDB58625	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-8,10-12,14-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58624	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB13617	Lipoyl-GMP	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC(=O)CCCCC1CCSS1)NC2=O	InChI=1S/C18H26N5O9PS2/c24-11(4-2-1-3-9-5-6-34-35-9)20-18-21-15-12(16(27)22-18)19-8-23(15)17-14(26)13(25)10(32-17)7-31-33(28,29)30/h8-10,13-14,17,25-26H,1-7H2,(H2,28,29,30)(H2,20,21,22,24,27)/t9?,10-,13-,14-,17-/m1/s1
HMDB58626	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,54-56,58-60,66-67,70-71,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB58621	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,54-56,58-60,67,71,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-53,57,61-66,68-70,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,71-67-/t87?,88-,89-/m1/s1
HMDB58620	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,43-49,54-56,58-60,67-68,71-72,87-89,94H,5-8,10-12,14-20,24,28-32,40-42,50-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58623	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58622	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,54-56,58-60,67-68,71-72,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58629	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,51-52,55-56,63,67,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-50,53-54,57-62,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-,67-63-/t83?,84-,85-/m1/s1
HMDB58628	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-/t84-,85-/m1/s1
HMDB47012	TG(24:0/14:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-
HMDB47013	TG(24:0/14:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,62H,4-23,25,27-61H2,1-3H3/b26-24-
HMDB15518	Metrizamide	CN(C(C)=O)C1=C(I)C(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C(I)C(NC(C)=O)=C1I	InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1
HMDB15519	Phendimetrazine	CC1C(OCCN1C)C1=CC=CC=C1	InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
HMDB15516	Dextroamphetamine	C[C@H](N)CC1=CC=CC=C1	InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
HMDB15517	Methamphetamine	CN[C@@H](C)CC1=CC=CC=C1	InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
HMDB15510	Flunitrazepam	CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F	InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
HMDB15511	Bromazepam	BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1	InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
HMDB15512	Clotiazepam	CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl	InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
HMDB15513	Fludiazepam	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F	InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
HMDB12054	Ganglioside GT3 (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H140N4O37/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(92)46(83-56(97)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-111-72-65(103)64(102)67(55(41-88)113-72)114-73-66(104)71(61(99)52(38-85)112-73)120-79(76(109)110)36-50(95)59(82-45(5)91)70(119-79)63(101)54(40-87)116-78(75(107)108)35-49(94)58(81-44(4)90)69(118-78)62(100)53(39-86)115-77(74(105)106)34-48(93)57(80-43(3)89)68(117-77)60(98)51(96)37-84/h46-55,57-73,84-88,92-96,98-104H,6-42H2,1-5H3,(H,80,89)(H,81,90)(H,82,91)(H,83,97)(H,105,106)(H,107,108)(H,109,110)/t46-,47+,48-,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68?,69?,70?,71-,72+,73-,77+,78+,79-/m0/s1
HMDB12055	Ganglioside GT3 (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C81H144N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h48-57,59-75,86-90,94-98,100-106H,6-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1
HMDB12056	Ganglioside GT3 (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H142N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h16,18,48-57,59-75,86-90,94-98,100-106H,6-15,17,19-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b18-16-/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1
HMDB12057	Ganglioside GT3 (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H142N4O37/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(99)85-48(49(94)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-113-74-67(105)66(104)69(57(43-90)115-74)116-75-68(106)73(63(101)54(40-87)114-75)122-81(78(111)112)38-52(97)61(84-47(5)93)72(121-81)65(103)56(42-89)118-80(77(109)110)37-51(96)60(83-46(4)92)71(120-80)64(102)55(41-88)117-79(76(107)108)36-50(95)59(82-45(3)91)70(119-79)62(100)53(98)39-86/h20-21,48-57,59-75,86-90,94-98,100-106H,6-19,22-44H2,1-5H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,107,108)(H,109,110)(H,111,112)/b21-20-/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70?,71?,72?,73-,74+,75-,79+,80+,81-/m0/s1
HMDB12050	Ganglioside GT2 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C98H172N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(118)102-61(62(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-133-91-82(125)81(124)84(70(53-107)135-91)137-92-83(126)89(85(71(54-108)136-92)138-90-60(45-56(3)109)76(119)78(121)67(50-104)134-90)144-98(95(131)132)48-65(116)75(101-59(6)112)88(143-98)80(123)69(52-106)140-97(94(129)130)47-64(115)74(100-58(5)111)87(142-97)79(122)68(51-105)139-96(93(127)128)46-63(114)73(99-57(4)110)86(141-96)77(120)66(117)49-103/h41,43,60-71,73-92,103-108,113-117,119-126H,7-40,42,44-55H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,118)(H,127,128)(H,129,130)(H,131,132)/b43-41+/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89-,90+,91-,92+,96-,97-,98+/m1/s1
HMDB12051	Ganglioside GT2 (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C98H170N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(118)102-61(62(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-133-91-82(125)81(124)84(70(53-107)135-91)137-92-83(126)89(85(71(54-108)136-92)138-90-60(45-56(3)109)76(119)78(121)67(50-104)134-90)144-98(95(131)132)48-65(116)75(101-59(6)112)88(143-98)80(123)69(52-106)140-97(94(129)130)47-64(115)74(100-58(5)111)87(142-97)79(122)68(51-105)139-96(93(127)128)46-63(114)73(99-57(4)110)86(141-96)77(120)66(117)49-103/h21-22,41,43,60-71,73-92,103-108,113-117,119-126H,7-20,23-40,42,44-55H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,118)(H,127,128)(H,129,130)(H,131,132)/b22-21-,43-41+/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89-,90+,91-,92+,96-,97-,98+/m1/s1
HMDB12052	Ganglioside GT3 (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C75H132N4O37/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-43(88)42(79-52(93)29-27-25-23-20-15-13-11-9-7-2)38-107-68-61(99)60(98)63(51(37-84)109-68)110-69-62(100)67(57(95)48(34-81)108-69)116-75(72(105)106)32-46(91)55(78-41(5)87)66(115-75)59(97)50(36-83)112-74(71(103)104)31-45(90)54(77-40(4)86)65(114-74)58(96)49(35-82)111-73(70(101)102)30-44(89)53(76-39(3)85)64(113-73)56(94)47(92)33-80/h42-51,53-69,80-84,88-92,94-100H,6-38H2,1-5H3,(H,76,85)(H,77,86)(H,78,87)(H,79,93)(H,101,102)(H,103,104)(H,105,106)/t42-,43+,44-,45-,46-,47+,48+,49+,50+,51+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64?,65?,66?,67-,68+,69-,73+,74+,75-/m0/s1
HMDB12053	Ganglioside GT3 (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C77H136N4O37/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-45(90)44(81-54(95)31-29-27-25-23-20-17-15-13-11-9-7-2)40-109-70-63(101)62(100)65(53(39-86)111-70)112-71-64(102)69(59(97)50(36-83)110-71)118-77(74(107)108)34-48(93)57(80-43(5)89)68(117-77)61(99)52(38-85)114-76(73(105)106)33-47(92)56(79-42(4)88)67(116-76)60(98)51(37-84)113-75(72(103)104)32-46(91)55(78-41(3)87)66(115-75)58(96)49(94)35-82/h44-53,55-71,82-86,90-94,96-102H,6-40H2,1-5H3,(H,78,87)(H,79,88)(H,80,89)(H,81,95)(H,103,104)(H,105,106)(H,107,108)/t44-,45+,46-,47-,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66?,67?,68?,69-,70+,71-,75+,76+,77-/m0/s1
HMDB12058	Ganglioside GT3 (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C83H148N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(101)87-50(51(96)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-115-76-69(107)68(106)71(59(45-92)117-76)118-77-70(108)75(65(103)56(42-89)116-77)124-83(80(113)114)40-54(99)63(86-49(5)95)74(123-83)67(105)58(44-91)120-82(79(111)112)39-53(98)62(85-48(4)94)73(122-82)66(104)57(43-90)119-81(78(109)110)38-52(97)61(84-47(3)93)72(121-81)64(102)55(100)41-88/h50-59,61-77,88-92,96-100,102-108H,6-46H2,1-5H3,(H,84,93)(H,85,94)(H,86,95)(H,87,101)(H,109,110)(H,111,112)(H,113,114)/t50-,51+,52-,53-,54-,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72?,73?,74?,75-,76+,77-,81+,82+,83-/m0/s1
HMDB12059	Ganglioside GT3 (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C85H152N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(103)89-52(53(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-117-78-71(109)70(108)73(61(47-94)119-78)120-79-72(110)77(67(105)58(44-91)118-79)126-85(82(115)116)42-56(101)65(88-51(5)97)76(125-85)69(107)60(46-93)122-84(81(113)114)41-55(100)64(87-50(4)96)75(124-84)68(106)59(45-92)121-83(80(111)112)40-54(99)63(86-49(3)95)74(123-83)66(104)57(102)43-90/h52-61,63-79,90-94,98-102,104-110H,6-48H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74?,75?,76?,77-,78+,79-,83+,84+,85-/m0/s1
HMDB29416	L-Targinine	CNC(=N)NCCC[C@H](N)C(O)=O	InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
HMDB29417	Cycloalliin	CC1CS(=O)CC(N1)C(O)=O	InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
HMDB29414	(S)-alpha-Amino-4-carboxy-3-furanpropanoic acid	NC(CC1=COC=C1C(O)=O)C(O)=O	InChI=1S/C8H9NO5/c9-6(8(12)13)1-4-2-14-3-5(4)7(10)11/h2-3,6H,1,9H2,(H,10,11)(H,12,13)
HMDB29415	S-Carboxymethyl-L-cysteine	NC(CSCC(O)=O)C(O)=O	InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
HMDB29412	Betonicine	C[N+]1(C)C[C@H](O)C[C@H]1C([O-])=O	InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
HMDB29413	Bis-gamma-glutamylcysteinylbis-beta-alanine	NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)C(=O)NCCC(O)=O)C(O)=O	InChI=1S/C22H36N6O12S2/c23-11(21(37)38)1-3-15(29)27-13(19(35)25-7-5-17(31)32)9-41-42-10-14(20(36)26-8-6-18(33)34)28-16(30)4-2-12(24)22(39)40/h11-14H,1-10,23-24H2,(H,25,35)(H,26,36)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,37,38)(H,39,40)
HMDB29410	2-Acetyl-3-ethylpyrazine	CCC1=NC=CN=C1C(C)=O	InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
HMDB29411	Prebetanin	OC1C(O)C(COS(O)(=O)=O)OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C1O	InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)
HMDB53138	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,33,39,42,59H,4-15,17,20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b19-16-,21-18-,28-25-,33-27-,42-39-
HMDB53139	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-33,37-42,58H,4-15,22-24,29,34-36,43-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-
HMDB29418	S-Cysteinosuccinic acid	NC(CSC(CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)
HMDB29419	Glycylglycylglycine	NCC(=O)NCC(=O)NCC(O)=O	InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
HMDB47016	TG(24:0/14:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,57H,4-13,15-16,18-22,24,26-56H2,1-3H3/b17-14-,25-23-
HMDB37398	4-Acetoxy-2-hexyltetrahydrofuran	CCCCCCC1CC(CO1)OC(C)=O	InChI=1S/C12H22O3/c1-3-4-5-6-7-11-8-12(9-14-11)15-10(2)13/h11-12H,3-9H2,1-2H3
HMDB37399	(-)-Epicatechin 6-C-glucoside	OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2O[C@@H]([C@H](O)CC2=C1O)C1=CC(O)=C(O)C=C1	InChI=1S/C21H24O11/c22-6-14-17(28)18(29)19(30)21(32-14)15-11(25)5-13-8(16(15)27)4-12(26)20(31-13)7-1-2-9(23)10(24)3-7/h1-3,5,12,14,17-30H,4,6H2/t12-,14-,17-,18+,19-,20-,21?/m1/s1
HMDB37392	4(15)-Copaen-11-ol	CC(C)(O)C1CCC2(C)C3CCC(=C)C2C13	InChI=1S/C15H24O/c1-9-5-6-11-12-10(14(2,3)16)7-8-15(11,4)13(9)12/h10-13,16H,1,5-8H2,2-4H3
HMDB37393	(3xi,7(11)Z)-7(11)-Copaene-4,12-diol	C\C(CO)=C1\CCC2(C)C3CCC(C)(O)C2C13	InChI=1S/C15H24O2/c1-9(8-16)10-4-6-14(2)11-5-7-15(3,17)13(14)12(10)11/h11-13,16-17H,4-8H2,1-3H3/b10-9+
HMDB37390	Tsibulin 1	CCCCCCCCC1CC(=O)CC1=O	InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-9-12(14)10-13(11)15/h11H,2-10H2,1H3
HMDB37391	p-Hydroxynonanophenone	CCCCCCCCC(=O)C1=CC=C(O)C=C1	InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3
HMDB37396	xi-10-Hydroxyoctadecanoic acid	CCCCCCCCC(O)CCCCCCCCC(O)=O	InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
HMDB37397	xi-17-Methyloctadecanoic acid	CC(C)CCCCCCCCCCCCCCCC(O)=O	InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
HMDB37394	3xi-4-Copanol	CC(C)C1CCC2(C)C3CCC(C)(O)C2C13	InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(14)12(10)11/h9-13,16H,5-8H2,1-4H3
HMDB37395	11-Copaen-4-ol	CC(=C)C1CCC2(C)C3CCC(C)(O)C2C13	InChI=1S/C15H24O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(14)12(10)11/h10-13,16H,1,5-8H2,2-4H3
HMDB47017	TG(24:0/14:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,34,36,58H,4-16,18-19,21-24,26,28-33,35,37-57H2,1-3H3/b20-17-,27-25-,36-34-
HMDB59413	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-56,58,64,66,68,70,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB47014	TG(24:0/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-27-25-23-20-17-14-11-8-5-2/h20,23,27,33,57H,4-19,21-22,24-26,28-32,34-56H2,1-3H3/b23-20-,33-27-
HMDB14649	Nitazoxanide	CC(=O)OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O	InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)
HMDB14648	Tridihexethyl	CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1	InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1
HMDB14647	Levallorphan	[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2	InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
HMDB14646	Ritonavir	CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1	InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
HMDB14645	Haloperidol	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1	InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
HMDB14644	Cimetidine	C\N=C(\NCCSCC1=C(C)NC=N1)NC#N	InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
HMDB14643	Tolmetin	CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1	InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
HMDB14642	Flutamide	CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F	InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
HMDB14641	Phenindione	O=C1C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1	InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
HMDB14640	Oxycodone	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O	InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
HMDB52429	TG(18:2(9Z,12Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,34,55H,4-15,17-18,21-22,24,26,29,32-33,35-54H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,34-31-
HMDB47015	TG(24:0/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,25,32,37,39,56H,4-16,18-19,21-24,26-31,33-36,38,40-55H2,1-3H3/b20-17-,32-25-,39-37-
HMDB00688	Isovalerylcarnitine	CC(C)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
HMDB00689	Isocaproic acid	CC(C)CCC(O)=O	InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
HMDB00686	Isoursodeoxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1
HMDB00687	L-Leucine	CC(C)C[C@H](N)C(O)=O	InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
HMDB00684	L-Kynurenine	N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O	InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
HMDB00682	Indoxyl sulfate	OS(=O)(=O)OC1=CNC2=CC=CC=C12	InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
HMDB00683	Harderoporphyrin	CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C(C)=C3CCC(O)=O)=C1CCC(O)=O	InChI=1S/C35H36N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,13-16,36,39H,1,7-12H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
HMDB06213	(S)-Propane-1,2-diol	C[C@H](O)CO	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
HMDB11506	LysoPE(18:1(9Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1
HMDB06211	2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)O[C@H]1NC(=N)NC=O	InChI=1S/C6H12N3O8P/c7-6(8-1-10)9-4-2(11)3(12)5(16-4)17-18(13,14)15/h1-5,11-12H,(H2,13,14,15)(H3,7,8,9,10)/t2-,3+,4-,5-/m1/s1
HMDB06210	Heptadecanoyl carnitine	CCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h22H,5-21H2,1-4H3
HMDB06217	9-cis-Retinol	C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
HMDB06216	11-cis-Retinol	C\C(=C/CO)\C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+
HMDB06215	Naphthalene epoxide	O1C2C=CC3=CC=CC=C3C12	InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H
HMDB11500	LysoPE(14:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COP(O)(=O)OCCN	InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)/t18-/m1/s1
HMDB06219	13-cis-Retinoic acid	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-
HMDB06218	9-cis-Retinal	C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
HMDB39446	Ginsenoside Rh7	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C21C	InChI=1S/C36H60O9/c1-19(2)10-9-13-35(7,45-31-30(43)29(42)28(41)22(18-37)44-31)20-11-15-34(6)27(20)21(38)16-24-33(5)14-12-25(39)32(3,4)23(33)17-26(40)36(24,34)8/h10,17,20-22,24-31,37-43H,9,11-16,18H2,1-8H3
HMDB11509	LysoPE(18:3(9Z,12Z,15Z)/0:0)	[H][C@@](O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN	InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1
HMDB11508	LysoPE(18:3(6Z,9Z,12Z)/0:0)	[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN	InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,12-13,22,25H,2-5,8,11,14-21,24H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-/t22-/m1/s1
HMDB52667	TG(18:2(9Z,12Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-33,36-37,40,57H,4-15,17,22,24,26,30,34-35,38-39,41-56H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-
HMDB52666	TG(18:2(9Z,12Z)/20:3n6/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28-30,32-34,37,58H,4-15,17-18,22,26-27,31,35-36,38-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-29-,33-30-,37-34-
HMDB52665	TG(18:2(9Z,12Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,19,22-23,26,28,31,57H,4-13,15-16,18,20-21,24-25,27,29-30,32-56H2,1-3H3/b17-14-,22-19-,26-23-,31-28-
HMDB39447	2-Methyl-4-oxopentanedioic acid	CC(CC(=O)C(O)=O)C(O)=O	InChI=1S/C6H8O5/c1-3(5(8)9)2-4(7)6(10)11/h3H,2H2,1H3,(H,8,9)(H,10,11)
HMDB52663	TG(18:2(9Z,12Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-29,32-34,38,41,60H,4-6,8-9,11-14,17,21-22,26,30-31,35-37,39-40,42-59H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,27-24-,28-25-,33-32-,34-29-,41-38-
HMDB49823	TG(18:1(9Z)/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36-37,40,46,49,62H,4-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b29-26-,36-27-,40-37-,49-46-
HMDB52661	TG(18:2(9Z,12Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-29,32,34,36,58H,4-6,8-9,11-14,17,21-22,26,30-31,33,35,37-57H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,27-24-,28-25-,32-29-,36-34-
HMDB52660	TG(18:2(9Z,12Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-19,21-23,26-28,30-31,36,39,56H,4-8,10-11,13,15-16,20,24-25,29,32-35,37-38,40-55H2,1-3H3/b12-9-,17-14-,21-18-,22-19-,26-23-,30-27-,31-28-,39-36-
HMDB39440	(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8,24(28)-dien-3-ol	C\C=C(\CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3)C(C)C	InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,19-21,24-26,28,31H,9-18H2,1-7H3/b22-8-
HMDB49822	TG(18:1(9Z)/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,62H,4-25,28,30-35,37-61H2,1-3H3/b29-26-,36-27-
HMDB52669	TG(18:2(9Z,12Z)/20:3n6/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-35,37-38,59H,4-15,18,22-23,27,31-32,36,39-58H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-
HMDB39441	ent-1(10)-Halimene-15,19-dioic acid	CC(CCC1(C)C(C)CCC2C1=CCCC2(C)C(O)=O)CC(O)=O	InChI=1S/C20H32O4/c1-13(12-17(21)22)9-11-19(3)14(2)7-8-16-15(19)6-5-10-20(16,4)18(23)24/h6,13-14,16H,5,7-12H2,1-4H3,(H,21,22)(H,23,24)
HMDB39442	ent-15,16-Epoxy-1(10),13(16),14-halimatrien-19-oic acid	CC1CCC2C(=CCCC2(C)C(O)=O)C1(C)CCC1=COC=C1	InChI=1S/C20H28O3/c1-14-6-7-17-16(5-4-10-20(17,3)18(21)22)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)
HMDB39443	(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one	CC(C(O)C(O)C(=C)C(C)(C)C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C29H48O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15,17-21,23-26,31-34H,2,8-14H2,1,3-7H3
HMDB52425	TG(18:2(9Z,12Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-24-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,53H,4-18,20-21,23-26,28,30-52H2,1-3H3/b22-19-,29-27-
HMDB52424	TG(18:2(9Z,12Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,35,38,43,46,56H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,38-35-,46-43-
HMDB48605	TG(16:1(9Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-26,31,34,50H,4-6,8-9,11-15,17-18,22,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,34-31-
HMDB07162	DG(18:0/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,37,40H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3/b14-12-,20-18-,26-24-/t37-/m0/s1
HMDB07163	DG(18:0/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,37,40H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3/b8-6-,14-12-,20-18-/t37-/m0/s1
HMDB07160	DG(18:0/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40H,3-17,19,21-36H2,1-2H3/b20-18-/t37-/m0/s1
HMDB07161	DG(18:0/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40H,3-11,13,15-17,19,21-36H2,1-2H3/b14-12-,20-18-/t37-/m0/s1
HMDB07166	DG(18:0/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,39,42H,3-16,18,20-38H2,1-2H3/b19-17-/t39-/m0/s1
HMDB07167	DG(18:0/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-/m0/s1
HMDB07164	DG(18:0/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,37,40H,3-5,7,9-11,13,15-17,19,21-23,25,27-36H2,1-2H3/b8-6-,14-12-,20-18-,26-24-/t37-/m0/s1
HMDB07165	DG(18:0/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1
HMDB54540	TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,45,48,61H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB54541	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,66H,4-15,22-24,31-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
HMDB07168	DG(18:0/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,39,42H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b19-17-,24-22-,30-28-/t39-/m0/s1
HMDB07169	DG(18:0/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,39,42H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3/b13-11-,19-17-,24-22-/t39-/m0/s1
HMDB54544	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,36,62H,4-8,10-11,13-15,22-24,30-35,37-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,36-27-
HMDB54545	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,36,42,45,62H,4-8,10-11,13-15,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB54546	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,38,41,64H,4-8,10-11,13-15,22-24,31-37,39-40,42-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB54547	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,38,41,47,50,64H,4-8,10-11,13-15,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB59342	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,67,69,71,73,88-90,95H,5-8,10-12,14-20,24,29-31,36,41-43,51-53,56,60,62-66,68,70,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB59345	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,45-52,57-64,70,72,74,76,91-93,98H,5-8,10,12,14,16-20,29-32,41-44,53-56,65-69,71,73,75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,76-72-/t91?,92-,93-/m1/s1
HMDB59344	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,45-52,57-64,70-72,74-76,91-93,98H,5-8,10-12,14-20,29-32,41-44,53-56,65-69,73,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB59347	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-8,10-12,14-20,24,28-32,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59346	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,45-52,57-64,70-72,74-76,91-93,98H,5-8,10,12,14,16-20,29-32,41-44,53-56,65-69,73,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB34145	(-)-cis-Rotenolone	[H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1(O)C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C	InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1
HMDB55827	TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-
HMDB10368	CE(18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1
HMDB10369	CE(18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,17-18,26,35-36,38-42H,7-10,13,16,19-25,27-34H2,1-6H3/b12-11-,15-14-,18-17-/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1
HMDB59348	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,10-12,14-20,24,28-32,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB10364	11-Hydroxyprogesterone 11-glucuronide	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15?,16-,17?,18?,19?,20+,21+,22-,23+,25-,26+,27-/m1/s1
HMDB10365	3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O	InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18?,19-,20+,21?,23-,24-,25-/m0/s1
HMDB10366	Hyaluronan	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18?,19?,20+,21+,22+,25-,26+,27-,28-/m1/s1
HMDB10367	CE(14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C41H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h10-11,22,31-32,34-38H,7-9,12-21,23-30H2,1-6H3/b11-10-/t32-,34+,35?,36?,37?,38?,40+,41-/m1/s1
HMDB10360	25-Hydroxyvitamin D2 25-(beta-glucuronide)	C[C@H](\C=C\[C@H](C)C(C)(C)OC1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,27+,28+,29-,30+,32?,34-/m1/s1
HMDB10361	(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)	C[C@H](C[C@H](OC1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C33H50O10/c1-17-8-11-21(34)16-20(17)10-9-19-7-6-14-33(5)22(12-13-23(19)33)18(2)15-24(29(38)32(3,4)41)42-31-27(37)25(35)26(36)28(43-31)30(39)40/h9-10,18,21-28,31,34-37,41H,1,6-8,11-16H2,2-5H3,(H,39,40)/b19-9+,20-10-/t18-,21+,22-,23+,24+,25+,26+,27-,28+,31?,33-/m1/s1
HMDB10362	6-Hydroxy-5-methoxyindole glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2NC=CC2=C1	InChI=1S/C15H17NO8/c1-22-8-4-6-2-3-16-7(6)5-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
HMDB10363	5-Hydroxy-6-methoxyindole glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2C=CNC2=C1	InChI=1S/C15H17NO8/c1-22-8-5-7-6(2-3-16-7)4-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
HMDB55828	TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-41,60H,4-6,9,12-15,18,22-23,29-30,35-37,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-
HMDB48549	TG(16:1(9Z)/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,35,38,44,47,60H,4-20,22-23,25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b24-21-,28-26-,38-35-,47-44-
HMDB48548	TG(16:1(9Z)/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-
HMDB48545	TG(16:1(9Z)/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-
HMDB48544	TG(16:1(9Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-
HMDB48547	TG(16:1(9Z)/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h21,24,26,33,58H,4-20,22-23,25,27-32,34-57H2,1-3H3/b24-21-,33-26-
HMDB12884	Adrenochrome	CN1CC(O)C2=CC(=O)C(=O)C=C12	InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3
HMDB12883	Adrenochrome o-semiquinone	CN1CC(O)C2=C1C=C(O)C([O])=C2	InChI=1S/C9H10NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,12-13H,4H2,1H3
HMDB12882	Adipate semialdehyde	OC(=O)CCCCC=O	InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)
HMDB12881	Acetylcarnosine	CC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(O)=O	InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m1/s1
HMDB12880	Acetamidopropanal	CC(=O)NCCC=O	InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)
HMDB48541	TG(16:1(9Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,42,45,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,45-42-
HMDB48540	TG(16:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-
HMDB00338	2-Hydroxyestradiol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3	InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
HMDB00339	2-Methylbutyrylglycine	CCC(C)C(=O)NCC(O)=O	InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
HMDB00309	3a,16b-Dihydroxyandrostenone	[H][C@@]12C[C@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C	InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13-,14+,15-,16-,18+,19-/m0/s1
HMDB00308	3b-Hydroxy-5-cholenoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1
HMDB00303	Tryptamine	NCCC1=CNC2=CC=CC=C12	InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
HMDB00302	Uridine diphosphategalactose	OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1
HMDB00301	Urocanic acid	OC(=O)\C=C\C1=CNC=N1	InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
HMDB00300	Uracil	O=C1NC=CC(=O)N1	InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
HMDB00307	1b-Hydroxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)C[C@@H](O)[C@]12C	InChI=1S/C24H40O6/c1-12(4-7-21(29)30)15-5-6-16-22-17(11-20(28)24(15,16)3)23(2)13(9-18(22)26)8-14(25)10-19(23)27/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14+,15-,16+,17+,18-,19-,20+,22+,23+,24-/m1/s1
HMDB00306	Tyramine	NCCC1=CC=C(O)C=C1	InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
HMDB00305	Vitamin A	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
HMDB00304	Uridine diphosphate-N-acetylgalactosamine	CC(=O)NC1C(O)C(O)C(CO)OC1OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1O)N1C=CC(=O)NC1=O	InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)
HMDB11280	PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,27,29,36,39,43H,6-8,10,12-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,29-27-,39-36-/t43-/m1/s1
HMDB11281	PC(P-18:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19,38,41,45H,6-16,18,20-37,39-40,42-44H2,1-5H3/b19-17-,41-38-/t45-/m1/s1
HMDB11282	PC(P-18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,38,41,45H,6-16,18,21,23-37,39-40,42-44H2,1-5H3/b19-17-,22-20-,41-38-/t45-/m1/s1
HMDB11283	PC(P-18:1(11Z)/20:2(11Z,14Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,38,41,45H,6-13,15,18,21,23-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,41-38-/t45-/m1/s1
HMDB11284	PC(P-18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,25,27,31,33,38,41,45H,6-16,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b19-17-,22-20-,27-25-,33-31-,41-38-
HMDB11285	PC(P-18:1(11Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,38,41,45H,6-13,15,18,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,41-38-/t45-/m1/s1
HMDB11286	PC(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,31,33,38,41,45H,6-13,15,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,33-31-,41-38-/t45-/m1/s1
HMDB11287	PC(dm18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,38,41,45H,6-7,9,11-13,15,18,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-,41-38-/t45-/m1/s1
HMDB11288	PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,31,33,38,41,45H,6-7,9,11-13,15,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-,33-31-,41-38-/t45-/m1/s1
HMDB11289	PC(P-18:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h17,19,40,43,47H,6-16,18,20-39,41-42,44-46H2,1-5H3/b19-17-,43-40-
HMDB48554	TG(16:1(9Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,59H,4-13,15-16,18-20,22,25,27-58H2,1-3H3/b17-14-,24-21-,26-23-
HMDB48555	TG(16:1(9Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,35,38,60H,4-16,18-19,22-23,25,27,29-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,28-26-,38-35-
HMDB48552	TG(16:1(9Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,34,59H,4-19,22,25-27,29-33,35-58H2,1-3H3/b23-20-,24-21-,34-28-
HMDB48553	TG(16:1(9Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,39,42,58H,4-16,18-19,22-23,25,27-32,34-38,40-41,43-57H2,1-3H3/b20-17-,24-21-,33-26-,42-39-
HMDB48550	TG(16:1(9Z)/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,62H,4-20,22-23,25,27,29-61H2,1-3H3/b24-21-,28-26-
HMDB48551	TG(16:1(9Z)/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,64H,4-20,22-23,26,28-63H2,1-3H3/b24-21-,27-25-
HMDB49201	TG(18:1(11Z)/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,37,40,46,49,62H,4-20,22-23,25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b24-21-,29-26-,40-37-,49-46-
HMDB03642	Strontium	[Sr++]	InChI=1S/Sr/q+2
HMDB49203	TG(18:1(11Z)/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,66H,4-20,22-23,26-27,29-65H2,1-3H3/b24-21-,28-25-
HMDB03640	Beta-Leucine	CC(C)[C@@H](N)CC(O)=O	InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
HMDB03647	Perillyl aldehyde	CC(=C)C1CCC(C=O)=CC1	InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
HMDB03646	N-Methylhydantoin	CN1CC(=O)NC1=O	InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
HMDB49207	TG(18:1(11Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,37,40,62H,4-16,18-19,22-23,25,27-28,30-36,38-39,41-61H2,1-3H3/b20-17-,24-21-,29-26-,40-37-
HMDB49206	TG(18:1(11Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,61H,4-13,15-16,18-20,22,25,27-60H2,1-3H3/b17-14-,24-21-,26-23-
HMDB49209	TG(18:1(11Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,64H,4-16,18-19,22-23,25,27-28,30-63H2,1-3H3/b20-17-,24-21-,29-26-
HMDB49208	TG(18:1(11Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,37,40,46,49,62H,4-16,18-19,22-23,25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b20-17-,24-21-,29-26-,40-37-,49-46-
HMDB03648	Retinyl palmitate	CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
HMDB52311	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,34-35,40,42-43,45,60H,4-7,10,13-16,19,22-24,29-33,36-39,41,44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,45-42-
HMDB54250	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44-46,48-49,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB54252	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB57158	CL(18:0/18:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,36,40,75-77,82H,5-24,26,28,30,32-35,37-39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,31-27-,40-36-/t75?,76-,77-/m1/s1
HMDB57159	CL(18:0/18:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35-36,39-40,75-77,82H,5-24,26-28,30-34,37-38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,39-35-,40-36-/t75?,76-,77-/m1/s1
HMDB57156	CL(18:0/18:1(9Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,36,40,75-77,82H,5-24,26-28,30-35,37-39,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,40-36-/t75?,76-,77-/m1/s1
HMDB54254	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-15,22-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB57154	CL(18:0/18:1(9Z)/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32,34-35,37-38,73-75,80H,5-27,29-31,33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB57155	CL(18:0/18:1(9Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,35,38,73-75,80H,5-24,26-28,30-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,38-35-/t73?,74-,75-/m1/s1
HMDB57152	CL(18:0/18:1(9Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h27-28,31-32,34,36,71-73,78H,5-26,29-30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB57153	CL(18:0/18:1(9Z)/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32,35,38,73-75,80H,5-25,27,29,31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-,38-35-/t73?,74-,75-/m1/s1
HMDB57150	CL(18:0/18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB54255	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB54256	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-15,22-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB54257	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-15,22-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB31738	3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C	InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
HMDB31739	7-Hydroxy-3,7-dimethyloctanal	CC(CCCC(C)(C)O)CC=O	InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
HMDB31736	2-Hexyl-3-phenyl-2-propenal	CCCCCC\C(C=O)=C/C1=CC=CC=C1	InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
HMDB31737	delta-Methylionone	CC(=O)C(\C)=C\C1=C(C)CCCC1(C)C	InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+
HMDB31734	2-Methylundecanal	CCCCCCCCCC(C)C=O	InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
HMDB31735	Ethyl maltol	CCC1=C(O)C(=O)C=CO1	InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3
HMDB31732	3-Nonanol	CCCCCCC(O)CC	InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3
HMDB31733	4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde	CC(C)=CCCC1=CCC(CC1)C=O	InChI=1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3
HMDB31730	3,5,5-Trimethylhexanal	CC(CC=O)CC(C)(C)C	InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
HMDB31731	3-Methyl-1-phenyl-3-pentanol	CCC(C)(O)CCC1=CC=CC=C1	InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
HMDB07940	PC(15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h14,16,20-21,39H,6-13,15,17-19,22-38H2,1-5H3/b16-14-,21-20-/t39-/m1/s1
HMDB07941	PC(15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h14,16,20-21,24,26,39H,6-13,15,17-19,22-23,25,27-38H2,1-5H3/b16-14-,21-20-,26-24-/t39-/m1/s1
HMDB07942	PC(15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,39H,6-7,9,11-13,15,17-19,22-38H2,1-5H3/b10-8-,16-14-,21-20-/t39-/m1/s1
HMDB07943	PC(15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,24,26,39H,6-7,9,11-13,15,17-19,22-23,25,27-38H2,1-5H3/b10-8-,16-14-,21-20-,26-24-/t39-/m1/s1
HMDB07944	PC(15:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1
HMDB07945	PC(15:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1
HMDB07946	PC(15:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,41H,6-13,15,17-19,22-40H2,1-5H3/b16-14-,21-20-/t41-/m1/s1
HMDB07947	PC(15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h20-21,23-24,28,30,41H,6-19,22,25-27,29,31-40H2,1-5H3/b21-20-,24-23-,30-28-/t41-/m1/s1
HMDB07948	PC(15:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,41H,6-13,15,17-19,22,25-40H2,1-5H3/b16-14-,21-20-,24-23-/t41-/m1/s1
HMDB07949	PC(15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,28,30,41H,6-13,15,17-19,22,25-27,29,31-40H2,1-5H3/b16-14-,21-20-,24-23-,30-28-/t41-/m1/s1
HMDB35424	Momordicoside I	CC(C\C=C\C(C)(C)O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C	InChI=1S/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+
HMDB35425	2,8-Decadiene-4,6-diyn-1-ol; (2E,8Z)-form, 3-Methylbutanoyl	C\C=C/C#CC#C\C=C\COC(=O)CC(C)C	InChI=1S/C15H18O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,10-11,14H,12-13H2,1-3H3/b5-4-,11-10+
HMDB35422	4-Hydroxyoctanoic acid, 9CI; ()-form, Lactone	CCCCC1CCC(=O)O1	InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
HMDB35420	Pyranocyanin A	CC1OC(OCC2OC(OC3=C4C=C(C)OC5=C4C(=CC(O)=C5)[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C30H32O15/c1-10-5-14-20-17(41-10)7-13(31)8-18(20)43-27(12-3-4-15(32)16(33)6-12)28(14)45-30-26(39)24(37)22(35)19(44-30)9-40-29-25(38)23(36)21(34)11(2)42-29/h3-8,11,19,21-26,29-30,34-39H,9H2,1-2H3,(H2-,31,32,33)/p+1
HMDB35421	Pyranodelphinin A	CC1OC(OCC2OC(OC3=C4C=C(C)OC5=C4C(=CC(O)=C5)[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C30H32O16/c1-9-3-13-19-16(42-9)6-12(31)7-17(19)44-27(11-4-14(32)21(35)15(33)5-11)28(13)46-30-26(40)24(38)22(36)18(45-30)8-41-29-25(39)23(37)20(34)10(2)43-29/h3-7,10,18,20,22-26,29-30,34,36-40H,8H2,1-2H3,(H3-,31,32,33,35)/p+1
HMDB35394	ent-16-Kaurene	CC1(C)CCCC2(C)C3CCC4CC3(CC4=C)CCC12	InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3
HMDB35395	Ginsenoside C	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3
HMDB35396	T2 Triol	CC(C)CC(=O)OC1CC2(CO)C(OC3C(O)C(O)C2(C)C32CO2)C=C1C	InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3
HMDB35397	Cohibin C	CCCCCCCCCCCC\C=C/CCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3/b24-21-
HMDB35390	5-Octen-2-one	CC\C=C/CCC(C)=O	InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
HMDB02278	2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-7(2-16)10(20)13(6)25-14-12(22)11(21)9(19)8(3-17)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9+,10-,11+,12-,13-,14+/m1/s1
HMDB02275	7,8-Dihydroneopterin	NC1=NC(=O)C2=C(NCC(=N2)C(O)C(O)CO)N1	InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)
HMDB02274	Methylcobalamin	C(CC(N)=O)C1C2=[N]3[Co+3]456(C)[N]7=CN(C8=CC(=C(C)C=C78)C)C7OC(C(C7O)OP([O-])(=O)OC(CNC(=O)CCC7(C(CC(N)=O)C(N4C7=C2C)C2(C(CC(N)=O)(C(CCC(N)=O)C(C(=C4[N]5=C(C(C4(CC(N)=O)C)CCC(N)=O)C=C3C1(C)C)C)=[N]62)C)C)C)C)CO	InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+4/p-2
HMDB02277	2,3-Dinor-6-keto-prostaglandin F1 a	CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O	InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16-,17-/m0/s1
HMDB02276	O-6-deoxy-a-L-galactopyranosyl-(1-&gt;2)-O-b-D-galactopyranosyl-(1-&gt;4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)OC=C(NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C20H33NO14/c1-6-11(25)14(28)16(30)19(32-6)35-18-15(29)13(27)9(3-22)33-20(18)34-17-10(4-23)31-5-8(12(17)26)21-7(2)24/h5-6,9-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)/t6-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1
HMDB02271	Imidazolepropionic acid	OC(=O)CCC1=CN=CN1	InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
HMDB35399	Cartorimine	OCC12OC(C(C1C1=CC=C(O)C=C1)C(O)=O)C(=O)C=C2	InChI=1S/C15H14O6/c16-7-15-6-5-10(18)13(21-15)11(14(19)20)12(15)8-1-3-9(17)4-2-8/h1-6,11-13,16-17H,7H2,(H,19,20)
HMDB02273	4-Hydroxy-L-glutamic acid	N[C@@H](CC(O)C([O-])=O)C([O-])=O	InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/p-2/t2-,3?/m0/s1
HMDB02272	7,7',8,8',11,11',12,12'-Hexahydro-y,y-Carotene	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
HMDB30061	1,1-Dimethoxyethane	COC(C)OC	InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3
HMDB30060	3-Phenylpropanoic acid; Me ester	COC(=O)CCC1=CC=CC=C1	InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
HMDB30063	Benzyl propionate	CCC(=O)OCC1=CC=CC=C1	InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
HMDB30062	Methyl propionate	CCC(=O)OC	InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
HMDB30065	Colupulone	CC(C)C(=O)C1C(=O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O	InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,20,28H,10,13-14H2,1-8H3
HMDB30064	Cohulupone	CC(C)C(=O)C1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	InChI=1S/C19H26O4/c1-11(2)7-9-19(10-8-12(3)4)17(22)14(15(20)13(5)6)16(21)18(19)23/h7-8,13-14H,9-10H2,1-6H3
HMDB30067	Convallamaroside	CC1C2C(CC3C4CCC5CC(CC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC1(O)CCC(=C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3
HMDB30066	Australigenin	CC1C2C(CC3C4CCC5CC(O)CC(O)C5(C)C4CCC23C)OC11CCC(=C)CO1	InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3
HMDB30069	Chalcomoracin	CC(C)=CCC1=C(O)C(=CC=C1O)C(=O)C1C(CC(C)=CC1C1=C(O)C=C(C=C1O)C1=CC2=C(O1)C=C(O)C=C2)C1=C(O)C=C(O)C=C1	InChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3
HMDB30068	Dimoracin	CC1=CC2C(C(OC3=C2C(O)=CC(=C3)C2=CC3=C(O2)C=C(O)C=C3)C2=C(O)C=C(C=C2O)C2=CC3=C(O2)C=C(O)C=C3)C(C)(C)C1	InChI=1S/C38H32O8/c1-18-8-25-34-26(41)11-22(30-13-20-5-7-24(40)16-32(20)45-30)14-33(34)46-37(36(25)38(2,3)17-18)35-27(42)9-21(10-28(35)43)29-12-19-4-6-23(39)15-31(19)44-29/h4-16,25,36-37,39-43H,17H2,1-3H3
HMDB02899	Ellagic acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2	InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
HMDB02890	3-cis-Hydroxy-b,e-Caroten-3'-one	C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC=CC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-27,36-37,41H,28-29H2,1-10H3/b12-11-,18-13+,19-14+,25-23+,26-24+,30-16-,31-17+,32-20+,33-21+
HMDB02895	Sennidin B	[H][C@@]1(C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+
HMDB02894	5-Methylcytosine	CC1=C(N)NC(=O)N=C1	InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
HMDB40349	Pancal	[Na+].CC(C)(CO)C(O)C(=O)NCCC(O)=O	InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1
HMDB40348	1,8-Octanedithiol	SCCCCCCCCS	InChI=1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
HMDB48433	TG(16:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,34,39,42,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,34-31-,42-39-
HMDB40343	Leonoside B	COC1=CC=C(CCOC2OC(CO)C(OC(=O)\C=C/C3=CC=C(O)C(OC)=C3)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C=C1O	InChI=1S/C36H48O19/c1-16-26(42)28(44)33(55-34-29(45)27(43)21(40)15-50-34)36(51-16)54-32-30(46)35(49-11-10-18-5-8-22(47-2)20(39)12-18)52-24(14-37)31(32)53-25(41)9-6-17-4-7-19(38)23(13-17)48-3/h4-9,12-13,16,21,24,26-40,42-46H,10-11,14-15H2,1-3H3/b9-6-
HMDB40342	Leonoside A	COC1=CC(\C=C/C(=O)OC2C(CO)OC(OCCC3=CC=C(O)C(O)=C3)C(O)C2OC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC=C1O	InChI=1S/C35H46O19/c1-15-25(42)27(44)32(54-33-28(45)26(43)21(40)14-49-33)35(50-15)53-31-29(46)34(48-10-9-17-3-6-18(37)20(39)11-17)51-23(13-36)30(31)52-24(41)8-5-16-4-7-19(38)22(12-16)47-2/h3-8,11-12,15,21,23,25-40,42-46H,9-10,13-14H2,1-2H3/b8-5-
HMDB40341	Lavandulifolioside	CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(CO)C2OC(=O)\C=C/C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4-
HMDB40340	2-Isopropyl-3-methoxypyrazine	COC1=C(N=CC=N1)C(C)C	InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
HMDB40347	2-Methyl-1-propenethiol	CC(C)C=S.CC(C)=CS	InChI=1S/2C4H8S/c2*1-4(2)3-5/h3,5H,1-2H3;3-4H,1-2H3
HMDB40346	Thial-1-Propene-1-thiol S-oxide	CCC=S=O	InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3
HMDB40345	1-Propene-1-thiol	CCC=S.C\C=C/S	InChI=1S/2C3H6S/c2*1-2-3-4/h3H,2H2,1H3;2-4H,1H3/b;3-2-
HMDB40344	3,5,6-Trihydroxy-3',4',7-trimethoxyflavone	COC1=CC2=C(C(O)=C1O)C(=O)C(O)=C(O2)C1=CC(OC)=C(OC)C=C1	InChI=1S/C18H16O8/c1-23-9-5-4-8(6-10(9)24-2)18-17(22)16(21)13-11(26-18)7-12(25-3)14(19)15(13)20/h4-7,19-20,22H,1-3H3
HMDB51240	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34-35,38,44,47,60H,4-8,10-11,13-15,17,20,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB51241	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34-35,38,40,43-44,47,60H,4-8,10-11,13-15,17,20,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB51242	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,36-37,39-40,46,49,62H,4-7,9-10,12-15,18,21-24,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB51243	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-15,18,21-24,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB51244	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB51245	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB08338	PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,44H,6-8,10,12-13,18-19,23,25-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-/t44-/m1/s1
HMDB08339	PC(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,29,31,44H,6-8,10,12-13,18-19,23,25-28,30,32-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,31-29-/t44-/m1/s1
HMDB08336	PC(20:2(11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24,44H,6-13,18-19,23,25-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-/t44-/m1/s1
HMDB08337	PC(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24,29,31,44H,6-13,18-19,23,25-28,30,32-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,31-29-/t44-/m1/s1
HMDB08334	PC(20:2(11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,44H,6-13,15,18,21,23-43H2,1-5H3/b16-14-,19-17-,22-20-/t44-/m1/s1
HMDB08335	PC(20:2(11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24,44H,6-13,15,17-19,23,25-43H2,1-5H3/b16-14-,22-20-,24-21-/t44-/m1/s1
HMDB08332	PC(20:2(11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,42H,6-13,15,18,22-41H2,1-5H3/b16-14-,19-17-,21-20-/t42-/m1/s1
HMDB08333	PC(20:2(11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,44H,6-13,15,17-19,21,23-43H2,1-5H3/b16-14-,22-20-/t44-/m1/s1
HMDB08330	PC(20:2(11Z,14Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h14,16,20-21,41H,6-13,15,17-19,22-40H2,1-5H3/b16-14-,21-20-/t41-/m1/s1
HMDB08331	PC(20:2(11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,42H,6-13,15,17-19,22-41H2,1-5H3/b16-14-,21-20-/t42-/m1/s1
HMDB57464	CL(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,42,50,54,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB33006	Neobignonoside	OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C(O)=C2)C1O	InChI=1S/C28H24O13/c29-14-4-1-12(2-5-14)27(37)38-11-22-24(34)25(35)26(36)28(41-22)39-15-8-18(32)23-19(33)10-20(40-21(23)9-15)13-3-6-16(30)17(31)7-13/h1-10,22,24-26,28-32,34-36H,11H2
HMDB33007	(2R,3R)-2,3-Butanediol	C[C@@H](O)[C@@H](C)O	InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
HMDB31899	Theacitrin C	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C2(O)C1C1(C=C(O)C(=O)C(O)=C1C2=O)C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H32O22/c45-15-5-20(47)17-9-29(65-41(60)13-1-22(49)33(55)23(50)2-13)37(63-27(17)7-15)19-11-31(54)44(62)38(19)43(12-26(53)35(57)36(58)32(43)39(44)59)40-30(10-18-21(48)6-16(46)8-28(18)64-40)66-42(61)14-3-24(51)34(56)25(52)4-14/h1-8,11-12,29-30,37-38,40,45-53,55-56,58,62H,9-10H2
HMDB31898	Porric acid C	CC1=C2C(OC3=C2C=C(O)C=C3C(O)=O)=CC(O)=C1	InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(14(17)18)13(9)19-11/h2-5,15-16H,1H3,(H,17,18)
HMDB33002	5-Methyl-2-furancarboxaldehyde	CC1=CC=C(O1)C=O	InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
HMDB33003	1-(5-Methyl-2-furanyl)-1,2-propanedione	CC(=O)C(=O)C1=CC=C(C)O1	InChI=1S/C8H8O3/c1-5-3-4-7(11-5)8(10)6(2)9/h3-4H,1-2H3
HMDB33000	10-Methylacridone	CN1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2	InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3
HMDB33001	2-Methylbenzothiazole	CC1=NC2=C(S1)C=CC=C2	InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
HMDB31893	Squamoxinone	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-14-16-21-31(39)20-15-12-13-17-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3
HMDB31892	Capsianoside II	CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C50H84O25/c1-8-50(7,75-49-44(38(61)33(56)28(19-52)71-49)74-47-40(63)36(59)32(55)27(18-51)70-47)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)43(31(54)26(6)69-46)73-48-41(64)37(60)34(57)29(72-48)21-67-45-39(62)35(58)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12-,23-16+,24-15+
HMDB31891	Capsianoside III	CC1OC(OCC2OC(OC3C(O)C(O)C(CO)OC3OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11-,23-15+,24-14+
HMDB31890	7-(Methylthio)heptanenitrile	CSCCCCCCC#N	InChI=1S/C8H15NS/c1-10-8-6-4-2-3-5-7-9/h2-6,8H2,1H3
HMDB31897	Phaseolic acid	OCCCCC(O)CCC(O)CCC(=O)C(O)=O	InChI=1S/C12H22O6/c13-8-2-1-3-9(14)4-5-10(15)6-7-11(16)12(17)18/h9-10,13-15H,1-8H2,(H,17,18)
HMDB31896	Erinacine D	CCOC1CC2C3=C(CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O)C(C)C	InChI=1S/C27H42O7/c1-6-32-20-12-18-22-17(15(2)3)7-8-26(22,4)9-10-27(18,5)21(11-16(20)13-28)34-25-24(31)23(30)19(29)14-33-25/h11,13,15,18-21,23-25,29-31H,6-10,12,14H2,1-5H3
HMDB33008	4-O-Caffeoyl-3-O-feruloylquinic acid	COC1=CC(\C=C/C(=O)OC2CC(O)(CC(O)C2OC(=O)\C=C/C2=CC=C(O)C(O)=C2)C(O)=O)=CC=C1O	InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-5-,9-4-
HMDB31894	Castacrenin F	OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C3=C1C(=O)OC(C1OC(=O)C4=C(C1C1=C5C(=O)OC6=C7C(=CC(O)=C6O)C(=O)OC(C(O)=C1O)=C57)C(O)=C(O)C(O)=C34)C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OCC1OC2=O	InChI=1S/C55H30O33/c56-10-1-6-15(33(64)29(10)60)16-7(2-11(57)30(61)34(16)65)51(77)84-44-14(5-82-49(6)75)83-50(76)8-3-12(58)31(62)35(66)17(8)19-26-20(37(68)41(72)36(19)67)21-27-22(39(70)42(73)38(21)69)25(47(87-53(27)79)48(44)88-54(26)80)23-28-24-18-9(52(78)85-46(24)43(74)40(23)71)4-13(59)32(63)45(18)86-55(28)81/h1-4,14,25,44,47-48,56-74H,5H2
HMDB08800	PC(24:1(15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h20,22,50H,6-19,21,23-49H2,1-5H3/b22-20-/t50-/m1/s1
HMDB08801	PC(24:1(15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1
HMDB08802	PC(24:1(15Z)/20:2(11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,50H,6-14,16,18-19,24-49H2,1-5H3/b17-15-,22-20-,23-21-/t50-/m1/s1
HMDB08803	PC(24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h20-23,31,33,37,39,50H,6-19,24-30,32,34-36,38,40-49H2,1-5H3/b22-20-,23-21-,33-31-,39-37-/t50-/m1/s1
HMDB08804	PC(24:1(15Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,31,33,50H,6-14,16,18-19,24-30,32,34-49H2,1-5H3/b17-15-,22-20-,23-21-,33-31-/t50-/m1/s1
HMDB08805	PC(24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,31,33,37,39,50H,6-14,16,18-19,24-30,32,34-36,38,40-49H2,1-5H3/b17-15-,22-20-,23-21-,33-31-,39-37-/t50-/m1/s1
HMDB08806	PC(24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,31,33,50H,6-8,10,12-14,16,18-19,24-30,32,34-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,33-31-/t50-/m1/s1
HMDB08807	PC(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,31,33,37,39,50H,6-8,10,12-14,16,18-19,24-30,32,34-36,38,40-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,33-31-,39-37-/t50-/m1/s1
HMDB08808	PC(24:1(15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H106NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h20,22,52H,6-19,21,23-51H2,1-5H3/b22-20-/t52-/m1/s1
HMDB08809	PC(24:1(15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h20-23,52H,6-19,24-51H2,1-5H3/b22-20-,23-21-/t52-/m1/s1
HMDB29258	Luteolin 6-C-glucoside 8-C-arabinoside	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C([H])C(=O)C2=C(O[H])C(=C(O[H])C(=C2O1)C1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13-,17-,18-,21+,22+,23-,24-,26?,27?/m1/s1
HMDB29259	Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside	[H]OC(=O)C([H])([H])C(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C(O[H])=C3C(=O)C([H])=C(OC3=C2[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])[C@]([H])(O[C@]2([H])OC([H])([H])[C@](O[H])(C([H])([H])O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[C@]1([H])O[C@@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	InChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20-,21+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+/m0/s1
HMDB45434	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33,35,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-24,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB45435	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB45432	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,39,42,48,51,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,42-39-,51-48-
HMDB45433	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB45430	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,30-31,37,40,46,49,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,40-37-,49-46-
HMDB45431	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,30-32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,40-37-,49-46-
HMDB29250	Pigment A aglycone	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O)C1=CC=C(O)C=C1)=CC(O)=C2	InChI=1S/C25H18O8/c1-30-20-7-13(8-21(31-2)24(20)29)25-23(28)16-11-17(12-3-5-14(26)6-4-12)32-18-9-15(27)10-19(33-25)22(16)18/h3-11H,1-2H3,(H3-,26,27,28,29)/p+1
HMDB29251	Pinotin A aglycone	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O)C1=CC=C(O)C(O)=C1)=CC(O)=C2	InChI=1S/C25H18O9/c1-31-20-6-12(7-21(32-2)24(20)30)25-23(29)14-10-17(11-3-4-15(27)16(28)5-11)33-18-8-13(26)9-19(34-25)22(14)18/h3-10H,1-2H3,(H4-,26,27,28,29,30)/p+1
HMDB29252	Phloretin xylosyl-galactoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C(=O)C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])=C(O[H])C([H])=C1O[H]	InChI=1S/C26H32O14/c27-9-17-20(33)22(35)24(40-25-23(36)21(34)18(10-28)38-25)26(39-17)37-16-8-13(30)7-15(32)19(16)14(31)6-3-11-1-4-12(29)5-2-11/h1-2,4-5,7-8,17-18,20-30,32-36H,3,6,9-10H2/t17-,18-,20+,21+,22+,23-,24-,25+,26-/m1/s1
HMDB29253	3-Hydroxyphloretin	[H]OC1=C([H])C(O[H])=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C(O[H])=C1[H]	InChI=1S/C15H14O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1,3,5-7,16-17,19-21H,2,4H2
HMDB29254	Isoneotheaflavin 3-O-gallate	[H]OC1=C([H])C2=C(C(O[H])=C1[H])C([H])([H])[C@]([H])(O[H])C([H])(O2)C1=C2C([H])=C(C([H])=C(O[H])C(=O)C2=C(O[H])C(O[H])=C1[H])C1([H])OC2=C(C(O[H])=C([H])C(O[H])=C2[H])C([H])([H])[C@]1([H])OC(=O)C1=C([H])C(O[H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34?,35?/m0/s1
HMDB29255	(-)-Catechin 3-O-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1	InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
HMDB29256	Isoneotheaflavin	[H]OC1=C([H])C2=C(C(O[H])=C1[H])C([H])([H])[C@]([H])(O[H])C([H])(O2)C1=C([H])C(O[H])=C(O[H])C2=C1C([H])=C(C([H])=C(O[H])C2=O)C1([H])OC2=C(C(O[H])=C([H])C(O[H])=C2[H])C([H])([H])[C@]1([H])O[H]	InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28?,29?/m0/s1
HMDB29257	Procyanidin trimer T3	[H]OC1=C([H])C2=C(C(O[H])=C1[H])C([H])(C1=C(O[H])C3=C(O[C@]([H])(C4=C([H])C([H])=C(O[H])C(O[H])=C4[H])[C@]([H])(O[H])C3([H])C3=C(O[H])C([H])=C(O[H])C4=C3O[C@]([H])(C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])[C@]([H])(O[H])C4([H])[H])C([H])=C1O[H])[C@@]([H])(O[H])[C@]([H])(O2)C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37?,38?,40-,41-,42-,43-,44-/m1/s1
HMDB32358	Lauroyl diethanolamide	CCCCCCCCCCCC(=O)N(CCO)CCO	InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
HMDB32351	Isopropenyl acetate	CC(=C)OC(C)=O	InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
HMDB32350	Isopentylideneisopentylamine	CC(C)CC\N=C\CC(C)C	InChI=1S/C10H21N/c1-9(2)5-7-11-8-6-10(3)4/h7,9-10H,5-6,8H2,1-4H3/b11-7+
HMDB32353	Isopropyl citrate	CC(C)O.CC(=O)CC(O)(CC(O)=O)C(O)=O	InChI=1S/C7H10O6.C3H8O/c1-4(8)2-7(13,6(11)12)3-5(9)10;1-3(2)4/h13H,2-3H2,1H3,(H,9,10)(H,11,12);3-4H,1-2H3
HMDB32352	3-Isopropenylpentanedioic acid	CC(=C)C(CC(O)=O)CC(O)=O	InChI=1S/C8H12O4/c1-5(2)6(3-7(9)10)4-8(11)12/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12)
HMDB32355	(+/-)-[R-(E)]-5-Isopropyl-8-methylnona-6,8-dien-2-one	CC(C)C(CCC(C)=O)C=CC(C)=C	InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+
HMDB32354	S-Isopropyl 3-methylbut-2-enethioate	CC(C)SC(=O)C=C(C)C	InChI=1S/C8H14OS/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3
HMDB32357	N-Lactoyl ethanolamine phosphate	CC(O)C(=O)NCCOP(O)(O)=O	InChI=1S/C5H12NO6P/c1-4(7)5(8)6-2-3-12-13(9,10)11/h4,7H,2-3H2,1H3,(H,6,8)(H2,9,10,11)
HMDB32356	N-Lactoyl ethanolamine	CC(O)C(=O)NCCO	InChI=1S/C5H11NO3/c1-4(8)5(9)6-2-3-7/h4,7-8H,2-3H2,1H3,(H,6,9)
HMDB36405	7-Epizucchini factor A	CC1(COC(=O)C2=CC=CC=C2)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)C2=CC=C(N)C=C2)C(C)(C)C1CC4O	InChI=1S/C44H59NO5/c1-39(2)33-25-32(46)36-31(42(33,5)19-18-35(39)50-38(48)29-13-15-30(45)16-14-29)17-20-43(6)34-26-40(3,21-22-41(34,4)23-24-44(36,43)7)27-49-37(47)28-11-9-8-10-12-28/h8-16,32-35,46H,17-27,45H2,1-7H3
HMDB36404	12-Ursene-3,19-diol; (3b,19a)-form, 3-Ac	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1(C)O	InChI=1S/C32H52O3/c1-20-12-15-28(5)18-19-30(7)22(26(28)32(20,9)34)10-11-24-29(6)16-14-25(35-21(2)33)27(3,4)23(29)13-17-31(24,30)8/h10,20,23-26,34H,11-19H2,1-9H3
HMDB36406	Ganosporelactone A	CC1CC2(CC(C)C(=O)O2)C2C1C1(C)C(O)C(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C2=O	InChI=1S/C30H40O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-16,18,21,24,31,35H,8-12H2,1-7H3
HMDB36401	2',4'-Dihydroxy-7-methoxy-8-prenylflavan	COC1=CC=C2CCC(OC2=C1CC=C(C)C)C1=CC=C(O)C=C1O	InChI=1S/C21H24O4/c1-13(2)4-8-17-19(24-3)10-5-14-6-11-20(25-21(14)17)16-9-7-15(22)12-18(16)23/h4-5,7,9-10,12,20,22-23H,6,8,11H2,1-3H3
HMDB36400	2',4',7-Trihydroxy-8-prenylflavan; (S)-form, 4'-Me ether, 2',7-di-O-b-D-glucopyranoside	COC1=CC=C(C2CCC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C(CC=C(C)C)=C3O2)C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C33H44O14/c1-15(2)4-8-19-21(44-32-29(40)27(38)25(36)23(13-34)46-32)11-6-16-5-10-20(43-31(16)19)18-9-7-17(42-3)12-22(18)45-33-30(41)28(39)26(37)24(14-35)47-33/h4,6-7,9,11-12,20,23-30,32-41H,5,8,10,13-14H2,1-3H3
HMDB36403	Ganosporelactone B	CC1CC2(CC(C)C(=O)O2)C2C1C1(C)C(O)C(=O)C3=C(C(O)CC4C(C)(C)C(O)CCC34C)C1(C)C2=O	InChI=1S/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3
HMDB30850	Artoflavanone	COC1=CC(=CC(OC)=C1OC)C1CC(=O)C2=C(O)C(CC=C(C)C)=C(OC)C=C2O1	InChI=1S/C24H28O7/c1-13(2)7-8-15-18(27-3)12-19-22(23(15)26)16(25)11-17(31-19)14-9-20(28-4)24(30-6)21(10-14)29-5/h7,9-10,12,17,26H,8,11H2,1-6H3
HMDB30851	Aspalathin	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C(C(=O)CCC2=CC(O)=C(O)C=C2)=C1O	InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2
HMDB30852	Asperxanthone	COC1=CC2=C(C(OC)=C1)C1=C(C(O)=C2)C(=O)C=C(C)O1	InChI=1S/C16H14O5/c1-8-4-11(17)15-12(18)6-9-5-10(19-2)7-13(20-3)14(9)16(15)21-8/h4-7,18H,1-3H3
HMDB37801	Annuolide A	OCC1=CCC2C1C1OC(=O)C(=C)C1CCC2=C	InChI=1S/C15H18O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,11-14,16H,1-3,5-7H2
HMDB37806	Dihydrocitronellal	CCC(C)CCCC(C)C=O	InChI=1S/C10H20O/c1-4-9(2)6-5-7-10(3)8-11/h8-10H,4-7H2,1-3H3
HMDB37807	9-Undecenal	C\C=C\CCCCCCCC=O	InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,11H,4-10H2,1H3/b3-2+
HMDB30856	Aurasperone C	COC1=CC2=C(C3=C(C(=O)CC(C)(O)O3)C(O)=C2C(OC)=C1)C1=C(OC)C2=C(C=C1O)C=C1OC(C)(O)CC(=O)C1=C2O	InChI=1S/C31H28O12/c1-30(37)10-16(33)23-19(42-30)7-12-6-15(32)24(28(41-5)20(12)26(23)35)22-14-8-13(39-3)9-18(40-4)21(14)27(36)25-17(34)11-31(2,38)43-29(22)25/h6-9,32,35-38H,10-11H2,1-5H3
HMDB37805	D6-Ambrettolide	O=C1CCCC\C=C\CCCCCCCCCO1	InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2/b6-4+
HMDB30858	Austdiol	CC1=CC2=C(C=O)C(=O)C(C)(O)C(O)C2=CO1	InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3
HMDB30859	Austrobailignan 7	COC1=C(O)C=CC(=C1)C1OC(C(C)C1C)C1=CC=C2OCOC2=C1	InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3
HMDB37808	Hexahydro-2',4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3'(2'H)-furan]	CC1OCC2SC3(CCOC3C)SC12	InChI=1S/C10H16O2S2/c1-6-9-8(5-12-6)13-10(14-9)3-4-11-7(10)2/h6-9H,3-5H2,1-2H3
HMDB37809	Hexahydro-2',3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]	CC1OCCC11SC2CCOC2(C)S1	InChI=1S/C10H16O2S2/c1-7-10(4-6-11-7)13-8-3-5-12-9(8,2)14-10/h7-8H,3-6H2,1-2H3
HMDB46169	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,38,41,47,50,62H,4-8,10-11,13-15,17,20,22-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,41-38-,50-47-
HMDB46168	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB46161	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB46160	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-,48-45-
HMDB46163	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-
HMDB46162	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-,50-47-
HMDB46165	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,32,34,37-38,41,43,46,58H,4-7,9-10,12-16,19,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB46164	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,33,35,38,44,47,59H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-32,34,36-37,39-43,45-46,48-58H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,33-30-,38-35-,47-44-
HMDB46167	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,45,48,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,48-45-
HMDB46166	TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,35,38,44,47,59H,4-7,9-10,12-14,16,19,21-23,25,28,30-34,36-37,39-43,45-46,48-58H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,38-35-,47-44-
HMDB43108	TG(15:0/22:0/20:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB43109	TG(15:0/22:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB43104	TG(15:0/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB43105	TG(15:0/22:0/15:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h52H,4-51H2,1-3H3
HMDB43106	TG(15:0/22:0/16:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB43107	TG(15:0/22:0/18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB43100	TG(15:0/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-31-
HMDB43101	TG(15:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,39,42,55H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,42-39-
HMDB43102	TG(15:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,35,38,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,38-35-
HMDB43103	TG(15:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,35,38,44,47,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,38-35-,47-44-
HMDB44208	TG(16:0/22:1(13Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,57H,4-13,15-16,18-22,24,28-56H2,1-3H3/b17-14-,26-23-,27-25-
HMDB09216	PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,33,36,40H,3-5,7,9-11,13,15-16,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB44209	TG(16:0/22:1(13Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,58H,4-16,18-19,21-24,29-32,34-35,37-57H2,1-3H3/b20-17-,27-25-,28-26-,36-33-
HMDB09217	PE(20:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1
HMDB09214	PE(18:4(6Z,9Z,12Z,15Z)/P-18:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,33,36,40H,3-5,7,9-11,13,15-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB07671	DG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,45,48H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t45-/m0/s1
HMDB09212	PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,29,31,45H,3-5,7,9-11,13,15-16,20-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-,31-29-/t45-/m1/s1
HMDB09213	PE(18:4(6Z,9Z,12Z,15Z)/P-16:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C39H70NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,31,34,38H,3-4,6,8-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b7-5-,13-11-,19-17-,24-22-,34-31-/t38-/m1/s1
HMDB09210	PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,32,34,43H,3-4,9-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-/m1/s1
HMDB09211	PE(18:4(6Z,9Z,12Z,15Z)/24:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,29,31,45H,3-5,7,9-11,13,15-17,19-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-,31-29-/t45-/m1/s1
HMDB31079	12-Ketoporrigenin	CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CC(=O)C23C)OC11CCC(C)CO1	InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3
HMDB31078	Pentadecanal	CCCCCCCCCCCCCCC=O	InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
HMDB44204	TG(16:0/22:1(13Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-
HMDB07956	PC(15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,32,34,43H,6-13,15,17-19,22,25,27,29-31,33,35-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-,34-32-/t43-/m1/s1
HMDB31071	2-Methyltricosane	CCCCCCCCCCCCCCCCCCCCCC(C)C	InChI=1S/C24H50/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3/h24H,4-23H2,1-3H3
HMDB31070	(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein	CS\C=C/C#CCC1=CC=C(O1)\C=C/C=O	InChI=1S/C13H12O2S/c1-16-11-4-2-3-6-12-8-9-13(15-12)7-5-10-14/h4-5,7-11H,6H2,1H3/b7-5-,11-4-
HMDB31073	12-Methyl-13-tridecanolide	CC1CCCCCCCCCCC(=O)OC1	InChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3
HMDB31072	12-Methyltridecanoic acid	CC(C)CCCCCCCCCCC(O)=O	InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
HMDB31075	Glycerol 1-octadecanoate	CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO	InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
HMDB31074	Glycerol 1-hexadecanoate	CCCCCCCCCCCCCCCC(=O)OCC(O)CO	InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3
HMDB31076	Gibberellin A105	CC12CC(O)CC3(OC1=O)C2C(C(O)=O)C12CC4CCC31C2C4=C	InChI=1S/C19H22O5/c1-8-9-3-4-18-12(8)17(18,5-9)11(14(21)22)13-16(2)6-10(20)7-19(13,18)24-15(16)23/h9-13,20H,1,3-7H2,2H3,(H,21,22)
HMDB07954	PC(15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h14,16,20-21,43H,6-13,15,17-19,22-42H2,1-5H3/b16-14-,21-20-/t43-/m1/s1
HMDB44459	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,37-38,40,44,47,56H,4-15,18,21-24,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-
HMDB44458	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,36,39,45,48,57H,4-15,17-18,21-22,24,26,29,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,39-36-,48-45-
HMDB44457	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,41,44,50,53,62H,4-16,18-19,21-24,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,44-41-,53-50-
HMDB07953	PC(15:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1
HMDB44455	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-15,17-18,20-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB44454	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,37,40,46,49,58H,4-15,17-18,20-24,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,40-37-,49-46-
HMDB44453	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,35,38,44,47,56H,4-15,17-18,20-24,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,38-35-,47-44-
HMDB44452	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,35,38,44,47,56H,4-15,17-18,21-22,24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,38-35-,47-44-
HMDB44451	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,28-29,33,36,42,45,54H,4-15,17-18,21-22,24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,23-20-,26-25-,29-28-,36-33-,45-42-
HMDB07952	PC(15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h20-21,43H,6-19,22-42H2,1-5H3/b21-20-/t43-/m1/s1
HMDB36869	Mutatochrome	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1	InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+
HMDB36868	Flavoxanthin	C\C(\C=C/C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1	InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11-,17-13-,19-14+,22-21+,28-15+,29-16+,30-18-,31-20-
HMDB07951	PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,28,30,41H,6-7,9,11-13,15,17-19,22,25-27,29,31-40H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,30-28-/t41-/m1/s1
HMDB36863	Anhydrocinnzeylanol	CC(C)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O	InChI=1S/C20H30O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,15,22-25H,6-9H2,1-5H3
HMDB36862	Ginkgolide A	CC1C(=O)OC2CC34C5CC(C(C)(C)C)C33C(O)C(=O)OC3OC4(C(=O)O5)C12O	InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3
HMDB36861	Ginkgolide B	CC1C(=O)OC2C(O)C34C5CC(C(C)(C)C)C33C(O)C(=O)OC3OC4(C(=O)O5)C12O	InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3
HMDB36860	Ginkgolide C	CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C43C(C5O)C(C)(C)C)C12O	InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3
HMDB36867	Marasmal	CC1(C)C(O)CC(O)C23C(C(O)OC2=O)C(C=O)=CCC13	InChI=1S/C15H20O6/c1-14(2)8-4-3-7(6-16)11-12(19)21-13(20)15(8,11)10(18)5-9(14)17/h3,6,8-12,17-19H,4-5H2,1-2H3
HMDB36866	7-Drimene-11,12,14-triol	CC1(CO)CCCC2(C)C(CO)C(CO)=CCC12	InChI=1S/C15H26O3/c1-14(10-18)6-3-7-15(2)12(9-17)11(8-16)4-5-13(14)15/h4,12-13,16-18H,3,5-10H2,1-2H3
HMDB36865	Lepidiumterpenyl ester	CC(CCCC(C)CCC(O)=O)CCCC(C)C(=O)OCCCCCC=C	InChI=1S/C23H42O4/c1-5-6-7-8-9-18-27-23(26)21(4)15-11-14-19(2)12-10-13-20(3)16-17-22(24)25/h5,19-21H,1,6-18H2,2-4H3,(H,24,25)
HMDB36864	Anhydrocinnzeylanine	CC(C)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(OC(C)=O)C(C)CCC12O	InChI=1S/C22H32O7/c1-11(2)15-9-20(26)18(6)10-16(24)29-22(21(20,27)13(15)4)17(28-14(5)23)12(3)7-8-19(18,22)25/h11-12,17,25-27H,7-10H2,1-6H3
HMDB39518	Soyasaponin IV	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C41H66O13/c1-36(2)16-21-20-8-9-24-38(4)12-11-26(39(5,19-42)23(38)10-13-41(24,7)40(20,6)15-14-37(21,3)25(44)17-36)52-35-32(29(47)28(46)31(53-35)33(49)50)54-34-30(48)27(45)22(43)18-51-34/h8,21-32,34-35,42-48H,9-19H2,1-7H3,(H,49,50)
HMDB39519	Phaseoluside A	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C48H80O18/c1-43(2)16-23-22-8-9-28-45(4)12-11-30(46(5,21-52)27(45)10-13-48(28,7)47(22,6)15-14-44(23,3)29(53)17-43)64-42-37(60)39(66-41-36(59)34(57)32(55)25(19-50)62-41)38(26(20-51)63-42)65-40-35(58)33(56)31(54)24(18-49)61-40/h8,23-42,49-60H,9-21H2,1-7H3
HMDB02817	N-Acetylglucosamine 6-phosphate	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
HMDB49762	TG(18:1(9Z)/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25-26,28,30,56H,4-24,27,29,31-55H2,1-3H3/b28-25-,30-26-
HMDB39512	Periandrin III	CC1(C)C(CCC2(CO)C1CCC1(C)C2CCC2C3=CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	InChI=1S/C42H64O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h17,19,21-31,34-35,43-48H,7-16,18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)
HMDB39510	7-Hydroxy-2',3',4'-trimethoxyisoflavan	COC1=C(OC)C(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1	InChI=1S/C18H20O5/c1-20-15-7-6-14(17(21-2)18(15)22-3)12-8-11-4-5-13(19)9-16(11)23-10-12/h4-7,9,12,19H,8,10H2,1-3H3
HMDB39511	Benzoyl meso-tartaric acid	OC(C(OC(=O)C1=CC=CC=C1)C(O)=O)C(O)=O	InChI=1S/C11H10O7/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8,12H,(H,13,14)(H,15,16)
HMDB39516	4'-Dihydroabscisic acid	C\C(\C=C\C1(O)C(C)=CC(O)CC1(C)C)=C/C(O)=O	InChI=1S/C15H22O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,12,16,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+
HMDB39517	Soyasaponin V	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)
HMDB39514	Graecunin G	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H72O17/c1-19-8-13-45(56-17-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)58-40-37(53)35(51)33(49)29(60-40)18-55-42-39(36(52)31(47)21(3)57-42)61-41-38(54)34(50)32(48)28(16-46)59-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3
HMDB39515	Graecunin E	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(C)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C51H82O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-45-40(61)37(58)35(56)31(70-45)19-64-48-44(38(59)33(54)22(3)66-48)72-47-42(63)39(60)43(30(17-53)69-47)71-46-41(62)36(57)34(55)29(16-52)68-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3
HMDB34591	Lansamide 3	CN1C(O)C(C(C(O)C1=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C18H19NO3/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3
HMDB34590	Shoyuflavone C	OC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C19H14O11/c20-8-3-1-7(2-4-8)9-6-29-16-12(13(9)22)10(21)5-11(14(16)23)30-17(19(27)28)15(24)18(25)26/h1-6,15,17,20-21,23-24H,(H,25,26)(H,27,28)
HMDB34593	(S)-Codamine	COC1=CC=C(CC2N(C)CCC3=C2C=C(O)C(OC)=C3)C=C1OC	InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3
HMDB34592	Lansamide 4	COC1C(C(C(O)C(=O)N1C)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C19H21NO3/c1-20-18(22)17(21)15(13-9-5-3-6-10-13)16(19(20)23-2)14-11-7-4-8-12-14/h3-12,15-17,19,21H,1-2H3
HMDB34595	Aginoside progenin	CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C39H64O15/c1-16-5-8-39(49-15-16)17(2)28-25(54-39)10-20-18-9-22(42)21-11-24(23(43)12-38(21,4)19(18)6-7-37(20,28)3)50-35-33(48)31(46)34(27(14-41)52-35)53-36-32(47)30(45)29(44)26(13-40)51-36/h16-36,40-48H,5-15H2,1-4H3
HMDB34594	Sarsasapogenin 3-O-[beta-D-Glucopyranosyl-(1-&gt;2)-[beta-D-xylopyranosyl-(1-&gt;4)]-beta-D-glucopyranoside]	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-35(52)33(50)32(49)28(15-45)57-40)36(53)37(29(16-46)58-41)59-39-34(51)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3
HMDB34597	Hebevinoside VII	CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O	InChI=1S/C45H72O14/c1-22(2)12-11-13-23(3)33-30(57-41-37(53)35(51)38(56-25(5)47)31(58-41)21-54-24(4)46)19-45(10)39-28(48)18-27-26(43(39,8)16-17-44(33,45)9)14-15-32(42(27,6)7)59-40-36(52)34(50)29(49)20-55-40/h12,18,23,26,28-41,48-53H,11,13-17,19-21H2,1-10H3
HMDB02818	Alloxan	O=C1NC(=O)C(=O)C(=O)N1	InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
HMDB34599	Hebevinoside IX	CC(CCC=C(C)C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C	InChI=1S/C35H58O7/c1-19(2)10-9-11-20(3)27-24(37)17-35(8)30-23(36)16-22-21(33(30,6)14-15-34(27,35)7)12-13-26(32(22,4)5)42-31-29(40)28(39)25(38)18-41-31/h10,16,20-21,23-31,36-40H,9,11-15,17-18H2,1-8H3
HMDB34598	Hebevinoside VIII	CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O	InChI=1S/C47H74O15/c1-23(2)13-12-14-24(3)35-31(60-43-39(55)37(53)40(59-27(6)50)33(61-43)22-56-25(4)48)20-47(11)41-30(51)19-29-28(45(41,9)17-18-46(35,47)10)15-16-34(44(29,7)8)62-42-38(54)36(52)32(21-57-42)58-26(5)49/h13,19,24,28,30-43,51-55H,12,14-18,20-22H2,1-11H3
HMDB49763	TG(18:1(9Z)/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25-26,28,30,32,34,40,43,56H,4-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b28-25-,30-26-,34-32-,43-40-
HMDB42185	TG(14:0/20:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB42437	TG(14:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-29,31,33,36-37,40,52H,4-16,18-19,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB42691	TG(14:0/22:4(7Z,10Z,13Z,16Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h16,19,23-24,26-27,29,32,50H,4-15,17-18,20-22,25,28,30-31,33-49H2,1-3H3/b19-16-,24-23-,27-26-,32-29-
HMDB42436	TG(14:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,29-30,32,38,41,53H,4-19,21-22,25,28,31,33-37,39-40,42-52H2,1-3H3/b23-20-,26-24-,29-27-,32-30-,41-38-
HMDB42690	TG(14:0/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,55H,4-15,17-18,20-23,25,27-54H2,1-3H3/b19-16-,26-24-
HMDB42435	TG(14:0/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h24-27,35,37,43,46,58H,4-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b26-24-,27-25-,37-35-,46-43-
HMDB49760	TG(18:1(9Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,53H,4-25,27,29-52H2,1-3H3/b28-26-
HMDB42434	TG(14:0/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h24-27,33,35,41,44,56H,4-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b26-24-,27-25-,35-33-,44-41-
HMDB42433	TG(14:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30-33,38-39,41-42,54H,4-23,28-29,34-37,40,43-53H2,1-3H3/b26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42432	TG(14:0/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,31,33,39,42,54H,4-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b26-24-,27-25-,33-31-,42-39-
HMDB42431	TG(14:0/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h24-26,28-29,31,37,40,52H,4-23,27,30,32-36,38-39,41-51H2,1-3H3/b26-24-,28-25-,31-29-,40-37-
HMDB42430	TG(14:0/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,29,31,37,40,52H,4-19,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b23-20-,26-24-,31-29-,40-37-
HMDB49761	TG(18:1(9Z)/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,54H,4-24,27,30-53H2,1-3H3/b28-25-,29-26-
HMDB50040	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,39,55H,4-17,19-20,22-25,28,31-35,37-38,40-54H2,1-3H3/b21-18-,29-26-,30-27-,39-36-
HMDB49766	TG(18:1(9Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,26,28-29,31,55H,4-18,20-21,23-25,27,30,32-54H2,1-3H3/b22-19-,29-26-,31-28-
HMDB13593	1,4-Dithiothreitol	O[C@@H](CS)[C@@H](O)CS	InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
HMDB46604	TG(22:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,46-43-,55-52-
HMDB46509	TG(22:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24,26,31,56H,4-20,22-23,25,27-30,32-55H2,1-3H3/b24-21-,31-26-
HMDB59001	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,46,48-50,52,54,57,60-62,64,66,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB46605	TG(22:0/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,63H,4-25,27-28,30-62H2,1-3H3/b29-26-
HMDB46508	TG(22:0/18:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,25,30,54H,4-14,16-17,19-24,26-29,31-53H2,1-3H3/b18-15-,30-25-
HMDB46606	TG(22:0/24:1(15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h25,28,68H,4-24,26-27,29-67H2,1-3H3/b28-25-
HMDB46607	TG(22:0/24:1(15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,70H,4-25,27-28,30-69H2,1-3H3/b29-26-
HMDB46600	TG(22:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,42,45,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,45-42-
HMDB49767	TG(18:1(9Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,54H,4-15,17-18,20-24,27,30-33,35-36,38-53H2,1-3H3/b19-16-,28-25-,29-26-,37-34-
HMDB34929	3beta-Tirucalla-7,24-dien-3-ol	CC(CCC=C(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3
HMDB37020	p-Menthan-1-ol	CC(C)C1CCC(C)(O)CC1	InChI=1S/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3
HMDB37021	trans-p-Menth-2-ene-1,4-diol	CC(C)C1(O)CCC(C)(O)C=C1	InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h4,6,8,11-12H,5,7H2,1-3H3
HMDB37022	Cichoralexin	CC1C2CCC(C)C3C(C2OC1=O)C(C)=CC3=O	InChI=1S/C15H20O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6-7,9-10,12-14H,4-5H2,1-3H3
HMDB37023	2-Hydroxy-2,6,6-trimethylcyclohexanone	CC1(C)CCCC(C)(O)C1=O	InChI=1S/C9H16O2/c1-8(2)5-4-6-9(3,11)7(8)10/h11H,4-6H2,1-3H3
HMDB37024	4-Acetyl-1,4-dimethyl-1-cyclohexene	CC(=O)C1(C)CCC(C)=CC1	InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3
HMDB37025	Hop ether	CC1(C)OCC2C1CCC2=C	InChI=1S/C10H16O/c1-7-4-5-9-8(7)6-11-10(9,2)3/h8-9H,1,4-6H2,2-3H3
HMDB37026	3,4-Dimethyl-1,2-cyclopentanedione	CC1CC(=O)C(=O)C1C	InChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4-5H,3H2,1-2H3
HMDB37027	3,5-Dimethyl-1,2-cyclopentanedione	CC1CC(C)C(=O)C1=O	InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
HMDB37028	Deoxyloganic acid	CC1CCC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O	InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)
HMDB37029	gamma1-Cadinene	CC(C)C1CC=C(C)C2CCC(=C)CC12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,10,13-15H,3,5,7-9H2,1-2,4H3
HMDB46603	TG(22:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,43,46,66H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,46-43-
HMDB50119	TG(18:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,18,21-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-
HMDB08479	PC(20:4(8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,30,48H,6-8,10,12-14,16,18-20,22,24-27,29,31-47H2,1-5H3/b11-9-,17-15-,23-21-,30-28-/t48-/m1/s1
HMDB08478	PC(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,33,35,46H,6-7,12-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
HMDB50118	TG(18:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32,34,36,40,43,62H,4-6,8-9,11-15,18,21-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,43-40-
HMDB08471	PC(20:4(8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,46H,6-7,9,11-13,15,17-19,21,23-25,27,29-45H2,1-5H3/b10-8-,16-14-,22-20-,28-26-/t46-/m1/s1
HMDB08470	PC(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29,31,44H,6-7,12-13,18-19,23,27-28,30,32-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-/t44-/m1/s1
HMDB08473	PC(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,46H,6-7,9,11-13,18-19,24-25,27,29-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-/t46-/m1/s1
HMDB08472	PC(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,46H,6-7,9,11-13,15,17-19,24-25,27,29-45H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-/t46-/m1/s1
HMDB08475	PC(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,46H,6-7,9,11-13,18-19,24-25,30-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t46-/m1/s1
HMDB08474	PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26-29,33,35,46H,6-7,9,11-13,15,17-19,24-25,30-32,34,36-45H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
HMDB08477	PC(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,46H,6-7,12-13,18-19,24-25,30-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t46-/m1/s1
HMDB08476	PC(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,33,35,46H,6-7,9,11-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
HMDB52847	TG(18:3(6Z,9Z,12Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,33,35,52H,4-15,18,21-23,27,30,32,34,36-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,35-33-
HMDB52846	TG(18:3(6Z,9Z,12Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h13,16-17,20,22,24-25,27,32,34,51H,4-12,14-15,18-19,21,23,26,28-31,33,35-50H2,1-3H3/b16-13-,20-17-,24-22-,27-25-,34-32-
HMDB52845	TG(18:3(6Z,9Z,12Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31-34,50H,4-15,18,21-23,28-30,35-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-,34-32-
HMDB52844	TG(18:2(9Z,12Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,33-32-,34-29-,41-38-,50-47-
HMDB52843	TG(18:2(9Z,12Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-34,38,41,60H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,33-32-,34-29-,41-38-
HMDB52842	TG(18:2(9Z,12Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,36,42,45,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,36-33-,45-42-
HMDB52841	TG(18:2(9Z,12Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,36,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,36-33-
HMDB52840	TG(18:2(9Z,12Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h9,12,18-19,21-22,27-28,30-31,36,39,56H,4-8,10-11,13-17,20,23-26,29,32-35,37-38,40-55H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,31-28-,39-36-
HMDB49765	TG(18:1(9Z)/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h25-26,28,34,60H,4-24,27,29-33,35-59H2,1-3H3/b28-25-,34-26-
HMDB58569	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-35,37-38,41,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27,29-31,36,39-40,42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,37-33-,38-34-,41-35-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB50111	TG(18:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,36,62H,4-15,18,21-24,30-35,37-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-27-
HMDB52849	TG(18:3(6Z,9Z,12Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,35,37,54H,4-15,18,21-23,27-29,31-34,36,38-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-,37-35-
HMDB52848	TG(18:3(6Z,9Z,12Z)/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31,33,35-36,39,52H,4-15,18,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB50110	TG(18:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34-35,38,44,47,60H,4-15,18,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB41372	Alectrol	CC1=CC(O\C=C2\C3C=C4CCCC(C)(C)C4(O)C3OC2=O)OC1=O	InChI=1S/C19H22O6/c1-10-7-14(24-16(10)20)23-9-13-12-8-11-5-4-6-18(2,3)19(11,22)15(12)25-17(13)21/h7-9,12,14-15,22H,4-6H2,1-3H3/b13-9-
HMDB58298	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB58299	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,46-47,50-52,56,58-59,62-64,68,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB58290	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-44,46,51-52,55-56,63-64,67-68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,45,47-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB58291	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,51-52,55-56,63,67,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-50,53-54,57-62,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,67-63-/t83?,84-,85-/m1/s1
HMDB58292	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,51-52,55-56,63-64,67-68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB58293	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-38,40-41,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58294	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58295	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58296	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,52-53,56-57,64-65,68-69,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-51,54-55,58-63,66-67,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-,68-64-,69-65-/t84?,85-,86-/m1/s1
HMDB58297	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB52599	TG(18:2(9Z,12Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,33-34,59H,4-8,10-11,13-17,19,22,24,26,30-32,35-58H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-,34-29-
HMDB52598	TG(18:2(9Z,12Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33,35,37,41,44,50,53,63H,4-15,17-18,20,22-23,27,31-32,34,36,38-40,42-43,45-49,51-52,54-62H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,37-30-,44-41-,53-50-
HMDB52595	TG(18:2(9Z,12Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35-36,39,45,48,61H,4-16,18-19,22-23,27,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-30-,39-36-,48-45-
HMDB52594	TG(18:2(9Z,12Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35-36,39,61H,4-16,18-19,22-23,27,31-34,37-38,40-60H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-30-,39-36-
HMDB52597	TG(18:2(9Z,12Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33,35,37,41,44,63H,4-15,17-18,20,22-23,27,31-32,34,36,38-40,42-43,45-62H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,37-30-,44-41-
HMDB52596	TG(18:2(9Z,12Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,37,63H,4-15,17-18,20,22-23,27,31-36,38-62H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-30-
HMDB52591	TG(18:2(9Z,12Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h20-21,23-25,28-30,34-35,60H,4-19,22,26-27,31-33,36-59H2,1-3H3/b23-20-,24-21-,28-25-,34-29-,35-30-
HMDB52590	TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32-33,36,42,45,58H,4-19,21-22,24,26-27,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b23-20-,28-25-,32-29-,36-33-,45-42-
HMDB52593	TG(18:2(9Z,12Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14,17,21,23-26,28,30,35,60H,4-13,15-16,18-20,22,27,29,31-34,36-59H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,35-30-
HMDB52592	TG(18:2(9Z,12Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,33-34,39,42,59H,4-17,19,22,24,26,30-32,35-38,40-41,43-58H2,1-3H3/b21-18-,23-20-,28-25-,33-27-,34-29-,42-39-
HMDB02208	Cholestane-3,7,12,24,25-pentol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC[C@H](O)C(C)(C)O	InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
HMDB02209	Equol	OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2	InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1
HMDB49641	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,39,42,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,42-39-
HMDB48411	TG(14:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-
HMDB02202	Glutathionylcobalamin	[N]=12C3=C(C)C4=[N]5C(C(CC(N)=O)(C)C4CCC(N)=O)(C)C4N6C7=C(C8=[N](C(=CC=1C(C3(C)CC(N)=O)CCC(N)=O)C(C)(C)C8CCC(N)=O)[Co+3]256(SCC(NC(CCC(C(=O)O)N)=O)C(=O)NCC(O)=O)[N]1=CN(C2C(C(C(CO)O2)OP([O-])(OC(C)CNC(=O)CCC7(C)C4CC(N)=O)=O)O)C2=CC(=C(C=C12)C)C)C	InChI=1S/C62H90N13O14P.C10H17N3O6S.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/q;;+5/p-3
HMDB02203	3-Hydroxycapric acid	CCCCCCCC(O)CC(O)=O	InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
HMDB15499	Almitrine	FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1	InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)
HMDB15498	Aprindine	CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1	InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3
HMDB34838	Lansiumarin C	CC(=C)C(O)CC\C(C)=C\COC1=C2OC=CC2=CC2=C1OC(=O)C=C2	InChI=1S/C21H22O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12,17,22H,1,4,6,10H2,2-3H3/b14-8+
HMDB34839	2',3'-Dihydro-phytomenadione	CC(C)CCCC(C)CCCC(C)CCCC(C)CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O	InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-19,22-25H,9-17,20-21H2,1-6H3
HMDB15491	Nitroxoline	OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O	InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
HMDB15490	Paromomycin	NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O	InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
HMDB15493	Aminophenazone	CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1	InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
HMDB34831	Orthoperiodic acid	O[I](O)(O)(O)(O)=O	InChI=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)
HMDB15495	Ajmaline	CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O	InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1
HMDB34837	Lansiumarin A	C\C(CCC(=O)C(C)=C)=C/COC1=C2OC=CC2=CC2=C1OC(=O)C=C2	InChI=1S/C21H20O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12H,1,4,6,10H2,2-3H3/b14-8+
HMDB15497	Oxybenzone	COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1	InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
HMDB15496	Amrinone	NC1=CC(=CNC1=O)C1=CC=NC=C1	InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
HMDB42963	TG(15:0/14:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB59089	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-46-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-45-40-36-32-28-24-20-16-12-8-4)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,42,46-47,49-54,56,59,61-66,68,85-87,92H,5-20,29-32,41,43-45,48,55,57-58,60,67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,46-42-,51-47-,53-49-,54-50-,56-52-,63-59-,65-61-,66-62-,68-64-/t85?,86-,87-/m1/s1
HMDB12151	2-Keto-6-aminocaproate	NCCCCC(=O)C(O)=O	InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)
HMDB12150	2-Keto-6-acetamidocaproate	CC(=O)NCCCCC(=O)C(O)=O	InChI=1S/C8H13NO4/c1-6(10)9-5-3-2-4-7(11)8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)
HMDB12153	3,4-Dihydroxybenzylamine	NCC1=CC=C(O)C(O)=C1	InChI=1S/C7H9NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4,8H2
HMDB12152	2-O-(6-Phospho-alpha-mannosyl)-D-glycerate	OC[C@@H](O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O	InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7+,9+/m1/s1
HMDB12155	3-Hydroxypimelyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCC(O)=O	InChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t15?,16-,21-,22-,23?,27-/m1/s1
HMDB12154	3-Dehydrocarnitine	C[N+](C)(C)CC(=O)CC([O-])=O	InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3
HMDB12157	3-Methyl-2-butenal	CC(C)=CC=O	InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
HMDB12156	3-Isopropylmalate	CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O	InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1
HMDB12159	4,4-Dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol	CC(C)CCCC(C)C1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3	InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h19-22,25-26,32H,8-18H2,1-7H3/t21?,22?,25?,26-,28+,29+,30+/m0/s1
HMDB12158	3-Oxopimelyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(O)=O	InChI=1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23?,27-/m1/s1
HMDB59084	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,41,44,46,48-50,52,54,57,60-62,64,66,83-85,90H,5-20,24,28-32,36,40,42-43,45,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB53071	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-32,34,36,38-39,41,56H,4-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-
HMDB41388	Valeracetate	CC1CCC2C1CC1CCC2(C)OC1(C)COC(C)=O	InChI=1S/C17H28O3/c1-11-5-6-15-14(11)9-13-7-8-16(15,3)20-17(13,4)10-19-12(2)18/h11,13-15H,5-10H2,1-4H3
HMDB53073	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-21,25-28,32-33,38,40-41,43,58H,4-15,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-
HMDB53072	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-32,34,36,38-41,43,56H,4-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB53075	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-33,36,38-41,43,45,48,58H,4-15,22-24,29,34-35,37,42,44,46-47,49-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-,48-45-
HMDB53074	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-33,36,38-41,43,58H,4-15,22-24,29,34-35,37,42,44-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-
HMDB53077	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,54H,4-6,8-9,11-15,22-24,31-33,40-53H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB41389	Methyl 2-propenyl disulfide	CSSCC=C	InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3
HMDB53079	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-32,34,36,38-41,43,56H,4-6,8-9,11-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB42969	TG(15:0/14:0/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h24-25,47H,4-23,26-46H2,1-3H3/b25-24-
HMDB59083	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)78-98-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,40,43-44,46,48-50,52,55,58-60,62,64,81-83,88H,5-20,24,28-32,39,41-42,45,47,51,53-54,56-57,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB59080	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,42,46-49,51-54,58-61,63-66,70,85-87,92H,5-20,29-32,41,43-45,50,55-57,62,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,46-42-,51-47-,52-48-,53-49-,58-54-,63-59-,64-60-,65-61-,70-66-/t85?,86-,87-/m1/s1
HMDB59081	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,42,46-49,51-54,58-61,63-65,85-87,92H,5-8,10-12,14-20,29-32,41,43-45,50,55-57,62,66-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,46-42-,51-47-,52-48-,53-49-,58-54-,63-59-,64-60-,65-61-/t85?,86-,87-/m1/s1
HMDB05973	Dimethyltryptamine	CN(C)CCC1=CNC2=CC=CC=C12	InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
HMDB05972	Tetrahydrodeoxycortisol	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1
HMDB05971	Diketogulonic acid	OC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O	InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1
HMDB48410	TG(14:1(9Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,37,40,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,40-37-
HMDB42182	TG(14:0/20:0/15:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB41384	3',4',5,7-Tetrahydroxyflavone; 3'-O-(4-O-Acetyl-b-D-glucuronopyranoside)	CC(=O)OC1C(O)C(O)C(OC2=CC(=CC=C2O)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC1C(O)=O	InChI=1S/C23H20O13/c1-8(24)33-20-18(29)19(30)23(36-21(20)22(31)32)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)
HMDB41385	6''-Acetylliquiritin	CC(=O)OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(O)C(O)C1O	InChI=1S/C23H24O10/c1-11(24)30-10-19-20(27)21(28)22(29)23(33-19)31-14-5-2-12(3-6-14)17-9-16(26)15-7-4-13(25)8-18(15)32-17/h2-8,17,19-23,25,27-29H,9-10H2,1H3
HMDB49647	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,31-32,38,41,59H,4-6,8-9,11-13,15,18,20,22,27,29-30,33-37,39-40,42-58H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,41-38-
HMDB06402	3-Oxohexadecanoyl-CoA	CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32?,36-/m1/s1
HMDB06403	Pseudoecgonyl-CoA	CN1C2CCC1[C@@H]([C@@H](O)C2)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C30H49N8O18P3S/c1-30(2,24(42)27(43)33-7-6-19(40)32-8-9-60-29(44)20-16-5-4-15(37(16)3)10-17(20)39)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(41)28(54-18)38-14-36-21-25(31)34-13-35-26(21)38/h13-18,20,22-24,28,39,41-42H,4-12H2,1-3H3,(H,32,40)(H,33,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t15?,16?,17-,18+,20-,22+,23+,24?,28+/m0/s1
HMDB11714	Vanilpyruvic acid	COC1=C(O)C=CC(CC(=O)C(O)=O)=C1	InChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
HMDB11712	TG(15:0/20:0/14:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-/t49-/m0/s1
HMDB11713	TG(15:0/20:1(11Z)/14:0)[iso6]	[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h24-25,49H,4-23,26-48H2,1-3H3/b25-24-/t49-/m0/s1
HMDB06404	Decanoyl-CoA (n-C10:0CoA)	CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26?,30-/m1/s1
HMDB11711	TG(15:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,51H,4-15,18,21-24,29-50H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t51-/m1/s1
HMDB55020	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,49,52,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB55021	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-16,19,22-24,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-
HMDB06408	4-Hydroxy tolbutamide	CCCCNC(=O)NS(=O)(=O)C1=CC=C(CO)C=C1	InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)
HMDB06409	Tyramine-O-sulfate	NCCC1=CC=C(OS(O)(=O)=O)C=C1	InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)
HMDB55024	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-
HMDB55025	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB11718	4-Hydroxybenzaldehyde	OC1=CC=C(C=O)C=C1	InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
HMDB11719	Homovanillic acid sulfate	COC1=CC(CC(O)=O)=CC=C1OS(O)(=O)=O	InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)
HMDB52036	TG(24:1(15Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-
HMDB52037	TG(24:1(15Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,46,49,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,49-46-
HMDB52034	TG(24:1(15Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,34,36,41,44,58H,4-14,16,19,21-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,36-34-,44-41-
HMDB52035	TG(24:1(15Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,60H,4-14,16,19,21-23,28-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-
HMDB52032	TG(24:1(15Z)/14:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,57H,4-13,16,19-22,27-56H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB52033	TG(24:1(15Z)/14:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,34,36,58H,4-14,16,19,21-23,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,36-34-
HMDB52030	TG(24:1(15Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,33,57H,4-14,16-17,19,21-22,25,28-32,34-56H2,1-3H3/b18-15-,23-20-,26-24-,33-27-
HMDB52031	TG(24:1(15Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,32,37,39,56H,4-14,16,19,21-23,27-31,33-36,38,40-55H2,1-3H3/b18-15-,20-17-,26-24-,32-25-,39-37-
HMDB52038	TG(24:1(15Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-
HMDB52039	TG(24:1(15Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,32,37,39,56H,4-7,9-10,12-14,16,19,21-23,27-31,33-36,38,40-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,32-25-,39-37-
HMDB57778	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,44,48,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-/t75?,76-,77-/m1/s1
HMDB57779	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,46,50,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-/t77?,78-,79-/m1/s1
HMDB57776	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,36-37,40-43,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35,38-39,44-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57777	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-/t81?,82-,83-/m1/s1
HMDB57774	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB57775	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB57772	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,51-52,59,63,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49-50,53-58,60-62,64-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-/t79?,80-,81-/m1/s1
HMDB57773	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB57770	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-8,10,12,14,16-20,24,29-31,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57771	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,51-52,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49-50,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-/t80-,81-/m1/s1
HMDB10449	TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,50H,4-15,17-18,20-23,28-49H2,1-3H3/b19-16-,26-24-,27-25-/t50-/m0/s1
HMDB10448	TG(18:1(9Z)/14:0/18:1(9Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,50H,4-23,28-49H2,1-3H3/b26-24-,27-25-
HMDB10441	TG(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,33,38,41,54H,4-15,17-18,21-22,24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,27-25-,33-30-,41-38-/t54-/m1/s1
HMDB10440	TG(18:1(11Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,52H,4-6,8-9,11-15,17-18,21-22,24,26,28-51H2,1-3H3/b10-7-,19-16-,23-20-,27-25-/t52-/m0/s1
HMDB10443	TG(18:1(11Z)/16:1(9Z)/18:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,26,28,52H,4-18,20,23,25,27,29-51H2,1-3H3/b22-19-,24-21-,28-26-/t52-/m1/s1
HMDB10442	TG(18:1(11Z)/16:1(9Z)/18:1(11Z))[iso3]	[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19-24,52H,4-18,25-51H2,1-3H3/b22-19-,23-20-,24-21-
HMDB10445	TG(18:1(11Z)/18:0/18:1(11Z))[iso3]	[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,54H,4-18,21,24-53H2,1-3H3/b22-19-,23-20-
HMDB10444	TG(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,52H,4-15,17-18,22,26,28-51H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t52-/m0/s1
HMDB10447	TG(18:1(11Z)/18:0/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,54H,4-15,17-18,21-22,24,26-27,29-53H2,1-3H3/b19-16-,23-20-,28-25-/t54-/m0/s1
HMDB10446	TG(18:1(11Z)/18:0/18:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,26,29,54H,4-18,20-21,23-25,27-28,30-53H2,1-3H3/b22-19-,29-26-/t54-/m1/s1
HMDB49367	TG(18:1(11Z)/24:1(15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,35,60H,4-19,21-22,24,26,29-34,36-59H2,1-3H3/b23-20-,28-25-,35-27-
HMDB35974	(S)-Spirobrassinin	CSC1=NCC2(S1)C(=O)NC1=C2C=CC=C1	InChI=1S/C11H10N2OS2/c1-15-10-12-6-11(16-10)7-4-2-3-5-8(7)13-9(11)14/h2-5H,6H2,1H3,(H,13,14)
HMDB35975	Lucidenic acid L	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C27H38O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-14,16-17,23,29,34H,7-12H2,1-6H3,(H,31,32)
HMDB35976	Lucidenic acid I	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	InChI=1S/C27H38O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-15,18-19,28,31H,6-13H2,1-5H3,(H,33,34)
HMDB35977	Ganodermanontriol	CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3
HMDB35970	(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione	CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1	InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h8,10,17,21-23,30,32H,7,9,11-16H2,1-6H3
HMDB35971	(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione	CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)C=CC(=O)C(C)(CO)C2CC4)O1	InChI=1S/C29H40O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h11-12,17,21-22,30H,7-10,13-16H2,1-6H3
HMDB35972	Ambonic acid	CC(CCC(=C)C(C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C	InChI=1S/C31H48O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-24H,1,8-18H2,2-7H3,(H,33,34)
HMDB35973	Lucidenic acid M	CC(CCC(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C27H42O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-20,28,30-31H,7-13H2,1-6H3,(H,32,33)
HMDB35978	O-Methylganoderic acid O	COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)C(CC(C(C)C(C\C=C(/C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O)OC(C)=O	InChI=1S/C37H56O9/c1-20(33(41)42)12-13-27(44-22(3)38)21(2)26-18-31(46-24(5)40)37(10)32-25(14-17-36(26,37)9)35(8)16-15-30(45-23(4)39)34(6,7)29(35)19-28(32)43-11/h12,21,26-31H,13-19H2,1-11H3,(H,41,42)/b20-12+
HMDB35979	Cyclobranol	CC(CCC(C)=C(C)C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3
HMDB56821	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-37,40-44,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB56820	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB56823	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,63-64,68,83-85,90H,5-8,10-12,14-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-62,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB56822	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB41739	Genistein 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C(=O)C(=C([H])O3)C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
HMDB41738	Genistein 5-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(O[H])=C([H])C3=C2C(=O)C(=C([H])O3)C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-12-5-10(23)6-13(14(12)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
HMDB53859	TG(20:3n6/20:2n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,36,38,61H,4-14,21-23,30-35,37,39-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,38-36-
HMDB53858	TG(20:3n6/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34-37,42,45,59H,4-14,21-23,30-33,38-41,43-44,46-58H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-
HMDB41735	Formononetin 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C3C(=O)C(=C([H])OC3=C2[H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)14-9-30-15-8-12(6-7-13(15)16(14)23)31-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1
HMDB41734	Feruloyl C1-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C16H18O10/c1-24-9-6-7(2-4-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16-17,19-21H,1H3,(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1
HMDB41737	Genistein 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C2=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H18O11/c22-9-5-12(23)14-13(6-9)30-7-11(15(14)24)8-1-3-10(4-2-8)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
HMDB41736	Genistein 4',7-O-diglucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])OC3=C(C(O[H])=C([H])C(O[C@]4([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])=C3[H])C2=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1
HMDB41731	Equol 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2[H])[C@@]2([H])C([H])([H])OC3=C([H])C(O[H])=C([H])C([H])=C3C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H22O9/c22-13-4-1-11-7-12(9-28-15(11)8-13)10-2-5-14(6-3-10)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/m1/s1
HMDB41730	(-)-Epigallocatechin 3-gallate 7-glucoside 4&quot;-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C(O[H])C([H])=C(C([H])=C2O[H])C(=O)O[C@]2([H])C([H])([H])C3=C(O[H])C([H])=C(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C([H])=C3O[C@]2([H])C2=C([H])C(O[H])=C(O[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C34H36O22/c35-8-20-22(42)23(43)26(46)33(54-20)51-11-5-13(36)12-7-19(28(52-18(12)6-11)9-1-14(37)21(41)15(38)2-9)53-32(50)10-3-16(39)29(17(40)4-10)55-34-27(47)24(44)25(45)30(56-34)31(48)49/h1-6,19-20,22-28,30,33-47H,7-8H2,(H,48,49)/t19-,20-,22-,23+,24+,25+,26-,27-,28-,30+,33-,34-/m1/s1
HMDB41733	Ferulic acid 4-O-glucuronide	[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(O[C@]2([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])=C1[H]	InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1
HMDB41732	Equol 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C3C(OC([H])([H])[C@]([H])(C4=C([H])C([H])=C(O[H])C([H])=C4[H])C3([H])[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H22O9/c22-13-4-1-10(2-5-13)12-7-11-3-6-14(8-15(11)28-9-12)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/m1/s1
HMDB07469	DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-4,6,8-10,12,14-16,21,23,26,29,32,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m0/s1
HMDB07468	DG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,6,8-10,12,14-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1
HMDB49508	TG(18:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,35,38,60H,4-7,9-10,12-15,18,22-23,27,30-34,36-37,39-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,38-35-
HMDB49509	TG(18:1(11Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,35,38,44,47,60H,4-7,9-10,12-15,18,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,38-35-,47-44-
HMDB07463	DG(20:3(5Z,8Z,11Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,25,27,31,33,43,46H,3-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b20-18-,27-25-,33-31-/t43-/m0/s1
HMDB07462	DG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,23-26,29-32,41,44H,3-5,7,9-11,13,15-16,21-22,27-28,33-40H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB07461	DG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,23-26,29,31,41,44H,3-5,7,9-11,13,15-16,21-22,27-28,30,32-40H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1
HMDB07460	DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29-32,41,44H,3-11,13,15-16,21-22,27-28,33-40H2,1-2H3/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB07467	DG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-10,12,14-16,21,23,26,29,32,35,37-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m0/s1
HMDB07466	DG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33,43,46H,3-10,12,14-16,21,23,26,29,32,34-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t43-/m0/s1
HMDB07465	DG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,25,27,31,33,43,46H,3-10,12,14-16,21-24,26,28-30,32,34-42H2,1-2H3/b13-11-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1
HMDB07464	DG(20:3(5Z,8Z,11Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,25,27,31,33,43,46H,3-16,21-24,26,28-30,32,34-42H2,1-2H3/b19-17-,20-18-,27-25-,33-31-/t43-/m0/s1
HMDB54081	TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB54080	TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB54083	TG(20:4(5Z,8Z,11Z,14Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,40,42,45-46,49,62H,4-8,10-11,13-16,19,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB54082	TG(20:4(5Z,8Z,11Z,14Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,40,46,49,62H,4-8,10-11,13-16,19,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,49-46-
HMDB54085	TG(20:4(5Z,8Z,11Z,14Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-7,9-10,12-16,19,22-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB12965	Gonadotropin releasing hormone	CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)C(CC1=CN=CN1)NC(=O)C(N)CCC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O	InChI=1S/C55H77N17O14/c1-29(2)19-38(49(81)67-37(9-5-17-61-55(58)59)54(86)72-18-6-10-43(72)53(85)63-25-44(57)75)66-45(76)26-64-48(80)39(20-30-11-13-33(74)14-12-30)69-52(84)42(27-73)71-50(82)40(21-31-23-62-36-8-4-3-7-34(31)36)70-51(83)41(22-32-24-60-28-65-32)68-47(79)35(56)15-16-46(77)78/h3-4,7-8,11-14,23-24,28-29,35,37-43,62,73-74H,5-6,9-10,15-22,25-27,56H2,1-2H3,(H2,57,75)(H,60,65)(H,63,85)(H,64,80)(H,66,76)(H,67,81)(H,68,79)(H,69,84)(H,70,83)(H,71,82)(H,77,78)(H4,58,59,61)/t35?,37-,38+,39+,40+,41?,42+,43-/m1/s1
HMDB54087	TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB54086	TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB54089	TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,37-38,40-41,54H,4-14,21-23,28-29,34-36,39,42-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB12969	Heptanoyl-CoA	CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1
HMDB05193	CE(20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C47H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h14-15,28,37-38,40-44H,7-13,16-27,29-36H2,1-6H3/b15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1
HMDB05199	(R)-Salsolinol	CC1NCCC2=C1C=C(O)C(O)=C2	InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3
HMDB41083	(E)-Raphanusanin	CS\C=C1\CCNC1=S	InChI=1S/C6H9NS2/c1-9-4-5-2-3-7-6(5)8/h4H,2-3H2,1H3,(H,7,8)/b5-4-
HMDB41082	(5Z,8Z)-1,5,8-Heptadecatriene	CCCCCCCC\C=C\C\C=C\CCC=C	InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,9,11,15,17H,1,4-8,10,12-14,16H2,2H3/b11-9+,17-15+
HMDB41081	(Z)-1,5-Tridecadiene	CCCCCCC\C=C\CCC=C	InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,9,11H,1,4-8,10,12-13H2,2H3/b11-9+
HMDB41080	1,9-Tridecanediol; 1-Docosanoyl	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC(O)CCCC	InChI=1S/C35H70O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32-35(37)38-33-29-26-23-22-24-27-31-34(36)30-6-4-2/h34,36H,3-33H2,1-2H3
HMDB41087	Furoparadine	COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC3=C1C=CO3)C2=O	InChI=1S/C17H13NO5/c1-18-14-8-5-6-23-12(8)7-11(20)13(14)16(21)9-3-4-10(19)17(22-2)15(9)18/h3-7,19-20H,1-2H3
HMDB41086	Citbismine A	COC1=CC2=C(C(O)=C1C1C(OC3=C1C1=C(C(O)=C3)C(=O)C3=C(N1C)C(O)=CC=C3)C(C)(C)O)C(=O)C1=C(N2)C(OC)=C(OC)C=C1	InChI=1S/C35H32N2O10/c1-35(2,43)34-26(24-21(47-34)13-18(39)23-29(24)37(3)28-15(31(23)41)8-7-9-17(28)38)25-20(45-5)12-16-22(32(25)42)30(40)14-10-11-19(44-4)33(46-6)27(14)36-16/h7-13,26,34,38-39,42-43H,1-6H3,(H,36,40)
HMDB41085	Sambutoxin	CCC(C)CC(C)\C=C(/C)C1OC(CCC1C)C1=C(O)C(=CN(C)C1=O)C1=CC=C(O)C=C1	InChI=1S/C28H39NO4/c1-7-17(2)14-18(3)15-20(5)27-19(4)8-13-24(33-27)25-26(31)23(16-29(6)28(25)32)21-9-11-22(30)12-10-21/h9-12,15-19,24,27,30-31H,7-8,13-14H2,1-6H3/b20-15+
HMDB41084	Raphanusamide	CO\C=C1\CCNC1=S	InChI=1S/C6H9NOS/c1-8-4-5-2-3-7-6(5)9/h4H,2-3H2,1H3,(H,7,9)/b5-4-
HMDB50500	TG(20:1(11Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-
HMDB50501	TG(20:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-
HMDB41089	4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol	OC(CC\C=C\C1=CC=CC=C1)CCC1=CC=C(O)C(O)=C1	InChI=1S/C19H22O3/c20-17(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-4,6-8,11,13-14,17,20-22H,5,9-10,12H2/b8-4+
HMDB41088	(E)-Squamosamide	COC1=CC(\C=C(/C(=O)NCCC2=CC=C(O)C=C2)C2=CC(OC)=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C26H27NO7/c1-32-22-13-17(6-9-21(22)29)12-20(18-14-23(33-2)25(30)24(15-18)34-3)26(31)27-11-10-16-4-7-19(28)8-5-16/h4-9,12-15,28-30H,10-11H2,1-3H3,(H,27,31)/b20-12-
HMDB50504	TG(20:1(11Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-33,35,58H,4-6,8-9,11-15,17-18,20-24,30-31,34,36-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,35-33-
HMDB50505	TG(20:1(11Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-33,35,41,44,58H,4-6,8-9,11-15,17-18,20-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,35-33-,44-41-
HMDB50506	TG(20:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-
HMDB50507	TG(20:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-
HMDB48579	TG(16:1(9Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,52H,4-14,17,21-22,26-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-
HMDB42258	TG(14:0/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,57H,4-13,15-16,18-22,24,26-56H2,1-3H3/b17-14-,25-23-
HMDB00118	Homovanillic acid	COC1=CC(CC(O)=O)=CC=C1O	InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
HMDB00119	Glyoxylic acid	OC(=O)C=O	InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
HMDB00112	Gamma-Aminobutyric acid	NCCCC(O)=O	InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
HMDB00114	Glycerylphosphorylethanolamine	OCCN(CC(O)CO)P(O)(O)=O	InChI=1S/C5H14NO6P/c7-2-1-6(13(10,11)12)3-5(9)4-8/h5,7-9H,1-4H2,(H2,10,11,12)
HMDB00115	Glycolic acid	OCC(O)=O	InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
HMDB32748	S-1-Propenyl 1-propanesulfinothioate	CCCS(=O)S\C=C/C	InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
HMDB32749	S-Propyl 1-propenesulfinothioate	CCCSS(=O)\C=C/C	InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4-
HMDB32746	S-Methyl 1-propenesulfinothioate	CSS(=O)\C=C/C	InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3-
HMDB32747	S-1-Propenyl methanesulfinothioate	C\C=C/SS(C)=O	InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3-4H,1-2H3/b4-3-
HMDB32744	S-Methyl 2-propene-1-sulfinothioate	CSS(=O)CC=C	InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3H,1,4H2,2H3
HMDB32745	S-2-Propenyl methanesulfinothioate	CS(=O)SCC=C	InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3H,1,4H2,2H3
HMDB32742	Di-O-methylcrenatin	COC1=CC(CO)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C15H22O9/c1-21-8-3-7(5-16)4-9(22-2)14(8)24-15-13(20)12(19)11(18)10(6-17)23-15/h3-4,10-13,15-20H,5-6H2,1-2H3
HMDB32743	2',4',6'-Trihydroxyacetophenone, 8CI; 2',4'-Di-Me ether, 6'-O-[b-D-xylopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C(C(C)=O)C(OC)=C1	InChI=1S/C21H30O13/c1-8(22)14-11(30-3)4-9(29-2)5-12(14)33-21-19(28)17(26)16(25)13(34-21)7-32-20-18(27)15(24)10(23)6-31-20/h4-5,10,13,15-21,23-28H,6-7H2,1-3H3
HMDB32740	N-Hexadecanoylpyrrolidine	CCCCCCCCCCCCCCCC(=O)N1CCCC1	InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3
HMDB32741	S-2-Propenyl 1-propanesulfinothioate	CCCS(=O)SCC=C	InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3H,1,4-6H2,2H3
HMDB47364	TG(24:0/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H134O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,67H,4-25,27-28,30-66H2,1-3H3/b29-26-
HMDB47365	TG(24:0/18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C70H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-44-47-50-53-56-59-62-68(71)74-65-67(76-70(73)64-61-58-55-52-49-46-41-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,41,67H,4-20,22-23,25-29,31-40,42-66H2,1-3H3/b24-21-,41-30-
HMDB01445	N-Acetyl-D-glucosaminyldiphosphodolichol	OC[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O	InChI=1S/C23H43NO12P2/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-33-37(29,30)36-38(31,32)35-23-20(24-18(5)26)22(28)21(27)19(14-25)34-23/h8,10,17,19-23,25,27-28H,6-7,9,11-14H2,1-5H3,(H,24,26)(H,29,30)(H,31,32)/b16-10+/t17?,19-,20-,21-,22-,23+/m1/s1
HMDB01444	Adenosine octaphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O	InChI=1S/C20H32N10O31P8/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(53-19)1-51-62(35,36)55-64(39,40)57-66(43,44)59-68(47,48)61-69(49,50)60-67(45,46)58-65(41,42)56-63(37,38)52-2-8-12(32)14(34)20(54-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,21,23,25)(H2,22,24,26)/t7-,8?,11-,12-,13-,14-,19-,20-/m1/s1
HMDB01443	Phosphite	[O-]P([O-])[O-]	InChI=1S/O3P/c1-4(2)3/q-3
HMDB01442	Prostaglandin E1	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
HMDB01441	Dihydropteridine	C1CN=C2N=CN=CC2=N1	InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4H,1-2H2
HMDB01440	dGTP	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1	InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
HMDB47368	TG(24:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,36,61H,4-19,22,25-28,30-35,37-60H2,1-3H3/b23-20-,24-21-,36-29-
HMDB47369	TG(24:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,35-36,61H,4-19,21-22,24-26,28,30-34,37-60H2,1-3H3/b23-20-,35-27-,36-29-
HMDB01449	Allopregnanolone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
HMDB01448	Sulfate	[O-]S([O-])(=O)=O	InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
HMDB53116	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB46808	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,31,33,37,40,46,49,58H,4-14,16,19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b18-15-,20-17-,27-25-,33-31-,40-37-,49-46-
HMDB01999	Eicosapentaenoic acid	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
HMDB46809	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,32,34,39,42,48,51,60H,4-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,24-21-,28-26-,34-32-,42-39-,51-48-
HMDB01991	7-Methylxanthine	CN1C=NC2=C1C(=O)NC(=O)N2	InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
HMDB01993	7a-Hydroxy-cholestene-3-one	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
HMDB57462	CL(16:1(9Z)/18:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(84,85)90-66-72(79)67-91-97(86,87)93-71-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB57463	CL(16:1(9Z)/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB57460	CL(16:1(9Z)/18:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h28,32-33,35-36,38,73-75,80H,5-27,29-31,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,36-33-,38-35-/t73?,74-,75-/m1/s1
HMDB57461	CL(16:1(9Z)/18:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB57466	CL(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57467	CL(16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,44,48,56,60,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB31501	3-Hexenoic acid	CC\C=C/CC(O)=O	InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-
HMDB31500	2-Hexenoic acid, 9CI; (E)-form, Me ester	CCC\C=C\C(=O)OC	InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+
HMDB31503	1-Hexen-3-ol	CCCC(O)C=C	InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
HMDB31502	(E)-4-Hexen-1-ol	C\C=C/CCCO	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-
HMDB31505	Homoagmatine	NCCCCCNC(N)=N	InChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10)
HMDB31504	3-Hexenoic acid, 9CI; (E)-form, Me ester	CC\C=C/CC(=O)OC	InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4-
HMDB31507	1-Hydroxy-2-butanone	CCC(=O)CO	InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
HMDB31506	4,4'-Diaminodibutylamine	NCCCCNCCCCN	InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2
HMDB31509	3-Hydroxyhexanoic acid, 9CI, 8CI; ()-form, Et ester	CCCC(O)CC(=O)OCC	InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
HMDB57465	CL(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,38,41,48,52,73-75,80H,5-20,22-24,26,29-30,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB35211	3beta-24-Methylenelanost-9(11)-en-3-ol	CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,20,22-23,25-27,32H,3,10-14,16-19H2,1-2,4-9H3
HMDB08888	PE(15:0/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C34H66NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,32H,3-9,11,13-31,35H2,1-2H3,(H,38,39)/b12-10-/t32-/m1/s1
HMDB38621	z-Clausenamide	CN1\C=C/C2=C(C=CC=C2)C(C(O)C1=O)C1=CC=CC=C1	InChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11-
HMDB35212	Sonchuionoside C	CC(=O)\C=C\C1=C(C)C(O)C(CC1(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+
HMDB38627	Ethyl 3,4,5-trimethoxybenzoate	CCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1	InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3
HMDB35214	Emodin	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O	InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
HMDB35217	10-Acetoxyligustroside	COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C\COC(C)=O)C1CC(=O)OCCC1=CC=C(O)C=C1	InChI=1S/C27H34O14/c1-14(29)37-10-8-17-18(11-21(31)38-9-7-15-3-5-16(30)6-4-15)19(25(35)36-2)13-39-26(17)41-27-24(34)23(33)22(32)20(12-28)40-27/h3-6,8,13,18,20,22-24,26-28,30,32-34H,7,9-12H2,1-2H3/b17-8+
HMDB08889	PE(15:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1
HMDB35219	Aloin	OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O	InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2
HMDB35218	Cinereain	CC(C)\C=C1\NC(=O)C(C(C)C)N2C(=O)C3=C(OC=CC=C3)N=C12	InChI=1S/C18H21N3O3/c1-10(2)9-13-15-20-17-12(7-5-6-8-24-17)18(23)21(15)14(11(3)4)16(22)19-13/h5-11,14H,1-4H3,(H,19,22)/b13-9+
HMDB38629	Litebamine	COC1=CC2=C(C=CC3=C2C(OC)=C(O)C2=C3CCN(C)C2)C=C1O	InChI=1S/C20H21NO4/c1-21-7-6-12-13-5-4-11-8-16(22)17(24-2)9-14(11)18(13)20(25-3)19(23)15(12)10-21/h4-5,8-9,22-23H,6-7,10H2,1-3H3
HMDB38628	Hydroxymethyl indol-3-yl ketone	OCC(=O)C1=CNC2=C1C=CC=C2	InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2
HMDB30454	Macrophorin A	CC1(C)CCCC2(C)C(CC34OC3C(O)C(CO)=CC4=O)C(=C)CCC12	InChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3
HMDB30455	Macrophorin C	CC1(C)C(O)CCC2(C)C(CC34OC3C(O)C(CO)=CC4=O)C(=C)CCC12	InChI=1S/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-16,18-19,23-24,26H,1,5-8,10-11H2,2-4H3
HMDB30456	Macrophorin B	CC1(C)C2CCC(=C)C(CC34OC3C(O)C(CO)=CC4=O)C2(C)CCC1=O	InChI=1S/C22H30O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-15,18-19,23,26H,1,5-8,10-11H2,2-4H3
HMDB30457	Cyclochlorotine	CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)CC(NC(=O)C(CO)NC1=O)C1=CC=CC=C1	InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)
HMDB30450	Atalantoflavone	CC1(C)OC2=C(C=C1)C1=C(C(O)=C2)C(=O)C=C(O1)C1=CC=C(O)C=C1	InChI=1S/C20H16O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
HMDB30451	Cefapirin	CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O	InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)
HMDB30452	Blasticidin S	CN(CCC(N)CC(=O)NC1C=CC(OC1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N	InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)
HMDB30453	Annonsilin A	CCCCCCCCCCC(O)C(O)CCC(O)C1CCC(O1)C1CCC(CCCCCCCCCC2=CC(C)OC2=O)O1	InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(38)32(39)22-23-33(40)34-25-26-36(44-34)35-24-21-30(43-35)19-16-13-10-8-9-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB30458	Islanditoxin	CCC1NC(=O)CC(NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)C(CO)NC1=O)C1=CC=CC=C1	InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)29-16(10-32)22(36)30-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-15(8-18(34)27-14)12-6-4-3-5-7-12/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,35)(H,30,36)
HMDB30459	Hordatine B	COC1=C2OC(C(C(=O)NCCCCNC(N)=N)C2=CC(\C=C/C(=O)NCCCCNC(N)=N)=C1)C1=CC=C(O)C=C1	InChI=1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6-
HMDB33907	Homodolicholide	C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C29H48O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-26,30-33H,8-14H2,1-6H3/b17-7+
HMDB33906	2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan	COC1=C(OC)C2=C(CCC(O2)C2=CC(OC)=C(OC)C(OC)=C2O)C=C1	InChI=1S/C20H24O7/c1-22-14-9-7-11-6-8-13(27-17(11)18(14)24-3)12-10-15(23-2)19(25-4)20(26-5)16(12)21/h7,9-10,13,21H,6,8H2,1-5H3
HMDB33905	2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan	COC1=C(O)C2=C(CCC(O2)C2=CC(OC)=C(OC)C(OC)=C2O)C=C1	InChI=1S/C19H22O7/c1-22-13-8-6-10-5-7-12(26-17(10)16(13)21)11-9-14(23-2)18(24-3)19(25-4)15(11)20/h6,8-9,12,20-21H,5,7H2,1-4H3
HMDB33904	Mycosinol; Ac (7Z-)	CC#CC#C\C=C1\OC2(OC=CC2OC(C)=O)C=C1	InChI=1S/C15H12O4/c1-3-4-5-6-7-13-8-10-15(19-13)14(9-11-17-15)18-12(2)16/h7-11,14H,1-2H3/b13-7+
HMDB33903	3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione	O=C1NC(=O)C2CC=CCC12	InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)
HMDB33902	Isopentyl mercaptan	CC(C)CCS	InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
HMDB33901	Glyceollin I	CC1(C)OC2=C(C=C1)C1=C(C=C2)C2OC3=CC(O)=CC=C3C2(O)CO1	InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3
HMDB33900	Tomenin	COC1=C(OC)C(OC2OC(CO)C(O)C(O)C2O)=C2C=CC(=O)OC2=C1	InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(16(9)24-2)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3
HMDB33909	2'-Deoxymugineic acid	OC(CCNC(CCN1CCC1C(O)=O)C(O)=O)C(O)=O	InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)
HMDB33908	()-2-Heptanol	CCCCCC(C)O	InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
HMDB08329	PC(20:2(11Z,14Z)/14:1(9Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13-16,19-20,40H,6-12,17-18,21-39H2,1-5H3/b15-13-,16-14-,20-19-/t40-/m1/s1
HMDB08328	PC(20:2(11Z,14Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h14,16,19-20,40H,6-13,15,17-18,21-39H2,1-5H3/b16-14-,20-19-/t40-/m1/s1
HMDB51259	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,38-40,42-44,47,60H,4-8,10-11,13-15,17,20,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB51258	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,38-39,42,44,47,60H,4-8,10-11,13-15,17,20,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB56010	DG(16:0/0:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
HMDB43935	TG(16:0/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,33,36,52H,4-6,8-9,11-15,17-18,20-24,26,28-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,27-25-,36-33-
HMDB56012	DG(16:0/0:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3
HMDB56013	DG(16:0/0:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3
HMDB56014	DG(16:0/0:0/14:1n5)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h19,21,31,34H,3-18,20,22-30H2,1-2H3/b21-19+
HMDB40198	2,5-Dimethyl-3-(methylthio)furan	CSC1=C(C)OC(C)=C1	InChI=1S/C7H10OS/c1-5-4-7(9-3)6(2)8-5/h4H,1-3H3
HMDB56016	DG(16:0/0:0/18:1n7)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35,38H,3-12,14,16-34H2,1-2H3/b15-13-
HMDB43934	TG(16:0/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,52H,4-6,8-9,11-15,17-18,20-24,26,28-51H2,1-3H3/b10-7-,19-16-,27-25-
HMDB56018	DG(16:0/0:0/20:1n9)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,37,40H,3-16,19-36H2,1-2H3/b18-17-
HMDB56019	DG(16:0/0:0/20:3n9)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,37,40H,3-16,19,21,23-25,27,29-36H2,1-2H3/b18-17-,22-20-,28-26-
HMDB40199	2-Methyl-3-(methyldithio)furan	CSSC1=C(C)OC=C1	InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3
HMDB43937	TG(16:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-
HMDB43936	TG(16:0/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-
HMDB43931	TG(16:0/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-
HMDB46803	TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB09854	PI(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24,28,30,39,42-47,50-54H,3-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b14-12-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09855	PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,39,42-47,50-54H,3-10,15-16,20,23,25-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09856	PI(18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44-49,52-56H,3-10,15-16,20-22,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09857	PI(18:2(9Z,12Z)/22:3(10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,41,44-49,52-56H,3-10,15-16,20,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09850	PI(18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40-45,48-52H,3-10,15-16,21-36H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB08323	PC(20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1
HMDB09852	PI(18:2(9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,39,42-47,50-54H,3-11,13,15-16,20,22-38H2,1-2H3,(H,55,56)/b14-12-,19-17-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09853	PI(18:2(9Z,12Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,39,42-47,50-54H,3-10,15-16,20,22-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB08322	PC(20:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,50H,6-20,22,24-49H2,1-5H3/b23-21-/t50-/m1/s1
HMDB09858	PI(18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,37,40-45,48-52H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3,(H,53,54)/b13-11-,19-17-,25-23-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09859	PI(18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,37,40-45,48-52H,3-10,12,15,18,20-22,24,26-36H2,1-2H3,(H,53,54)/b13-11-,16-14-,19-17-,25-23-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB08101	PC(18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h17,19-21,40H,6-16,18,22-39H2,1-5H3/b19-17-,21-20-/t40-/m1/s1
HMDB08100	PC(18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
HMDB08103	PC(18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,42H,6-16,18,21,23-41H2,1-5H3/b19-17-,22-20-/t42-/m1/s1
HMDB08102	PC(18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20-/t42-/m1/s1
HMDB08105	PC(18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,42H,6-14,16,18-19,24-41H2,1-5H3/b17-15-,22-20-,23-21-/t42-/m1/s1
HMDB08107	PC(18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,42H,6-8,10,12-14,16,18-19,24-41H2,1-5H3/b11-9-,17-15-,22-20-,23-21-/t42-/m1/s1
HMDB08106	PC(18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,42H,6-14,16,18-19,24-26,28,30-41H2,1-5H3/b17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
HMDB08109	PC(18:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h21,24,44H,6-20,22-23,25-43H2,1-5H3/b24-21-/t44-/m1/s1
HMDB08108	PC(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,42H,6-8,10,12-14,16,18-19,24-26,28,30-41H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
HMDB29138	Valyl-Tryptophan	CC(C)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C16H21N3O3/c1-9(2)14(16(21)22)19-15(20)12(17)7-10-8-18-13-6-4-3-5-11(10)13/h3-6,8-9,12,14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)
HMDB39998	2-Acetyl-3,6-dimethylpyrazine	CC(=O)C1=NC(C)=CN=C1C	InChI=1S/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3
HMDB39999	2-Acetyl-3,5-dimethylpyrazine	CC(=O)C1=NC=C(C)N=C1C	InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3
HMDB39996	2,3-Dimethyl-5-propylpyrazine	CCCC1=CN=C(C)C(C)=N1	InChI=1S/C9H14N2/c1-4-5-9-6-10-7(2)8(3)11-9/h6H,4-5H2,1-3H3
HMDB39997	2-Methyl-5-(1-propenyl)pyrazine	C\C=C\C1=CN=C(C)C=N1	InChI=1S/C8H10N2/c1-3-4-8-6-9-7(2)5-10-8/h3-6H,1-2H3/b4-3+
HMDB39994	2-Methyl-3-(2-propenyl)pyrazine	CC1=C(CC=C)N=CC=N1	InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3
HMDB39995	3,5-Dimethyl-2-propylpyrazine	CCCC1=C(C)N=C(C)C=N1	InChI=1S/C9H14N2/c1-4-5-9-8(3)11-7(2)6-10-9/h6H,4-5H2,1-3H3
HMDB39992	2-Methyl-6-(2-propenyl)pyrazine	CC1=NC(CC=C)=CN=C1	InChI=1S/C8H10N2/c1-3-4-8-6-9-5-7(2)10-8/h3,5-6H,1,4H2,2H3
HMDB39993	2-Methyl-5-(2-propenyl)pyrazine	CC1=NC=C(CC=C)N=C1	InChI=1S/C8H10N2/c1-3-4-8-6-9-7(2)5-10-8/h3,5-6H,1,4H2,2H3
HMDB39990	2-Methyl-6-(1-propenyl)pyrazine	C\C=C\C1=CN=CC(C)=N1	InChI=1S/C8H10N2/c1-3-4-8-6-9-5-7(2)10-8/h3-6H,1-2H3/b4-3+
HMDB39991	2-Methyl-3-(1-propenyl)pyrazine	C\C=C\C1=NC=CN=C1C	InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3-6H,1-2H3/b4-3+
HMDB37103	Gibberellin A124	CC12CCCC3(COC1=O)C1CC(O)C4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C20H26O6/c1-10-7-19-8-20(10,25)12(21)6-11(19)18-5-3-4-17(2,16(24)26-9-18)14(18)13(19)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)
HMDB37102	Debenzoylzucchini factor B	CC1(CO)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1	InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3
HMDB37101	8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid	COC1=CC2=C(C(C)=C1C(O)=O)C(=O)C1=C(O)C=CC=C1C2=O	InChI=1S/C17H12O6/c1-7-12-9(6-11(23-2)13(7)17(21)22)15(19)8-4-3-5-10(18)14(8)16(12)20/h3-6,18H,1-2H3,(H,21,22)
HMDB37100	Orientaloside	CC(=O)C1=C(O)C2=C(C=CC=C2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C=C1C	InChI=1S/C25H32O13/c1-9-6-11-4-3-5-12(16(11)19(31)15(9)10(2)28)35-25-22(34)23(18(30)14(8-27)37-25)38-24-21(33)20(32)17(29)13(7-26)36-24/h3-6,13-14,17-18,20-27,29-34H,7-8H2,1-2H3
HMDB37107	N1-trans-Feruloylagmatine	COC1=CC(\C=C\C(=O)NCCCCNC(N)=N)=CC=C1O	InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+
HMDB37106	1-Nonen-3-ol, 9CI; (x)-form, Ac	CCCCCCC(OC(C)=O)C=C	InChI=1S/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h5,11H,2,4,6-9H2,1,3H3
HMDB37105	Armillaramide	CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC	InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36-37,39H,3-30H2,1-2H3,(H,35,38)
HMDB37104	8-Hydroxy-p-menth-6-en-2-one; (R)-form, Ac	CC(=O)OC(C)(C)C1CC=C(C)C(=O)C1	InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3
HMDB37109	(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol	OC1C(O)C2=CC=CC3=C2C(C1O)=C(C=C3)C1=CC=C(O)C=C1	InChI=1S/C19H16O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17-23H
HMDB37108	4-(2-Propenyl)-1,2-benzenediol, 9CI; 1-O-[a-L-Rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	C\C=C\C1=CC(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C1	InChI=1S/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3-7,9,13-28H,8H2,1-2H3/b4-3+
HMDB46804	TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB44956	TG(18:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30-31,33,36,39,58H,4-15,17-18,20-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b19-16-,28-25-,31-30-,33-27-,39-36-
HMDB44957	TG(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30-31,33,36,39,45,48,58H,4-15,17-18,20-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,28-25-,31-30-,33-27-,39-36-,48-45-
HMDB44955	TG(18:0/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,33,58H,4-15,17-18,20-24,26,29-32,34-57H2,1-3H3/b19-16-,28-25-,33-27-
HMDB44952	TG(18:0/18:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,22,25,27,30,55H,4-12,14-15,17-21,23-24,26,28-29,31-54H2,1-3H3/b16-13-,25-22-,30-27-
HMDB44953	TG(18:0/18:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31-32,34,56H,4-15,17-18,20-24,26,29-30,33,35-55H2,1-3H3/b19-16-,28-25-,31-27-,34-32-
HMDB44951	TG(18:0/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,54H,4-15,17-18,20-24,26,29,31-33,35-36,38-53H2,1-3H3/b19-16-,28-25-,30-27-,37-34-
HMDB44958	TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,54H,4-6,8-9,11-15,17-18,20-24,26,29,31-53H2,1-3H3/b10-7-,19-16-,28-25-,30-27-
HMDB44959	TG(18:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,37,54H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-
HMDB14037	6-Hydroxyfluvastatin	CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC=C(O)C=C12	InChI=1S/C24H26FNO5/c1-14(2)26-21(10-8-17(27)11-19(29)13-23(30)31)24(15-3-5-16(25)6-4-15)20-9-7-18(28)12-22(20)26/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31)/b10-8+/t17-,19-/m0/s1
HMDB14038	N-Deisopropyl-fluvastatin	O[C@@H](C[C@@H](O)\C=C\C1=C(C2=CC=CC=C2N1)C1=CC=C(F)C=C1)CC(O)=O	InChI=1S/C21H20FNO4/c22-14-7-5-13(6-8-14)21-17-3-1-2-4-18(17)23-19(21)10-9-15(24)11-16(25)12-20(26)27/h1-10,15-16,23-25H,11-12H2,(H,26,27)/b10-9+/t15-,16-/m0/s1
HMDB14039	5-Hydroxyfluvastatin	CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC(O)=CC=C12	InChI=1S/C24H26FNO5/c1-14(2)26-21-9-7-18(28)12-20(21)24(15-3-5-16(25)6-4-15)22(26)10-8-17(27)11-19(29)13-23(30)31/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31)/b10-8+/t17-,19-/m0/s1
HMDB00523	5-Androstene-3b,16b,17a-triol	[H][C@@]12C[C@H](O)[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16-,17+,18-,19-/m0/s1
HMDB00522	3-Methylglutaconic acid	C\C(CC(O)=O)=C/C(O)=O	InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
HMDB59017	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61,64,68,83-85,90H,5-8,10-12,14-20,24,29-31,39-40,43,47-49,53,55,58-60,62-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,68-64-/t83?,84-,85-/m1/s1
HMDB59016	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43-44,46,48-50,52,55,58-59,62,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,45,47,51,53-54,56-57,60-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-/t81?,82-,83-/m1/s1
HMDB00527	6a,12a-Dihydroxylithocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])C[C@H](O)C2C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19?,20+,21+,23-,24-/m1/s1
HMDB00526	5a-Tetrahydrocortisol	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19-,20-,21-/m0/s1
HMDB00525	5-Hydroxyhexanoic acid	CC(O)CCCC(O)=O	InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
HMDB00524	5b-Cholestane-3a,7a,12a,25-tetrol	[H][C@@]12CCC([C@H](C)CCCC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17+,18-,19?,20+,21+,22-,23+,24+,26+,27-/m1/s1
HMDB36272	Momordicasaponin II	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(O)C(O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C76H120O41/c1-25-38(83)44(89)49(94)64(104-25)112-56-51(96)58(61(99)100)114-69(60(56)116-65-50(95)45(90)42(87)32(20-77)107-65)109-37-13-14-72(6)34(73(37,7)24-79)12-15-74(8)35(72)11-10-28-29-18-71(4,5)16-17-76(29,36(82)19-75(28,74)9)70(101)117-68-59(46(91)39(84)26(2)105-68)115-66-53(98)57(54(27(3)106-66)110-62-47(92)40(85)30(80)22-102-62)113-67-52(97)55(43(88)33(21-78)108-67)111-63-48(93)41(86)31(81)23-103-63/h10,24-27,29-60,62-69,77-78,80-98H,11-23H2,1-9H3,(H,99,100)
HMDB36273	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 28-O-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-4-O-acetyl-b-D-fucopyranosyl] ester	CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C67H104O33/c1-24-36(73)39(76)45(82)56(89-24)98-52-49(92-27(4)70)26(3)91-60(53(52)99-57-47(84)43(80)48(25(2)90-57)95-55-44(81)37(74)30(71)22-88-55)100-61(87)67-18-17-62(5,6)19-29(67)28-11-12-33-63(7)15-14-35(64(8,23-69)32(63)13-16-65(33,9)66(28,10)20-34(67)72)94-59-51(42(79)41(78)50(96-59)54(85)86)97-58-46(83)40(77)38(75)31(21-68)93-58/h11,23-26,29-53,55-60,68,71-84H,12-22H2,1-10H3,(H,85,86)
HMDB36270	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;3)-[b-D-galactopyranosyl-(1-&gt;2)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnopyranosyl-(1-&gt;2)-3-O-[5-[[5-(a-L-arab	CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(O)C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C1OC1OC(C)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O	InChI=1S/C94H152O47/c1-14-35(3)45(128-54(103)26-41(100)25-46(36(4)15-2)129-82-66(115)61(110)49(32-97)130-82)24-40(99)27-55(104)134-73-57(106)38(6)126-86(77(73)140-85-71(120)75(137-83-68(117)63(112)59(108)47(30-95)131-83)72(39(7)127-85)135-80-65(114)58(107)44(101)33-124-80)141-88(123)94-23-22-89(8,9)28-43(94)42-16-17-51-90(10)20-19-53(91(11,34-98)50(90)18-21-92(51,12)93(42,13)29-52(94)102)133-87-78(139-84-69(118)64(113)60(109)48(31-96)132-84)74(70(119)76(138-87)79(121)122)136-81-67(116)62(111)56(105)37(5)125-81/h16,34-41,43-53,56-78,80-87,95-97,99-102,105-120H,14-15,17-33H2,1-13H3,(H,121,122)
HMDB36271	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnopyranosyl-(1-&gt;2)-3-O-[5-[[5-(a-L-arabin	CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(O)C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C1OC1OC(C)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O	InChI=1S/C93H150O47/c1-13-35(3)45(127-54(103)25-40(99)24-46(36(4)14-2)128-81-66(115)61(110)49(31-96)129-81)23-39(98)26-55(104)133-72-56(105)37(5)125-85(76(72)139-84-70(119)74(136-82-67(116)62(111)59(108)47(29-94)130-82)71(38(6)126-84)134-79-64(113)57(106)43(100)32-123-79)140-87(122)93-22-21-88(7,8)27-42(93)41-15-16-51-89(9)19-18-53(90(10,34-97)50(89)17-20-91(51,11)92(41,12)28-52(93)102)132-86-77(138-83-68(117)63(112)60(109)48(30-95)131-83)73(69(118)75(137-86)78(120)121)135-80-65(114)58(107)44(101)33-124-80/h15,34-40,42-53,56-77,79-86,94-96,98-102,105-119H,13-14,16-33H2,1-12H3,(H,120,121)
HMDB36276	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-apiofuranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(OC6OCC(O)(CO)C6O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C78H122O41/c1-27-40(85)43(88)47(92)64(105-27)114-56-51(96)57(62(99)100)115-69(59(56)117-67-49(94)45(90)42(87)35(22-79)110-67)111-39-15-16-73(8)36(74(39,9)24-80)14-17-75(10)37(73)13-12-32-33-20-72(6,7)18-19-78(33,38(84)21-76(32,75)11)71(101)119-68-60(58(54(30(4)108-68)109-31(5)82)116-65-48(93)44(89)41(86)28(2)106-65)118-66-50(95)46(91)53(29(3)107-66)112-63-52(97)55(34(83)23-103-63)113-70-61(98)77(102,25-81)26-104-70/h12,24,27-30,33-61,63-70,79,81,83-98,102H,13-23,25-26H2,1-11H3,(H,99,100)
HMDB36277	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-apiofuranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;	CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C77H120O41/c1-27-40(85)43(88)47(92)64(105-27)115-57-53(108-30(4)81)29(3)107-67(59(57)117-65-49(94)45(90)52(28(2)106-65)111-63-51(96)54(34(83)23-103-63)112-69-60(97)76(101,25-80)26-104-69)118-70(100)77-18-17-71(5,6)19-32(77)31-11-12-37-72(7)15-14-39(73(8,24-79)36(72)13-16-74(37,9)75(31,10)20-38(77)84)110-68-58(116-66-48(93)44(89)42(87)35(21-78)109-66)55(50(95)56(114-68)61(98)99)113-62-46(91)41(86)33(82)22-102-62/h11,24,27-29,32-60,62-69,78,80,82-97,101H,12-23,25-26H2,1-10H3,(H,98,99)
HMDB36274	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-4-O-acetyl-b-D-fuco	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C73H114O37/c1-25-38(79)42(83)47(88)61(97-25)105-54-51(92)55(59(93)94)106-66(57(54)108-64-49(90)44(85)41(82)33(22-74)102-64)103-37-15-16-69(8)34(70(37,9)24-75)14-17-71(10)35(69)13-12-30-31-20-68(6,7)18-19-73(31,36(78)21-72(30,71)11)67(95)110-65-58(56(53(28(4)100-65)101-29(5)76)107-62-48(89)43(84)39(80)26(2)98-62)109-63-50(91)45(86)52(27(3)99-63)104-60-46(87)40(81)32(77)23-96-60/h12,24-28,31-58,60-66,74,77-92H,13-23H2,1-11H3,(H,93,94)
HMDB36275	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-4-O-acetyl-b-D-fucopy	CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C72H112O37/c1-25-38(79)42(83)47(88)61(97-25)106-55-52(100-28(4)75)27(3)99-64(57(55)108-62-49(90)44(85)51(26(2)98-62)103-59-45(86)39(80)31(76)22-95-59)109-66(94)72-18-17-67(5,6)19-30(72)29-11-12-35-68(7)15-14-37(69(8,24-74)34(68)13-16-70(35,9)71(29,10)20-36(72)78)102-65-56(107-63-48(89)43(84)41(82)33(21-73)101-63)53(50(91)54(105-65)58(92)93)104-60-46(87)40(81)32(77)23-96-60/h11,24-27,30-57,59-65,73,76-91H,12-23H2,1-10H3,(H,92,93)
HMDB59019	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,48,51,55-56,60,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47,49-50,52-54,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,48-46-,55-51-,60-56-/t77?,78-,79-/m1/s1
HMDB36278	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-xylopyranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C78H122O41/c1-26-40(85)44(89)49(94)66(105-26)114-58-53(98)59(63(100)101)115-71(61(58)117-69-51(96)46(91)43(88)35(22-79)110-69)111-39-15-16-74(8)36(75(39,9)25-80)14-17-76(10)37(74)13-12-31-32-20-73(6,7)18-19-78(32,38(84)21-77(31,76)11)72(102)119-70-62(60(56(29(4)108-70)109-30(5)81)116-67-50(95)45(90)41(86)27(2)106-67)118-68-52(97)47(92)55(28(3)107-68)112-65-54(99)57(34(83)24-104-65)113-64-48(93)42(87)33(82)23-103-64/h12,25-29,32-62,64-71,79,82-99H,13-24H2,1-11H3,(H,100,101)
HMDB36279	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-xylopyranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;	CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C77H120O41/c1-26-40(85)44(89)49(94)66(105-26)115-59-55(108-29(4)80)28(3)107-69(61(59)117-67-51(96)46(91)54(27(2)106-67)111-65-53(98)56(34(83)24-104-65)112-63-47(92)41(86)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39(74(8,25-79)36(73)13-16-75(37,9)76(30,10)20-38(77)84)110-70-60(116-68-50(95)45(90)43(88)35(21-78)109-68)57(52(97)58(114-70)62(99)100)113-64-48(93)42(87)33(82)23-103-64/h11,25-28,31-61,63-70,78,81-98H,12-24H2,1-10H3,(H,99,100)
HMDB59018	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,47-49,53,55,58-60,62-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-/t83?,84-,85-/m1/s1
HMDB45609	TG(20:0/22:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
HMDB45608	TG(20:0/22:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3
HMDB45601	TG(20:0/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,32,38,41,58H,4-8,10-11,13-17,19-20,22-26,28-31,33-37,39-40,42-57H2,1-3H3/b12-9-,21-18-,32-27-,41-38-
HMDB45600	TG(20:0/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,32,58H,4-8,10-11,13-17,19-20,22-26,28-31,33-57H2,1-3H3/b12-9-,21-18-,32-27-
HMDB45603	TG(20:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,37-34-,46-43-
HMDB45602	TG(20:0/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-59H2,1-3H3/b10-7-,19-16-,28-25-,37-34-
HMDB45605	TG(20:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,35,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,43-40-,52-49-
HMDB45604	TG(20:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,35,40,43,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,43-40-
HMDB45607	TG(20:0/22:0/20:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h62H,4-61H2,1-3H3
HMDB45606	TG(20:0/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB42468	TG(14:0/22:1(13Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,55H,4-13,15-16,18-22,27-54H2,1-3H3/b17-14-,25-23-,26-24-
HMDB42469	TG(14:0/22:1(13Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,56H,4-16,18-19,21-23,28-31,33,35-55H2,1-3H3/b20-17-,26-24-,27-25-,34-32-
HMDB42464	TG(14:0/22:1(13Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-
HMDB42465	TG(14:0/22:1(13Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,60H,4-23,28-59H2,1-3H3/b26-24-,27-25-
HMDB42466	TG(14:0/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,31,55H,4-19,21-22,25,28-30,32-54H2,1-3H3/b23-20-,26-24-,31-27-
HMDB42467	TG(14:0/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,35,38,54H,4-16,18-19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b20-17-,26-24-,30-25-,38-35-
HMDB42460	TG(14:0/22:1(13Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h20,23-24,26,54H,4-19,21-22,25,27-53H2,1-3H3/b23-20-,26-24-
HMDB42461	TG(14:0/22:1(13Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h24-26,30,54H,4-23,27-29,31-53H2,1-3H3/b26-24-,30-25-
HMDB42462	TG(14:0/22:1(13Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24-27,56H,4-23,28-55H2,1-3H3/b26-24-,27-25-
HMDB42463	TG(14:0/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24-27,32,34,40,43,56H,4-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b26-24-,27-25-,34-32-,43-40-
HMDB13567	PGP(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,39-40,43H,3-10,15-16,21-22,24,26-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-/t39-,40+/m0/s1
HMDB13566	PGP(18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,39-40,43H,3-10,12,14-16,21-22,24,26-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,19-17-,20-18-,25-23-/t39-,40+/m0/s1
HMDB13565	PGP(18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,39-40,43H,3-10,12,15,18,20-22,24,26-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,16-14-,19-17-,25-23-/t39-,40+/m0/s1
HMDB13564	PGP(18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,39-40,43H,3-10,12,14-16,18,20-22,24,26-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,19-17-,25-23-/t39-,40+/m0/s1
HMDB13563	PGP(18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H72O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,21,23,37-38,41H,3-10,12,15,19-20,22,24-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,16-14-,18-17-,23-21-/t37-,38+/m0/s1
HMDB13562	PGP(18:3(6Z,9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,37-38,41H,3-10,12,14-16,19-20,22,24-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,18-17-,23-21-/t37-,38+/m0/s1
HMDB13561	PGP(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,43-44,47H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB13560	PGP(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,43-44,47H,3-4,6,8-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB46554	TG(22:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,41,44,50,53,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,44-41-,53-50-
HMDB46555	TG(22:0/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,61H,4-25,27-28,30-60H2,1-3H3/b29-26-
HMDB46556	TG(22:0/20:3(5Z,8Z,11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,40,43,49,52,64H,4-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b30-27-,43-40-,52-49-
HMDB46557	TG(22:0/20:3(5Z,8Z,11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,42,45,51,54,66H,4-26,28-29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b30-27-,45-42-,54-51-
HMDB46550	TG(22:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,40,43,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,43-40-
HMDB46551	TG(22:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,36,39,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-
HMDB13569	PGP(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23,25,39-40,43H,3-5,7,9-10,15-16,21-22,24,26-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-,40+/m0/s1
HMDB13568	PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,39-40,43H,3-10,15-16,21-22,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40+/m0/s1
HMDB49121	TG(18:1(11Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,32,35,52H,4-15,17-18,21-22,24,26,28-31,33-34,36-51H2,1-3H3/b19-16-,23-20-,27-25-,35-32-
HMDB43186	TG(15:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H86O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,31,47H,4-6,8-9,11-14,17,20-23,26-28,30,32-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,31-29-
HMDB49123	TG(18:1(11Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,33,54H,4-15,17-18,21-22,24,26,28-29,31-32,34-53H2,1-3H3/b19-16-,23-20-,27-25-,33-30-
HMDB49125	TG(18:1(11Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,56H,4-15,17-18,21-22,24,26,28-55H2,1-3H3/b19-16-,23-20-,27-25-
HMDB52123	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB49126	TG(18:1(11Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,35,37,56H,4-15,17-18,21-22,24,26,28,31-34,36,38-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-35-
HMDB49127	TG(18:1(11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,35,37,43,46,56H,4-15,17-18,21-22,24,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-35-,46-43-
HMDB39239	Gibberellin A87	CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)C(O)CC5C3(OC1=O)C=CC2O	InChI=1S/C19H22O7/c1-8-6-17-7-18(8,25)11(21)5-9(17)19-4-3-10(20)16(2,15(24)26-19)13(19)12(17)14(22)23/h3-4,9-13,20-21,25H,1,5-7H2,2H3,(H,22,23)
HMDB39238	Cytokinin B	C(NC1=C2N=CNC2=NC=N1)C1=CC=CC=C1	InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
HMDB43739	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,39-40,42-43,55H,4-6,9,12-15,18,21-24,29-30,35-38,41,44-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB43738	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,40,43,55H,4-6,9,12-15,18,21-24,29-30,35-39,41-42,44-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,43-40-
HMDB39233	Verbasoside	CC1OC(OC2C(O)C(CO)OC(OCCC3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O	InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3
HMDB39232	Randilongin	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C41H72O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-38-44-41(43)37-34-39-32-35-40(42)36-33-39/h32-37,42H,2-31,38H2,1H3/b37-34+
HMDB39231	Citrusin B	COC1=CC(\C=C/CO)=CC(OC)=C1OC(CO)C(O)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4-
HMDB39230	Citrusin A	COC1=C(OC(CO)C(O)C2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C=CC(\C=C/CO)=C1	InChI=1S/C26H34O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3-
HMDB39237	Glucinol	CO[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c1-21-11-8(19)5(16)9(20)12(23-11)22-10-6(17)3(14)2(13)4(15)7(10)18/h2-20H,1H3/t2-,3-,4+,5-,6-,7-,8-,9+,10-,11-,12+/m0/s1
HMDB39236	Caftaric acid	OC(C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+
HMDB39235	Citrusin F	COC(=O)CCC1=CC(O)=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C=C1	InChI=1S/C22H32O14/c1-32-14(25)5-3-9-2-4-11(10(24)6-9)34-22-20(31)18(29)16(27)13(36-22)8-33-21-19(30)17(28)15(26)12(7-23)35-21/h2,4,6,12-13,15-24,26-31H,3,5,7-8H2,1H3
HMDB39234	Citrusin E	COC(=O)CCC1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C17H24O9/c1-23-11-7-9(4-6-13(19)24-2)3-5-10(11)25-17-16(22)15(21)14(20)12(8-18)26-17/h3,5,7,12,14-18,20-22H,4,6,8H2,1-2H3
HMDB47609	TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36,38,41,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,37,39-40,42-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,41-38-
HMDB47608	TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,38,41,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-37,39-40,42-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,41-38-
HMDB47607	TG(24:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,36,39,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,39-36-
HMDB47606	TG(24:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,35,37,58H,4-7,9-10,12-14,16,19,21-24,26,28-34,36,38-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,37-35-
HMDB47605	TG(24:0/20:4(8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,44,47,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-43,45-46,48-67H2,1-3H3/b12-9-,21-18-,30-27-,47-44-
HMDB47604	TG(24:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,42,45,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-41,43-44,46-60H2,1-3H3/b12-9-,21-18-,35-27-,45-42-
HMDB47603	TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,41,44,46,49-50,53,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-
HMDB47602	TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,41,44,46,49,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-
HMDB47601	TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,39,44-45,47-48,62H,4-7,10,13-16,19,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB47600	TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,39,44,47,62H,4-7,10,13-16,19,22-25,28,30-35,38,40-43,45-46,48-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-
HMDB51249	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,39-40,43,45,48-49,52,66H,4-16,18-19,21-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB48430	TG(16:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-
HMDB34258	Amritoside	OCC1OC(OCC2OC(OC3=CC4=C5C(OC(=O)C6=CC(O)=C(O)C(OC4=O)=C56)=C3O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C26H26O18/c27-3-9-14(30)17(33)19(35)25(41-9)39-4-10-15(31)18(34)20(36)26(42-10)40-8-2-6-12-11-5(23(37)44-22(12)16(8)32)1-7(28)13(29)21(11)43-24(6)38/h1-2,9-10,14-15,17-20,25-36H,3-4H2
HMDB34259	Bovinocidin	OC(=O)CCN(=O)=O	InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
HMDB34252	2-Aminoheptanedioic acid	NC(CCCCC(O)=O)C(O)=O	InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)
HMDB34253	z2-Tocopherol	CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C=C(C)C(O)=C2C	InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)27(29)23(5)19-26(25)30-28/h19-22,29H,8-18H2,1-7H3
HMDB34250	Betamipron	OC(=O)CCNC(=O)C1=CC=CC=C1	InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
HMDB34251	Aspartic acid, INN, USAN; (S)-form, N-Benzoyl	OC(=O)CC(NC(=O)C1=CC=CC=C1)C(O)=O	InChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17)
HMDB34256	(+)-Sesamin	C1OC2=CC=C(C=C2O1)C1OCC2C1COC2C1=CC2=C(OCO2)C=C1	InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2
HMDB34257	Seselin	CC1(C)OC2=CC=C3C=CC(=O)OC3=C2C=C1	InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
HMDB34254	eta-Tocopherol	CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C=C(C)C(O)=C2	InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3
HMDB34255	5-Methoxyseselin	COC1=CC2=C(C=CC(C)(C)O2)C2=C1C=CC(=O)O2	InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-8H,1-3H3
HMDB38548	Glandulone B	C\C(C=O)=C/C\C=C(/C)C1=CC(=O)C(C)=CC1=O	InChI=1S/C15H16O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5-9H,4H2,1-3H3/b10-5+,11-6+
HMDB38549	Toralactone	COC1=CC2=C(C(O)=C1)C(O)=C1C(=O)OC(C)=CC1=C2	InChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h3-6,16-17H,1-2H3
HMDB38542	Goshonoside F6	C\C(CCC1C(=C)CCC2C(C)(CO)C(O)CCC12C)=C/COC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C31H52O12/c1-16(5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-33)10-12-40-28-27(39)25(37)24(36)20(43-28)14-41-29-26(38)23(35)19(13-32)42-29/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+
HMDB38543	Longistylin A	COC1=C(CC=C(C)C)C(O)=CC(\C=C/C2=CC=CC=C2)=C1	InChI=1S/C20H22O2/c1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h4-11,13-14,21H,12H2,1-3H3/b11-10-
HMDB38540	Goshonoside F2	C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/CO	InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+
HMDB38541	Goshonoside F5	C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O	InChI=1S/C32H54O13/c1-16(10-12-42-29-27(40)25(38)23(36)19(13-33)44-29)5-7-18-17(2)6-8-21-31(18,3)11-9-22(35)32(21,4)15-43-30-28(41)26(39)24(37)20(14-34)45-30/h10,18-30,33-41H,2,5-9,11-15H2,1,3-4H3/b16-10+
HMDB38546	Coccinin	CC12CCCC(C)(C1C(OC1OC(CO)C(O)C(O)C1O)OC2=O)C1CCC2CC1(CC2(O)CO)C=O	InChI=1S/C26H40O11/c1-23(15-5-4-13-8-25(15,11-28)10-26(13,34)12-29)6-3-7-24(2)19(23)21(37-22(24)33)36-20-18(32)17(31)16(30)14(9-27)35-20/h11,13-21,27,29-32,34H,3-10,12H2,1-2H3
HMDB38547	Glandulone A	CC(CC\C=C(/C)C=O)C1=CC(=O)C(C)=CC1=O	InChI=1S/C15H18O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11H,4,6H2,1-3H3/b10-5+
HMDB38544	Longistylin C	COC1=CC(\C=C/C2=CC=CC=C2)=CC=C1CC=C(C)C	InChI=1S/C20H22O/c1-16(2)9-13-19-14-12-18(15-20(19)21-3)11-10-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3/b11-10-
HMDB38545	(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide	CC1=C2C(CC3(C)OC3CCC3(C)OC3C2O)OC1=O	InChI=1S/C15H20O5/c1-7-10-8(18-13(7)17)6-15(3)9(19-15)4-5-14(2)12(20-14)11(10)16/h8-9,11-12,16H,4-6H2,1-3H3
HMDB48432	TG(16:1(9Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,34,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,34-31-
HMDB15109	Edetic Acid	OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O	InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
HMDB15108	Ezetimibe	O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1	InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
HMDB15107	Azelastine	CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O	InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
HMDB15106	Selenium Sulfide	S=[Se]	InChI=1S/SSe/c1-2
HMDB15105	Dactinomycin	[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C	InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1
HMDB15104	Alosetron	CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2	InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
HMDB15102	Desloratadine	ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1	InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
HMDB15101	Telmisartan	CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O	InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
HMDB42929	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-
HMDB42928	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,46,49,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-
HMDB42921	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,33,37,40,46,49,58H,4-7,9-10,12-15,18,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-
HMDB42920	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB42923	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-7,9-10,12-15,18,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-
HMDB42922	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-37,39-40,46,49,58H,4-7,9-10,12-15,18,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-
HMDB42925	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,35-36,38,42,45,54H,4-6,9,12-15,18,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-
HMDB42924	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,36,42,45,54H,4-6,9,12-15,18,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-
HMDB42927	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB42926	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38,44,47,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-
HMDB48923	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,32,38,41,54H,4-7,9-10,12-16,18-19,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-
HMDB41429	Squamosinin A	CCCCCC(O)C1CCC(O1)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C36H62O8/c1-3-4-11-15-28(38)30-17-19-32(42-30)34-21-22-35(44-34)33-20-18-31(43-33)29(39)16-13-10-8-6-5-7-9-12-14-27(37)24-26-23-25(2)41-36(26)40/h23,25,27-35,37-39H,3-22,24H2,1-2H3
HMDB48921	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,52H,4-7,9-10,12-16,18-19,22-23,29-51H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-
HMDB48920	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26,28,52H,4-7,9-10,12-16,18,23,25,27,29-51H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-
HMDB05357	TG(16:0/16:0/18:0)[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1
HMDB05356	TG(16:0/16:0/16:0)[iso]	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
HMDB48925	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-
HMDB41428	Muricatalin	CCCCCCCCCCCCCCCC(O)C(O)C(O)C(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30(37)32(38)34(40)33(39)31-23-22-29(43-31)20-17-15-16-19-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3
HMDB05359	TG(16:0/16:0/16:1(9Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-/t48-/m0/s1
HMDB05358	TG(16:0/16:0/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m1/s1
HMDB58315	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58314	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58317	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58316	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58311	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58310	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB48434	TG(16:1(9Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-29-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-
HMDB58312	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58319	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-67,70-71,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB58318	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-8,11-12,15-20,24,29-31,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB29818	Benzyl salicylate	OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1	InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
HMDB29819	2-Phenylethyl beta-D-glucopyranoside	OCC1OC(OCCC2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2
HMDB29812	8-Glucosyl-3,3',4',5,7-pentahydroxyflavone; 2''-O-a-L-Rhamnopyranoside	CC1OC(OC2C(O)C(O)C(CO)OC2C2=C3OC(=C(O)C(=O)C3=C(O)C=C2O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H30O16/c1-7-16(33)19(36)22(39)27(40-7)43-26-20(37)17(34)13(6-28)41-25(26)15-12(32)5-11(31)14-18(35)21(38)23(42-24(14)15)8-2-3-9(29)10(30)4-8/h2-5,7,13,16-17,19-20,22,25-34,36-39H,6H2,1H3
HMDB29813	5'-Hydroxycastavinol	COC1=CC(=CC(O)=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O	InChI=1S/C26H30O14/c1-9(28)25(2)18-17-12(30)6-11(29)7-14(17)39-26(40-25,10-4-13(31)19(32)15(5-10)36-3)23(18)38-24-22(35)21(34)20(33)16(8-27)37-24/h4-7,16,18,20-24,27,29-35H,8H2,1-3H3
HMDB29810	Phytosulfokine b	CCC(C)C(NC(=O)C(N)CC1=CC=C(OS(O)(=O)=O)C=C1)C(=O)NC(CC1=CC=C(OS(O)(=O)=O)C=C1)C(=O)NC(C(C)O)C(O)=O	InChI=1S/C28H38N4O14S2/c1-4-15(2)23(31-25(34)21(29)13-17-5-9-19(10-6-17)45-47(39,40)41)27(36)30-22(26(35)32-24(16(3)33)28(37)38)14-18-7-11-20(12-8-18)46-48(42,43)44/h5-12,15-16,21-24,33H,4,13-14,29H2,1-3H3,(H,30,36)(H,31,34)(H,32,35)(H,37,38)(H,39,40,41)(H,42,43,44)
HMDB29811	Ethyl hexadecanoate	CCCCCCCCCCCCCCCC(=O)OCC	InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
HMDB29816	Cardanoldiene	CCC\C=C\C\C=C\CCCCCCCC1=CC=CC(O)=C1	InChI=1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h4-5,7-8,15,17-19,22H,2-3,6,9-14,16H2,1H3/b5-4+,8-7+
HMDB29817	Ethyl salicylate	CCOC(=O)C1=C(O)C=CC=C1	InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
HMDB29814	5'-Methoxycastavinol	COC1=CC(=CC(OC)=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O	InChI=1S/C27H32O14/c1-10(29)26(2)19-18-13(31)7-12(30)8-14(18)40-27(41-26,11-5-15(36-3)20(32)16(6-11)37-4)24(19)39-25-23(35)22(34)21(33)17(9-28)38-25/h5-8,17,19,21-25,28,30-35H,9H2,1-4H3
HMDB29815	Doristerol	[H][C@@]1(CCC2=C3CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23,25,28H,6-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
HMDB41425	Isoleptospermone	CCC(C)C(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O	InChI=1S/C15H22O4/c1-7-8(2)10(16)9-11(17)14(3,4)13(19)15(5,6)12(9)18/h8-9H,7H2,1-6H3
HMDB41424	Atemoyacin B	CCCCCC(O)CCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O7/c1-3-4-11-17-28(36)18-14-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-13-10-8-6-5-7-9-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3
HMDB48436	TG(16:1(9Z)/15:0/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h19-20,22-23,49H,4-18,21,24-48H2,1-3H3/b22-19-,23-20-
HMDB10058	PIP2(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h8,10-11,13-14,16-18,20-21,39,42-47,50-52H,3-7,9,12,15,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10059	PIP2(18:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(O)(O)=O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H85O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h35,38-43,46-48H,3-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10056	PIP2(16:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C41H77O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h7,9,13,15,33,36-41,44-46H,3-6,8,10-12,14,16-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b9-7-,15-13-/t33-,36?,37?,38?,39+,40?,41+/m1/s1
HMDB10057	PIP2(16:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h8,10,14,16,35,38-43,46-48H,3-7,9,11-13,15,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b10-8-,16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10054	PIP2(16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h13-16,35,38-43,46-48H,3-12,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b15-13-,16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10055	PIP2(16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h14,16-18,35,38-43,46-48H,3-13,15,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-14-,18-17-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10052	PIP2(16:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H77O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h13-16,33,36-41,44-46H,3-12,17-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b15-13-,16-14-/t33-,36?,37?,38?,39+,40?,41+/m1/s1
HMDB10053	PIP2(16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h14,16,35,38-43,46-48H,3-13,15,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10050	PIP2(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-18,20-21,24,26,39,42-47,50-52H,3-4,6,8-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,18-17-,21-20-,26-24-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10051	PIP2(16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C41H79O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h13,15,33,36-41,44-46H,3-12,14,16-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b15-13-/t33-,36?,37?,38?,39+,40?,41+/m1/s1
HMDB11909	Ganglioside GM2 (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C64H114N2O26/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-42(73)41(66-48(76)30-28-26-24-22-19-16-14-12-10-8-6-2)37-85-61-54(81)53(80)56(46(35-69)87-61)89-62-55(82)59(57(47(36-70)88-62)90-60-40(31-38(3)71)50(77)52(79)45(34-68)86-60)92-64(63(83)84)32-43(74)49(65-39(4)72)58(91-64)51(78)44(75)33-67/h27,29,40-47,49-62,67-70,73-75,77-82H,5-26,28,30-37H2,1-4H3,(H,65,72)(H,66,76)(H,83,84)/b29-27+/t40-,41+,42-,43+,44-,45-,46-,47-,49-,50-,51-,52+,53-,54-,55-,56-,57+,58?,59-,60+,61-,62+,64+/m1/s1
HMDB11908	Ganglioside GM2 (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C76H138N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(88)78-53(54(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-97-73-66(93)65(92)68(58(47-81)99-73)101-74-67(94)71(69(59(48-82)100-74)102-72-52(43-50(3)83)62(89)64(91)57(46-80)98-72)104-76(75(95)96)44-55(86)61(77-51(4)84)70(103-76)63(90)56(87)45-79/h19-20,52-59,61-74,79-82,85-87,89-94H,5-18,21-49H2,1-4H3,(H,77,84)(H,78,88)(H,95,96)/b20-19-/t52-,53+,54-,55+,56-,57-,58-,59-,61-,62-,63-,64+,65-,66-,67-,68-,69+,70?,71-,72+,73-,74+,76+/m1/s1
HMDB11903	Ganglioside GM2 (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C73H134N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(85)75-50(51(82)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-94-70-63(90)62(89)65(55(44-78)96-70)98-71-64(91)68(66(56(45-79)97-71)99-69-49(40-47(3)80)59(86)61(88)54(43-77)95-69)101-73(72(92)93)41-52(83)58(74-48(4)81)67(100-73)60(87)53(84)42-76/h49-56,58-71,76-79,82-84,86-91H,5-46H2,1-4H3,(H,74,81)(H,75,85)(H,92,93)/t49-,50+,51-,52+,53-,54-,55-,56-,58-,59-,60-,61+,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,73+/m1/s1
HMDB11902	Ganglioside GM2 (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C72H130N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(84)74-49(50(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-93-69-62(89)61(88)64(54(43-77)95-69)97-70-63(90)67(65(55(44-78)96-70)98-68-48(39-46(3)79)58(85)60(87)53(42-76)94-68)100-72(71(91)92)40-51(82)57(73-47(4)80)66(99-72)59(86)52(83)41-75/h19-20,48-55,57-70,75-78,81-83,85-90H,5-18,21-45H2,1-4H3,(H,73,80)(H,74,84)(H,91,92)/b20-19-/t48-,49+,50-,51+,52-,53-,54-,55-,57-,58-,59-,60+,61-,62-,63-,64-,65+,66?,67-,68+,69-,70+,72+/m1/s1
HMDB11901	Ganglioside GM2 (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C72H132N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(84)74-49(50(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-93-69-62(89)61(88)64(54(43-77)95-69)97-70-63(90)67(65(55(44-78)96-70)98-68-48(39-46(3)79)58(85)60(87)53(42-76)94-68)100-72(71(91)92)40-51(82)57(73-47(4)80)66(99-72)59(86)52(83)41-75/h48-55,57-70,75-78,81-83,85-90H,5-45H2,1-4H3,(H,73,80)(H,74,84)(H,91,92)/t48-,49+,50-,51+,52-,53-,54-,55-,57-,58-,59-,60+,61-,62-,63-,64-,65+,66?,67-,68+,69-,70+,72+/m1/s1
HMDB11900	Ganglioside GM2 (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C70H128N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(82)72-47(48(79)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-91-67-60(87)59(86)62(52(41-75)93-67)95-68-61(88)65(63(53(42-76)94-68)96-66-46(37-44(3)77)56(83)58(85)51(40-74)92-66)98-70(69(89)90)38-49(80)55(71-45(4)78)64(97-70)57(84)50(81)39-73/h46-53,55-68,73-76,79-81,83-88H,5-43H2,1-4H3,(H,71,78)(H,72,82)(H,89,90)/t46-,47+,48-,49+,50-,51-,52-,53-,55-,56-,57-,58+,59-,60-,61-,62-,63+,64?,65-,66+,67-,68+,70+/m1/s1
HMDB11907	Ganglioside GM2 (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C76H140N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(88)78-53(54(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-97-73-66(93)65(92)68(58(47-81)99-73)101-74-67(94)71(69(59(48-82)100-74)102-72-52(43-50(3)83)62(89)64(91)57(46-80)98-72)104-76(75(95)96)44-55(86)61(77-51(4)84)70(103-76)63(90)56(87)45-79/h52-59,61-74,79-82,85-87,89-94H,5-49H2,1-4H3,(H,77,84)(H,78,88)(H,95,96)/t52-,53+,54-,55+,56-,57-,58-,59-,61-,62-,63-,64+,65-,66-,67-,68-,69+,70?,71-,72+,73-,74+,76+/m1/s1
HMDB11906	Ganglioside GM2 (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C75H138N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(87)77-52(53(84)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-96-72-65(92)64(91)67(57(46-80)98-72)100-73-66(93)70(68(58(47-81)99-73)101-71-51(42-49(3)82)61(88)63(90)56(45-79)97-71)103-75(74(94)95)43-54(85)60(76-50(4)83)69(102-75)62(89)55(86)44-78/h51-58,60-73,78-81,84-86,88-93H,5-48H2,1-4H3,(H,76,83)(H,77,87)(H,94,95)/t51-,52+,53-,54+,55-,56-,57-,58-,60-,61-,62-,63+,64-,65-,66-,67-,68+,69?,70-,71+,72-,73+,75+/m1/s1
HMDB11905	Ganglioside GM2 (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C74H134N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(86)76-51(52(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-95-71-64(91)63(90)66(56(45-79)97-71)99-72-65(92)69(67(57(46-80)98-72)100-70-50(41-48(3)81)60(87)62(89)55(44-78)96-70)102-74(73(93)94)42-53(84)59(75-49(4)82)68(101-74)61(88)54(85)43-77/h19-20,50-57,59-72,77-80,83-85,87-92H,5-18,21-47H2,1-4H3,(H,75,82)(H,76,86)(H,93,94)/b20-19-/t50-,51+,52-,53+,54-,55-,56-,57-,59-,60-,61-,62+,63-,64-,65-,66-,67+,68?,69-,70+,71-,72+,74+/m1/s1
HMDB11904	Ganglioside GM2 (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C74H134N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(86)76-51(52(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-95-71-64(91)63(90)66(56(45-79)97-71)99-72-65(92)69(67(57(46-80)98-72)100-70-50(41-48(3)81)60(87)62(89)55(44-78)96-70)102-74(73(93)94)42-53(84)59(75-49(4)82)68(101-74)61(88)54(85)43-77/h37,39,50-57,59-72,77-80,83-85,87-92H,5-36,38,40-47H2,1-4H3,(H,75,82)(H,76,86)(H,93,94)/b39-37+/t50-,51+,52-,53+,54-,55-,56-,57-,59-,60-,61-,62+,63-,64-,65-,66-,67+,68?,69-,70+,71-,72+,74+/m1/s1
HMDB04909	Ganglioside GA1 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60?,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1
HMDB04908	Ganglioside GA1 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C70H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-62(86)59(83)65(52(44-75)91-68)94-70-63(87)60(84)64(53(45-76)92-70)93-67-55(71-47(3)77)66(57(81)51(43-74)89-67)95-69-61(85)58(82)56(80)50(42-73)90-69/h38,40,48-53,55-70,73-76,78,80-87H,4-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58-,59+,60+,61+,62?,63+,64-,65+,66+,67-,68+,69-,70-/m0/s1
HMDB04905	Ganglioside GA1 (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C66H122N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(75)68-44(45(74)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-84-64-58(82)55(79)61(48(40-71)87-64)90-66-59(83)56(80)60(49(41-72)88-66)89-63-51(67-43(3)73)62(53(77)47(39-70)85-63)91-65-57(81)54(78)52(76)46(38-69)86-65/h34,36,44-49,51-66,69-72,74,76-83H,4-33,35,37-42H2,1-3H3,(H,67,73)(H,68,75)/b36-34+/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54-,55+,56+,57+,58?,59+,60-,61+,62+,63-,64+,65-,66-/m0/s1
HMDB04904	Ganglioside GA1 (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C64H118N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(73)66-42(43(72)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-82-62-56(80)53(77)59(46(38-69)85-62)88-64-57(81)54(78)58(47(39-70)86-64)87-61-49(65-41(3)71)60(51(75)45(37-68)83-61)89-63-55(79)52(76)50(74)44(36-67)84-63/h32,34,42-47,49-64,67-70,72,74-81H,4-31,33,35-40H2,1-3H3,(H,65,71)(H,66,73)/b34-32+/t42-,43+,44+,45+,46+,47+,49+,50-,51-,52-,53+,54+,55+,56?,57+,58-,59+,60+,61-,62+,63-,64-/m0/s1
HMDB04907	Ganglioside GA1 (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C70H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-62(86)59(83)65(52(44-75)91-68)94-70-63(87)60(84)64(53(45-76)92-70)93-67-55(71-47(3)77)66(57(81)51(43-74)89-67)95-69-61(85)58(82)56(80)50(42-73)90-69/h18-19,38,40,48-53,55-70,73-76,78,80-87H,4-17,20-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b19-18-,40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58-,59+,60+,61+,62?,63+,64-,65+,66+,67-,68+,69-,70-/m0/s1
HMDB04906	Ganglioside GA1 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H124N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h18-19,36,38,46-51,53-68,71-74,76,78-85H,4-17,20-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b19-18-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60?,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1
HMDB04901	Ganglioside GA1 (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-54(78)51(75)57(44(36-67)83-60)86-62-55(79)52(76)56(45(37-68)84-62)85-59-47(63-39(3)69)58(49(73)43(35-66)81-59)87-61-53(77)50(74)48(72)42(34-65)82-61/h18-19,30,32,40-45,47-62,65-68,70,72-79H,4-17,20-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b19-18-,32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58+,59-,60+,61-,62-/m0/s1
HMDB04900	Ganglioside GA1 (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC	InChI=1S/C56H102N2O23/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(64)34(58-40(65)27-25-23-21-18-13-11-9-7-5-2)32-74-54-48(72)45(69)51(38(30-61)77-54)80-56-49(73)46(70)50(39(31-62)78-56)79-53-41(57-33(3)63)52(43(67)37(29-60)75-53)81-55-47(71)44(68)42(66)36(28-59)76-55/h24,26,34-39,41-56,59-62,64,66-73H,4-23,25,27-32H2,1-3H3,(H,57,63)(H,58,65)/b26-24+/t34-,35+,36+,37+,38+,39+,41+,42-,43-,44-,45+,46+,47+,48?,49+,50-,51+,52+,53-,54+,55-,56-/m0/s1
HMDB04903	Ganglioside GA1 (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-54(78)51(75)57(44(36-67)83-60)86-62-55(79)52(76)56(45(37-68)84-62)85-59-47(63-39(3)69)58(49(73)43(35-66)81-59)87-61-53(77)50(74)48(72)42(34-65)82-61/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50-,51+,52+,53+,54?,55+,56-,57+,58+,59-,60+,61-,62-/m0/s1
HMDB04902	Ganglioside GA1 (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-52(76)49(73)55(42(34-65)81-58)84-60-53(77)50(74)54(43(35-66)82-60)83-57-45(61-37(3)67)56(47(71)41(33-64)79-57)85-59-51(75)48(72)46(70)40(32-63)80-59/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40+,41+,42+,43+,45+,46-,47-,48-,49+,50+,51+,52?,53+,54-,55+,56+,57-,58+,59-,60-/m0/s1
HMDB35330	Ganoderic acid Mf	CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-26(34)32(8)23-12-13-25-29(4,5)27(37-21(3)33)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+
HMDB44075	TG(16:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,31,34,50H,4-6,8-9,11-15,17-18,20,22-23,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,24-21-,26-25-,34-31-
HMDB02036	Chlorate	[O-][Cl](=O)=O	InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1
HMDB35339	Sterebin C	CC(=O)OC1C(O)C2C(C)(C)CCCC2(C)C(\C=C\C(C)=O)C1(C)O	InChI=1S/C20H32O5/c1-12(21)8-9-14-19(5)11-7-10-18(3,4)16(19)15(23)17(20(14,6)24)25-13(2)22/h8-9,14-17,23-24H,7,10-11H2,1-6H3/b9-8+
HMDB33501	Lyciumoside VII	CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(O)C(O)C3O)C=C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C44H74O21/c1-7-44(6,65-42-38(57)34(53)30(49)26(18-46)62-42)16-10-15-22(3)12-8-11-21(2)13-9-14-23(4)19-58-43-39(64-41-37(56)33(52)29(48)25(17-45)61-41)35(54)31(50)27(63-43)20-59-40-36(55)32(51)28(47)24(5)60-40/h7,11,14-15,24-43,45-57H,1,8-10,12-13,16-20H2,2-6H3/b21-11-,22-15+,23-14+
HMDB33500	Lyciumoside VI	CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C44H74O20/c1-8-44(7,64-43-38(56)34(52)39(26(18-45)61-43)63-42-37(55)32(50)29(47)25(6)60-42)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-36(54)33(51)30(48)27(62-41)20-58-40-35(53)31(49)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+
HMDB02032	8-Hydroxyguanine	NC1=NC2=C(NC(=O)N2)C(=O)N1	InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
HMDB07249	DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,37,40H,3-10,15-16,21-23,25,27-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,26-24-/t37-/m0/s1
HMDB07248	DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t37-/m0/s1
HMDB33505	(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid	CC\C=C/CC1OC1C(O)\C=C\CCCCCCCC(O)=O	InChI=1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h3,9-10,12,15-16,18-19H,2,4-8,11,13-14H2,1H3,(H,20,21)/b9-3-,12-10+
HMDB07243	DG(18:2(9Z,12Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38H,3-10,12,14-16,19-34H2,1-2H3/b13-11-,18-17-/t35-/m0/s1
HMDB07242	DG(18:2(9Z,12Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,34,37H,3-10,12,14-16,19-33H2,1-2H3/b13-11-,18-17-/t34-/m0/s1
HMDB07241	DG(18:2(9Z,12Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13,16-17,33,36H,3-9,14-15,18-32H2,1-2H3/b12-10-,13-11-,17-16-/t33-/m0/s1
HMDB07240	DG(18:2(9Z,12Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,33,36H,3-10,12,14-15,18-32H2,1-2H3/b13-11-,17-16-/t33-/m0/s1
HMDB07247	DG(18:2(9Z,12Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40H,3-10,12,14-16,21-36H2,1-2H3/b13-11-,19-17-,20-18-/t37-/m0/s1
HMDB07246	DG(18:2(9Z,12Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,37,40H,3-10,12,15,18,20-36H2,1-2H3/b13-11-,16-14-,19-17-/t37-/m0/s1
HMDB07245	DG(18:2(9Z,12Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40H,3-10,12,14-16,18,20-36H2,1-2H3/b13-11-,19-17-/t37-/m0/s1
HMDB07244	DG(18:2(9Z,12Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,35,38H,3-10,12,15,19-34H2,1-2H3/b13-11-,16-14-,18-17-/t35-/m0/s1
HMDB12340	PS(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C42H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,38-39H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-/t38-,39+/m1/s1
HMDB12341	PS(14:1(9Z)/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C34H64NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,30-31H,3-8,10,12-29,35H2,1-2H3,(H,38,39)(H,40,41)/b11-9-/t30-,31+/m1/s1
HMDB12342	PS(14:1(9Z)/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C34H62NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,30-31H,3-8,13-29,35H2,1-2H3,(H,38,39)(H,40,41)/b11-9-,12-10-/t30-,31+/m1/s1
HMDB12343	PS(14:1(9Z)/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C36H68NO10P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12,32-33H,3-9,11,13-31,37H2,1-2H3,(H,40,41)(H,42,43)/b12-10-/t32-,33+/m1/s1
HMDB12344	PS(14:1(9Z)/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C36H66NO10P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12-13,15,32-33H,3-9,11,14,16-31,37H2,1-2H3,(H,40,41)(H,42,43)/b12-10-,15-13-/t32-,33+/m1/s1
HMDB12958	Gamma-Tocotrienol	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
HMDB12346	PS(14:1(9Z)/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,16-17,34-35H,3-9,11,13-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b12-10-,17-16-/t34-,35+/m1/s1
HMDB12347	PS(14:1(9Z)/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C38H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,34-35H,3-9,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b12-10-,13-11-,17-16-/t34-,35+/m1/s1
HMDB12348	PS(14:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C38H66NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,34-35H,3-4,6,8-9,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,12-10-,13-11-,17-16-/t34-,35+/m1/s1
HMDB37864	4-Ethyl-5-pentyloxazole	CCCCCC1=C(CC)N=CO1	InChI=1S/C10H17NO/c1-3-5-6-7-10-9(4-2)11-8-12-10/h8H,3-7H2,1-2H3
HMDB56252	DG(22:1n9/0:0/24:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,47,50H,3-16,21-46H2,1-2H3/b19-17-,20-18-
HMDB56253	DG(22:1n9/0:0/18:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C44H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,24,42,45H,3-13,15,18,21-23,25-41H2,1-2H3/b16-14-,19-17-,24-20-
HMDB56250	DG(20:3n9/0:0/22:6n3)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-4,6,8-10,12,14-16,21,23,26,29,32,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-
HMDB56251	DG(22:1n9/0:0/22:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-
HMDB56256	DG(22:1n9/0:0/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,43,46H,3-11,13,15-16,21-24,26,28-42H2,1-2H3/b14-12-,19-17-,20-18-,27-25-
HMDB56257	DG(22:1n9/0:0/20:4n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,43,46H,3-11,13,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-
HMDB56254	DG(22:1n9/0:0/18:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,27,29,41,44H,3-11,13,15-16,20-22,24-26,28,30-40H2,1-2H3/b14-12-,19-17-,23-18-,29-27-
HMDB56255	DG(22:1n9/0:0/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C44H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h10,12,16-19,42,45H,3-9,11,13-15,20-41H2,1-2H3/b12-10-,18-16-,19-17-
HMDB56258	DG(22:1n9/0:0/22:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,45,48H,3-10,12,14-16,21-44H2,1-2H3/b13-11-,19-17-,20-18-
HMDB56259	DG(22:1n9/0:0/22:4n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-
HMDB50368	TG(20:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,38,41,47,50,60H,4-15,17-18,20-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,41-38-,50-47-
HMDB50369	TG(20:1(11Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,30,56H,4-7,9-10,12-16,18-19,21-24,27,29,31-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-
HMDB55787	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,13-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB55786	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-6,13-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB55781	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H90O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-45,58H,4-6,13-15,22-24,30-31,37-39,46-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB55780	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,40,43,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,43-40-
HMDB55783	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H92O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,13-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB55782	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-6,13-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB50360	TG(20:1(11Z)/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-
HMDB50361	TG(20:1(11Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32,57H,4-19,21-22,24,26-27,30-31,33-56H2,1-3H3/b23-20-,28-25-,32-29-
HMDB50362	TG(20:1(11Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,30,36,39,56H,4-16,18-19,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,28-25-,30-26-,39-36-
HMDB50363	TG(20:1(11Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,57H,4-13,15-16,18-22,24,27,29-56H2,1-3H3/b17-14-,26-23-,28-25-
HMDB50364	TG(20:1(11Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,58H,4-15,17-18,20-24,27,30-32,34,36-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-
HMDB50365	TG(20:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,41,44,58H,4-15,17-18,20-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,44-41-
HMDB50366	TG(20:1(11Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,60H,4-15,17-18,20-24,27,30-59H2,1-3H3/b19-16-,28-25-,29-26-
HMDB50367	TG(20:1(11Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,38,41,60H,4-15,17-18,20-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,41-38-
HMDB02994	Erythritol	OC[C@H](O)[C@H](O)CO	InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
HMDB02995	12-Keto-tetrahydro-leukotriene B4	CCCCCCCCC(=O)CC\C=C\C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,11,15,19,22H,2-6,9-10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,15-11-/t19-/m1/s1
HMDB02991	Cysteamine	NCCS	InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
HMDB02992	S-2-Octenoyl CoA	CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+
HMDB56780	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t79?,80-,81-/m1/s1
HMDB56781	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56782	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56783	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-20,23-24,27-32,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB56784	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,36-37,40-43,49-50,53-54,61,65,81-83,88H,5-9,11-13,15-20,23-24,27-32,35,38-39,44-48,51-52,55-60,62-64,66-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-/t81?,82-,83-/m1/s1
HMDB56785	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,27-29,31-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB56786	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,27,29,31,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB56787	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-20,23-24,28-30,32,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t79?,80-,81-/m1/s1
HMDB53556	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,38,41,47,50,59H,4-8,10-11,13,15,20,22,24,29-30,34-37,39-40,42-46,48-49,51-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,50-47-
HMDB53557	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,38-39,41-42,47,50,59H,4-8,10-11,13,15,20,22,24,29-30,34-37,40,43-46,48-49,51-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,42-39-,50-47-
HMDB53554	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33-36,41-42,44-45,51,54,63H,4-14,21-23,30-32,37-40,43,46-50,52-53,55-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,54-51-
HMDB53555	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33-36,41-42,44-45,50-51,53-54,63H,4-14,21-23,30-32,37-40,43,46-49,52,55-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,53-50-,54-51-
HMDB53552	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,36,39-40,43,45,48-49,52,61H,4-14,21-23,30-31,33,35,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-,52-49-
HMDB53553	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34,36,42,45,51,54,63H,4-14,21-23,30-33,35,37-41,43-44,46-50,52-53,55-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,45-42-,54-51-
HMDB53550	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14-19,23-28,32-33,39,42,48,51,60H,4-13,20-22,29-31,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,33-32-,42-39-,51-48-
HMDB53551	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,36,39-40,43,49,52,61H,4-14,21-23,30-31,33,35,37-38,41-42,44-48,50-51,53-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,52-49-
HMDB53558	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,36,39-40,43,49,52,61H,4-7,9-10,12-14,21-23,30-31,33,35,37-38,41-42,44-48,50-51,53-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,52-49-
HMDB53559	TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,36,39-40,43,45,48-49,52,61H,4-7,9-10,12-14,21-23,30-31,33,35,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-,52-49-
HMDB47250	TG(24:0/18:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36,62H,4-25,28,30-35,37-61H2,1-3H3/b29-26-,36-27-
HMDB50098	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8-9,11-15,18,21-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB47251	TG(24:0/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h26-27,29,36-37,39,45,48,62H,4-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b29-26-,36-27-,39-37-,48-45-
HMDB50096	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-34,36-37,43,46,58H,4-6,8-9,11-15,18,21-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB50097	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,18,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB50094	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-32,35,41,44,56H,4-7,9-10,12-15,18,21-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,44-41-
HMDB50095	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-7,9-10,12-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB50092	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-34,36,38-39,41,45,48,60H,4-15,18,21-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB47252	TG(24:0/18:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-
HMDB50091	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34,36,39,45,48,60H,4-15,18,21-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB47253	TG(24:0/18:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,40,66H,4-24,26,29-39,41-65H2,1-3H3/b28-25-,40-27-
HMDB54788	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-7,9-10,12-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-
HMDB54789	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-7,9-10,12-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB54786	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-33,36,39-40,43,58H,4-7,9-10,12-15,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-
HMDB47254	TG(24:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,35-36,61H,4-19,21-22,24-26,28,30-34,37-60H2,1-3H3/b23-20-,35-27-,36-29-
HMDB54784	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,39-40,42-44,47,62H,4-15,22-24,30-31,37-38,41,45-46,48-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-
HMDB54785	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,39-40,42-44,47-48,51,62H,4-15,22-24,30-31,37-38,41,45-46,49-50,52-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-
HMDB54782	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,40-41,43-44,49,52,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,43-40-,44-41-,52-49-
HMDB54783	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-34,37,40,60H,4-15,17-18,21-22,24,26-27,30-31,35-36,38-39,41-59H2,1-3H3/b19-16-,23-20-,28-25-,33-32-,34-29-,40-37-
HMDB54780	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-36,38-39,42,44,47,61H,4-7,9-10,12-15,18,22-23,27,31,33,37,40-41,43,45-46,48-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,47-44-
HMDB47255	TG(24:0/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,26-27,34-35,40,43,60H,4-16,18-19,21-25,28-33,36-39,41-42,44-59H2,1-3H3/b20-17-,34-26-,35-27-,43-40-
HMDB00738	Indole	N1C=CC2=C1C=CC=C2	InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
HMDB00739	Isodesmosine	NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1CCCC(N)C(O)=O)C(O)=O	InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1
HMDB47256	TG(24:0/18:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,35,61H,4-13,15-16,18-22,24-25,28-34,36-60H2,1-3H3/b17-14-,26-23-,35-27-
HMDB00732	Hydroxykynurenine	NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O	InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
HMDB00733	Hyodeoxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)C2C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20?,21+,23-,24-/m1/s1
HMDB00730	Isobutyrylglycine	CC(C)C(=O)NCC(O)=O	InChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
HMDB00731	Cysteine-S-sulfate	N[C@@H](CSS(O)(=O)=O)C(O)=O	InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
HMDB00736	Isobutyryl-L-carnitine	CC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3
HMDB00737	Heptacarboxylporphyrin I	CC1=C(CCC(O)=O)\C2=C\C3=C(CC(O)=O)C(CCC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N\C(=C/C1=N2)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O	InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-30-23(11-38(54)55)20(4-8-35(48)49)28(42-30)16-32-24(12-39(56)57)21(5-9-36(50)51)29(43-32)15-31-22(10-37(52)53)19(3-7-34(46)47)27(41-31)13-25(17)40-26/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-13-,28-16-,29-15-,30-14-,31-15-,32-16-
HMDB00734	Indoleacrylic acid	OC(=O)\C=C\C1=CC2=C(N1)C=CC=C2	InChI=1S/C11H9NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-7,12H,(H,13,14)/b6-5+
HMDB00735	Hydroxyphenylacetylglycine	OC(=O)CNC(=O)CC1=CC=C(O)C=C1	InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
HMDB59416	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,49-50,53-54,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-48,51-52,55-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-/t83?,84-,85-/m1/s1
HMDB04296	Acrylamide	NC(=O)C=C	InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
HMDB04291	5-Pyridoxolactone	CC1=NC=C2C(=O)OCC2=C1O	InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3
HMDB04290	Isopyridoxal	CC1=NC=C(C=O)C(CO)=C1O	InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3
HMDB54409	TG(22:2(13Z,16Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB54408	TG(22:2(13Z,16Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,48-45-
HMDB52209	TG(24:1(15Z)/20:3n6/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,40-41,43,64H,4-16,19,22-24,31-37,39,42,44-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-
HMDB52208	TG(24:1(15Z)/20:3n6/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,39,42,63H,4-14,16,19,21-23,30-38,40-41,43-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,42-39-
HMDB06677	Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc	CC1OC(OC(C(O)C=O)C(OC2OC(CO)C(O)C(OC3OC(COC4CC(O)C(NC(C)=O)C(O4)C(O)C(O)CO)C(O)C(OC4OC(CO)C(O)C(OC5(CC(O)C(NC(C)=O)C(O5)C(O)C(O)CO)C(O)=O)C4O)C3NC(C)=O)C2O)C(O)CO)C(O)C(O)C1O	InChI=1S/C53H89N3O39/c1-14-31(72)37(78)38(79)49(85-14)90-41(22(70)9-59)42(23(71)10-60)91-50-39(80)46(34(75)24(11-61)86-50)93-48-30(56-17(4)65)44(36(77)26(88-48)13-84-27-5-18(66)28(54-15(2)63)43(89-27)32(73)20(68)7-57)92-51-40(81)47(35(76)25(12-62)87-51)95-53(52(82)83)6-19(67)29(55-16(3)64)45(94-53)33(74)21(69)8-58/h9,14,18-51,57-58,60-62,66-81H,5-8,10-13H2,1-4H3,(H,54,63)(H,55,64)(H,56,65)(H,82,83)
HMDB06676	Disialyllacto-N-fucopentaose II	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](OC2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)C1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C54H89N3O41/c1-14-30(73)36(79)37(80)48(88-14)93-41-26(13-87-53(51(83)84)5-18(67)27(55-15(2)64)42(96-53)32(75)21(70)8-59)91-47(95-45-34(77)24(11-62)89-49(38(45)81)92-40(23(72)10-61)31(74)20(69)7-58)29(57-17(4)66)44(41)94-50-39(82)46(35(78)25(12-63)90-50)98-54(52(85)86)6-19(68)28(56-16(3)65)43(97-54)33(76)22(71)9-60/h7,14,18-50,59-63,67-82H,5-6,8-13H2,1-4H3,(H,55,64)(H,56,65)(H,57,66)(H,83,84)(H,85,86)/t14-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36+,37?,38+,39+,40+,41+,42+,43+,44+,45?,46-,47-,48-,49-,50-,53+,54-/m0/s1
HMDB52201	TG(24:1(15Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,38,40,46,49,63H,4-7,9-10,12-14,16,19,21-23,30-37,39,41-45,47-48,50-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,40-38-,49-46-
HMDB07283	DG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,25,27,39,42H,3-10,15-16,20,22-24,26,28-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1
HMDB52203	TG(24:1(15Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,35,37,42,45,51,54,65H,4-7,9-10,12-14,16,19,21-23,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,37-35-,45-42-,54-51-
HMDB52202	TG(24:1(15Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,35,37,42,45,65H,4-7,9-10,12-14,16,19,21-23,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,37-35-,45-42-
HMDB52205	TG(24:1(15Z)/20:3n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,44,47,68H,4-17,19-20,22-24,31-43,45-46,48-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,47-44-
HMDB52204	TG(24:1(15Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-39-42-45-48-51-54-57-63(65)68-61-62(60-67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)69-64(66)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,62H,4-13,15-16,18-22,24,27,29-61H2,1-3H3/b17-14-,26-23-,28-25-
HMDB52207	TG(24:1(15Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,38,41-42,45,62H,4-16,19,22-24,30-35,37,39-40,43-44,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-
HMDB12309	Vanillylamine	COC1=CC(CN)=CC=C1O	InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3
HMDB54128	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,42,45,58H,4-6,8-9,11-15,18,21-24,30-31,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-
HMDB54122	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,41-42,44-45,58H,4-15,18,21-24,30-31,37-40,43,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
HMDB04122	Selenocystine	NC(C[Se][Se]CC(N)C(O)=O)C(O)=O	InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
HMDB54120	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB54121	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,34,40,43,57H,4-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-56H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,43-40-
HMDB54127	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-32,34,36,39-40,43,56H,4-7,9-10,12-15,18,21-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB54124	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB54125	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-15,18,21-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB40659	Hoduloside VII	CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(CO)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(O)C(O)C1O	InChI=1S/C47H78O18/c1-22-31(51)34(54)37(57)40(62-22)65-38-32(52)25(50)20-60-41(38)64-29-13-16-44(6)27(43(29,4)5)12-17-45(7)28(44)11-10-23-30(46(8,59)15-9-14-42(2,3)58)24(49)18-47(23,45)21-61-39-36(56)35(55)33(53)26(19-48)63-39/h9,14,22-23,25-41,48,50-59H,10-13,15-21H2,1-8H3/b14-9+
HMDB40658	Hoduloside VI	CC(C)(O)\C=C\CC(C)(O)C1C2CCC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(COC2OC(CO)C(O)C(O)C2O)CC1=O	InChI=1S/C41H68O14/c1-36(2,50)13-8-14-40(7,51)28-21-9-10-26-38(5)15-12-27(55-34-32(48)29(45)23(44)19-52-34)37(3,4)25(38)11-16-39(26,6)41(21,17-22(28)43)20-53-35-33(49)31(47)30(46)24(18-42)54-35/h8,13,21,23-35,42,44-51H,9-12,14-20H2,1-7H3/b13-8+
HMDB12305	UDP-L-rhamnose	C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1
HMDB40655	Mabioside D	CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C)(O)C(CC=C(C)C)OC6(O)C(O)C54C)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C42H70O14/c1-19(2)10-13-26-41(9,50)33-21-11-12-24-38(6)16-15-25(37(4,5)23(38)14-17-39(24,7)40(21,8)36(49)42(33,51)56-26)55-35-32(48)30(46)28(44)22(54-35)18-52-34-31(47)29(45)27(43)20(3)53-34/h10,20-36,43-51H,11-18H2,1-9H3
HMDB40654	Mabioside E	CC1OC(OC2C(O)C(OC3OC(CO)C(O)C(O)C3O)C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)OS(O)(=O)=O)C(O)C(C)=C)C3(C)C)OC2CO)C(O)C(O)C1O	InChI=1S/C48H78O22S/c1-20(2)29(51)23-15-46(8,70-71(59,60)61)39-22-9-10-27-44(6)13-12-28(43(4,5)26(44)11-14-45(27,7)47(22)18-48(39,69-23)62-19-47)66-42-38(68-41-35(57)33(55)31(53)24(16-49)64-41)36(58)37(25(17-50)65-42)67-40-34(56)32(54)30(52)21(3)63-40/h21-42,49-58H,1,9-19H2,2-8H3,(H,59,60,61)
HMDB40657	Cryptocapsone	C\C(\C=C\C=C(/C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24-,30-16+,31-17+,32-20+,33-21+
HMDB40656	Idoxanthin	C\C(\C=C/C=C(/C)\C=C\C1=C(C)C(O)C(O)CC1(C)C)=C/C=C/C=C(/C)\C=C/C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C	InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13-,18-14-,23-21+,24-22+,27-15+,28-16-,29-19-,30-20-
HMDB40651	Gibberellin A91	CC12CC(O)C(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-12(11(17)14(22)23)16(2,15(24)26-19)6-9(20)13(19)21/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)
HMDB40650	3-trans-Caffeoyltormentic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC=C(O)C(O)=C6)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O	InChI=1S/C39H54O8/c1-22-14-17-39(33(44)45)19-18-36(5)24(31(39)38(22,7)46)10-12-29-35(4)21-27(42)32(34(2,3)28(35)15-16-37(29,36)6)47-30(43)13-9-23-8-11-25(40)26(41)20-23/h8-11,13,20,22,27-29,31-32,40-42,46H,12,14-19,21H2,1-7H3,(H,44,45)/b13-9+
HMDB40653	Mabioside C	CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6=C(COC(=O)C54C)C(CC=C(C)C)OC6=O)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C42H64O14/c1-19(2)9-11-23-21-17-52-38(50)42(8)22(28(21)35(49)54-23)10-12-26-40(6)15-14-27(39(4,5)25(40)13-16-41(26,42)7)56-37-34(48)32(46)30(44)24(55-37)18-51-36-33(47)31(45)29(43)20(3)53-36/h9,20,22-27,29-34,36-37,43-48H,10-18H2,1-8H3
HMDB40652	3-Hydroxy-28,13-lupanolide	CC(C)C1CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC45C)(OC2=O)C13	InChI=1S/C30H48O3/c1-18(2)19-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,23(19)29)33-24(29)32/h18-23,31H,8-17H2,1-7H3
HMDB51572	TG(22:1(13Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,32,38,41,58H,4-7,9-10,12-16,18-19,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,32-26-,41-38-
HMDB51573	TG(22:1(13Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,35,37,60H,4-7,9-10,12-16,18-19,22-23,27,30-34,36,38-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-35-
HMDB51570	TG(22:1(13Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,32,34,39,42,48,51,62H,4-15,17-18,20,22-23,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB51571	TG(22:1(13Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28,32,58H,4-7,9-10,12-16,18-19,22-23,27,29-31,33-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,32-26-
HMDB51576	TG(22:1(13Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,32,34,39,42,48,51,62H,4-6,8-9,11-15,17-18,20,22-23,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB51577	TG(22:1(13Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h21,24-25,28,59H,4-20,22-23,26-27,29-58H2,1-3H3/b24-21-,28-25-
HMDB51574	TG(22:1(13Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,35,37,43,46,60H,4-7,9-10,12-16,18-19,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-35-,46-43-
HMDB51575	TG(22:1(13Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,32,34,39,42,62H,4-6,8-9,11-15,17-18,20,22-23,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,42-39-
HMDB51578	TG(22:1(13Z)/18:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-
HMDB51579	TG(22:1(13Z)/18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,38,64H,4-24,30-37,39-63H2,1-3H3/b28-25-,29-26-,38-27-
HMDB12302	UDP-D-galacturonate	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8-,9-,10-,11+,12-,14-/m1/s1
HMDB07288	DG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27-28,30,39,42H,3-4,6,8-10,15-16,20,23,26,29,31-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1
HMDB35831	Antheraxanthin A	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20-
HMDB35830	Genipin	COC(=O)C1=COC(O)C2C1CC=C2CO	InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3
HMDB35833	p-Menth-1-en-4-ol	CC(C)C1(O)CCC(C)=CC1	InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
HMDB35832	Norbixin	CC(C=CC=C(C)C=CC(O)=O)=CC=CC=C(C)C=CC=C(C)C=CC(O)=O	InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+
HMDB35835	Furanoeremophilane	CC1CCCC2CC3=C(CC12C)C(C)=CO3	InChI=1S/C15H22O/c1-10-9-16-14-7-12-6-4-5-11(2)15(12,3)8-13(10)14/h9,11-12H,4-8H2,1-3H3
HMDB35834	Lucidone B	CC(=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C24H32O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16,26H,7-11H2,1-6H3
HMDB35837	Citronellic acid	CC(CCC=C(C)C)CC(O)=O	InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
HMDB35836	Rubixanthin	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C)C(C)(C)C1	InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1
HMDB35839	(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol	C\C(=C\CO)C1CCC(C)(C)O1	InChI=1S/C10H18O2/c1-8(5-7-11)9-4-6-10(2,3)12-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-
HMDB35838	Piperitol	CC(C)C1CCC(C)=CC1O	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3
HMDB29247	Delphinidin 3-(6''-malonyl-glucoside)	O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p+1/t16-,20-,21+,22-,24-/m1/s1
HMDB29246	Cyanidin 3-O-(2&quot;-xylosyl-6&quot;-(6&quot;'-feruloyl-glucosyl)-galactoside)	[H]OC1=C([H])C(O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C5=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C5[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])OC([H])([H])C3([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C42H46O23/c1-57-25-8-16(2-5-21(25)45)3-7-30(48)58-13-28-31(49)34(52)37(55)41(64-28)60-15-29-32(50)35(53)39(59-14-27-33(51)36(54)40(56)62-27)42(65-29)63-26-12-19-22(46)10-18(43)11-24(19)61-38(26)17-4-6-20(44)23(47)9-17/h2-12,27-29,31-37,39-42,49-56H,13-15H2,1H3,(H4-,43,44,45,46,47,48)/p+1/t27?,28-,29-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41-,42-/m1/s1
HMDB29245	Cyanidin 3-O-(2&quot;-xylosyl-6&quot;-(6&quot;'-sinapoyl-glucosyl)-galactoside)	[H]OC1=C([H])C(O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C5=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C5[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])OC([H])([H])C3([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C43H48O24/c1-58-24-7-16(8-25(59-2)31(24)49)3-6-30(48)60-13-28-32(50)35(53)38(56)42(66-28)62-15-29-33(51)36(54)40(61-14-27-34(52)37(55)41(57)64-27)43(67-29)65-26-12-19-21(46)10-18(44)11-23(19)63-39(26)17-4-5-20(45)22(47)9-17/h3-12,27-29,32-38,40-43,50-57H,13-15H2,1-2H3,(H4-,44,45,46,47,48,49)/p+1/t27?,28-,29-,32-,33+,34+,35+,36+,37-,38-,40-,41-,42-,43-/m1/s1
HMDB09528	PE(22:1(13Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45H,3-11,13,15-16,21-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-/t45-/m1/s1
HMDB09529	PE(22:1(13Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17-20,26,28,32,34,45H,3-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
HMDB29244	Cyanidin 3-O-(2&quot;-xylosyl-6&quot;-(6&quot;'-caffeoyl-glucosyl)-galactoside)	[H]OC1=C([H])C(O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C5=C([H])C([H])=C(O[H])C(O[H])=C5[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])OC([H])([H])C3([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C41H44O23/c42-17-9-21(45)18-11-25(37(60-24(18)10-17)16-3-5-20(44)23(47)8-16)62-41-38(58-13-26-32(51)35(54)39(56)61-26)34(53)31(50)28(64-41)14-59-40-36(55)33(52)30(49)27(63-40)12-57-29(48)6-2-15-1-4-19(43)22(46)7-15/h1-11,26-28,30-36,38-41,49-56H,12-14H2,(H5-,42,43,44,45,46,47,48)/p+1/t26?,27-,28-,30-,31+,32+,33+,34+,35-,36-,38-,39-,40-,41-/m1/s1
HMDB09520	PE(22:1(13Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,43H,3-13,15,18,20-42,46H2,1-2H3,(H,49,50)/b16-14-,19-17-/t43-/m1/s1
HMDB09521	PE(22:1(13Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17-19,23,43H,3-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b19-17-,23-18-/t43-/m1/s1
HMDB09522	PE(22:1(13Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,43H,3-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-/t43-/m1/s1
HMDB09523	PE(22:1(13Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,28,30,43H,3-11,13,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-,30-28-/t43-/m1/s1
HMDB09524	PE(22:1(13Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,43H,3-5,7,9-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-/t43-/m1/s1
HMDB09525	PE(22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,28,30,43H,3-5,7,9-11,13,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-,30-28-/t43-/m1/s1
HMDB09526	PE(22:1(13Z)/20:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1
HMDB09527	PE(22:1(13Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17-20,45H,3-16,21-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-/t45-/m1/s1
HMDB56215	DG(18:1n9/0:0/22:6n3)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-
HMDB29241	Peonidin 3-(6''-malonyl-glucoside)	[H]OC(=O)C([H])([H])C(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C([O+]=C2C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2[H])C([H])=C(O[H])C([H])=C3O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18-,21-,22+,23-,25-/m1/s1
HMDB58772	CL(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,29,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB29240	Pinotin A	[H]OC1=C([H])C2=C3C(OC(=C([H])C3=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]2)C2=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C2[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])=C1[H]	InChI=1S/C31H28O14/c1-40-21-6-13(7-22(41-2)25(21)36)29-30(45-31-28(39)27(38)26(37)23(11-32)44-31)15-10-18(12-3-4-16(34)17(35)5-12)42-19-8-14(33)9-20(43-29)24(15)19/h3-10,23,26-28,31-32,37-39H,11H2,1-2H3,(H3-,33,34,35,36)/p+1/t23-,26-,27+,28-,31+/m1/s1
HMDB58771	CL(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,41-43,45,53,57,78-80,85H,5-20,22-24,28-29,32,34-35,39-40,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB33378	cis-3-Hexenyl hexanoate	CCCCCC(=O)OCC\C=C/CC	InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
HMDB33379	cis-3-Hexenyl benzoate	CC\C=C/CCOC(=O)C1=CC=CC=C1	InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-
HMDB35784	Aloinoside B	CC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3
HMDB35783	(+)-Menthone	CC(C)[C@H]1CC[C@H](C)CC1=O	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
HMDB35782	Esculentic acid (Diplazium)	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O	InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)
HMDB35781	Naematolone	CC(=O)OC1\C=C(C)/C(=O)C(O)C2C(CC2(C)C)C(=C)C1=O	InChI=1S/C17H22O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-13,16,21H,2,7H2,1,3-5H3/b8-6-
HMDB35780	8-Hydroxy-4(6)-lactarene-5,14-diol	CC1C=C(CO)C(CO)C(O)C2CC(C)(C)CC12	InChI=1S/C15H26O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,9,11-14,16-18H,5-8H2,1-3H3
HMDB33370	Ethyl cellulose	CCOCC1OC(OC)C(OCC)C(OCC)C1OC1OC(CO)C(OC)C(O)C1O	InChI=1S/C20H38O11/c1-6-26-10-12-16(17(27-7-2)18(28-8-3)20(25-5)30-12)31-19-14(23)13(22)15(24-4)11(9-21)29-19/h11-23H,6-10H2,1-5H3
HMDB33371	Citronellyl formate	CC(CCOC=O)CCC=C(C)C	InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3
HMDB33372	Stearoyllactic acid	CCCCCCCCCCCCCCCCCC(=O)OC(C)C(O)=O	InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h19H,3-18H2,1-2H3,(H,23,24)
HMDB33373	2-Ethyl-1-hexanol, 9CI; ()-form, O-Sulfate	CCCCC(CC)COS(O)(=O)=O	InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)
HMDB33374	Glycine; Benzyl ester, 4-methylbenzenesulfonate salt	CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)OCC1=CC=CC=C1	InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)
HMDB33375	Octyl gallate	CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
HMDB33376	Phenylmethyl butanoate	CCCC(=O)OCC1=CC=CC=C1	InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
HMDB33377	cis-3-Hexenyl butyrate	CCCC(=O)OCC\C=C/CC	InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
HMDB58959	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-69,71-73,88-90,95H,5-8,11-12,15-20,24,29-31,36,41-43,51-54,58,62-66,70,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB46718	TG(22:0/20:3n6/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,37,40,61H,4-14,16,19,21-23,25,28,30-36,38-39,41-60H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,40-37-
HMDB46719	TG(22:0/20:3n6/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36,38-39,41,62H,4-16,19,22-25,28,31-35,37,40,42-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-38-
HMDB46716	TG(22:0/20:3n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,37,40,61H,4-16,18-19,22-23,25,27-28,31-34,36,38-39,41-60H2,1-3H3/b20-17-,24-21-,29-26-,35-30-,40-37-
HMDB46717	TG(22:0/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,39-40,43,60H,4-16,19,22-25,28,30-33,35,37-38,41-42,44-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,39-36-,43-40-
HMDB46714	TG(22:0/20:3n6/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,64H,4-17,19-20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b21-18-,28-25-,30-27-,43-40-
HMDB46715	TG(22:0/20:3n6/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,42,45,66H,4-17,19-20,22-24,26,29,31-41,43-44,46-65H2,1-3H3/b21-18-,28-25-,30-27-,45-42-
HMDB46712	TG(22:0/20:3n6/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,41,62H,4-17,19-20,22-25,28,31-37,39-40,42-61H2,1-3H3/b21-18-,29-26-,30-27-,41-38-
HMDB46713	TG(22:0/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,38-39,41,45,48,62H,4-17,19-20,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b21-18-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB46710	TG(22:0/20:3n6/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,36,39,60H,4-16,18-19,22-23,25,27-28,30-35,37-38,40-59H2,1-3H3/b20-17-,24-21-,29-26-,39-36-
HMDB46711	TG(22:0/20:3n6/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,36,39,60H,4-16,18-19,21-25,28,30-33,35,37-38,40-59H2,1-3H3/b20-17-,29-26-,34-27-,39-36-
HMDB58779	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-38,40-41,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB44624	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,42-39-,51-48-
HMDB44625	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,44-41-,53-50-
HMDB44626	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,36,39,45,48,57H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,39-36-,48-45-
HMDB44627	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37-38,40,44,47,56H,4-6,8-9,11-15,18,21-24,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-
HMDB44620	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,38-35-,47-44-
HMDB44621	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,38-35-,47-44-
HMDB44622	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,40-37-,49-46-
HMDB44623	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,17-18,20-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB58953	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB44628	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,36,39,45,48,57H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,39-36-,48-45-
HMDB44629	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,40,46,49,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-
HMDB50820	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-36,39,41,44,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-
HMDB50827	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-36,39,41,44,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-
HMDB45198	TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,45,48,60H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB50826	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,39-40,42-43,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-38,41,44-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-
HMDB41292	Mangostinone	CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC3=C(C=CC=C3O)C2=O)C=C1O	InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+
HMDB41293	6-Hydroxy-alpha-pyrufuran	COC1=C(OC)C(O)=C(OC)C2=C1OC1=C2C=CC=C1O	InChI=1S/C15H14O6/c1-18-12-9-7-5-4-6-8(16)11(7)21-13(9)15(20-3)14(19-2)10(12)17/h4-6,16-17H,1-3H3
HMDB41290	1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone	COC1=CC=C(O)C2=C1OC1=CC(OC)=C(CC=C(C)C)C(O)=C1C2=O	InChI=1S/C20H20O6/c1-10(2)5-6-11-14(25-4)9-15-17(18(11)22)19(23)16-12(21)7-8-13(24-3)20(16)26-15/h5,7-9,21-22H,6H2,1-4H3
HMDB41291	r-Viniferin	OC1=CC=C(C=C1)C1OC2=C(C1C1=CC(O)=CC(O)=C1)C(\C=C/C1=CC3=C(OC(C3C3=CC(O)=CC4=C3C(C(O4)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=CC=C(O)C=C3)C=C1)=CC(O)=C2	InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1-
HMDB41296	Moracin K	CC1(C)OC2=C(C=C1)C1=C(C=C(O1)C1=CC(O)=CC(O)=C1)C=C2O	InChI=1S/C19H16O5/c1-19(2)4-3-14-17-11(7-15(22)18(14)24-19)8-16(23-17)10-5-12(20)9-13(21)6-10/h3-9,20-22H,1-2H3
HMDB41297	Moracin L	CC1=CCC2=C(OC1)C(O)=CC1=C2OC(=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C19H16O5/c1-10-2-3-15-18-12(6-16(22)19(15)23-9-10)7-17(24-18)11-4-13(20)8-14(21)5-11/h2,4-8,20-22H,3,9H2,1H3
HMDB41294	6-Methoxy-alpha-pyrufuran	COC1=CC=CC2=C1OC1=C2C(OC)=C(O)C(OC)=C1OC	InChI=1S/C16H16O6/c1-18-9-7-5-6-8-10-13(19-2)11(17)15(20-3)16(21-4)14(10)22-12(8)9/h5-7,17H,1-4H3
HMDB41295	7-Hydroxy-6-methoxy-alpha-pyrufuran	COC1=C(O)C=CC2=C1OC1=C2C(OC)=C(O)C(OC)=C1OC	InChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3
HMDB41298	Moracin N	CC(C)=CCC1=CC2=C(OC(=C2)C2=CC(O)=CC(O)=C2)C=C1O	InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3
HMDB41299	omega-Hydroxymoracin N	C\C(CO)=C\CC1=CC2=C(OC(=C2)C2=CC(O)=CC(O)=C2)C=C1O	InChI=1S/C19H18O5/c1-11(10-20)2-3-12-4-13-7-18(24-19(13)9-17(12)23)14-5-15(21)8-16(22)6-14/h2,4-9,20-23H,3,10H2,1H3/b11-2-
HMDB59095	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)78-98-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43-44,46,48-50,52,55,58-59,62,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,45,47,51,53-54,56-57,60-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-/t81?,82-,83-/m1/s1
HMDB59094	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,46,48-50,52,54,57,60-61,64,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,47,51,53,55-56,58-59,62-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-/t83?,84-,85-/m1/s1
HMDB39039	Apiumetin; (R)-form, O-b-D-Glucopyranoside	CC(=C)C1CC2=CC3=C(OC(=O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)=C2O1	InChI=1S/C20H22O9/c1-8(2)11-6-10-5-9-3-4-13(22)28-17(9)19(18(10)26-11)29-20-16(25)15(24)14(23)12(7-21)27-20/h3-5,11-12,14-16,20-21,23-25H,1,6-7H2,2H3
HMDB39038	2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; (1'x,2S)-form, 2'-O-b-D-Glucopyranoside	CC(O)(COC1OC(CO)C(O)C(O)C1O)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2	InChI=1S/C20H24O10/c1-20(26,8-27-19-18(25)17(24)16(23)13(7-21)30-19)14-5-10-4-9-2-3-15(22)29-11(9)6-12(10)28-14/h2-4,6,13-14,16-19,21,23-26H,5,7-8H2,1H3
HMDB03559	Gibberellin A3	[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)[C@@H](O)C=C[C@@]21OC3=O	InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16+,17+,18+,19-/m1/s1
HMDB39035	Necatorine	OC1=CC2=C(C=CC(=O)O2)C2=C1C1=C(C=CC=C1)N=N2	InChI=1S/C15H8N2O3/c18-11-7-12-9(5-6-13(19)20-12)15-14(11)8-3-1-2-4-10(8)16-17-15/h1-7,18H
HMDB03556	Chitobiose	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(O)=O)[C@@H]1O	InChI=1S/C15H26N2O12/c1-4(20)16-7-11(23)12(6(3-19)27-13(7)24)29-14-8(17-15(25)26)10(22)9(21)5(2-18)28-14/h5-14,17-19,21-24H,2-3H2,1H3,(H,16,20)(H,25,26)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14+/m1/s1
HMDB03555	Vitamin K1	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O	InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+
HMDB39036	Kamolonol	CC1CC(O)C2(C)C(C)C(=O)CCC2C1(C)COC1=CC2=C(C=CC(=O)O2)C=C1	InChI=1S/C24H30O5/c1-14-11-21(26)24(4)15(2)18(25)8-9-20(24)23(14,3)13-28-17-7-5-16-6-10-22(27)29-19(16)12-17/h5-7,10,12,14-15,20-21,26H,8-9,11,13H2,1-4H3
HMDB03553	Stachyose	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
HMDB39030	trans-Grandmarin	COC1=CC2=C(C(O)C(O)C(C)(C)O2)C2=C1C=CC(=O)O2	InChI=1S/C15H16O6/c1-15(2)14(18)12(17)11-9(21-15)6-8(19-3)7-4-5-10(16)20-13(7)11/h4-6,12,14,17-18H,1-3H3
HMDB39033	Kinocoumarin	CC(C)(C=C)C1=C2OC(C)(C)C(=CC2=C(O)C2=C1OC(=O)C=C2)C(C)(C)C=C	InChI=1S/C24H28O4/c1-9-22(3,4)16-13-15-19(26)14-11-12-17(25)27-20(14)18(23(5,6)10-2)21(15)28-24(16,7)8/h9-13,26H,1-2H2,3-8H3
HMDB03550	Calcidiol	C[C@H](CCCC(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
HMDB47441	TG(24:0/20:3n6/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,38,41,62H,4-16,18-19,21-25,28,30-35,37,39-40,42-61H2,1-3H3/b20-17-,29-26-,36-27-,41-38-
HMDB47440	TG(24:0/20:3n6/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,38,41,62H,4-16,18-19,22-23,25,27-28,30-37,39-40,42-61H2,1-3H3/b20-17-,24-21-,29-26-,41-38-
HMDB47443	TG(24:0/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,38,40-41,43,47,50,64H,4-17,19-20,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b21-18-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB47442	TG(24:0/20:3n6/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,40,43,64H,4-17,19-20,22-25,28,31-39,41-42,44-63H2,1-3H3/b21-18-,29-26-,30-27-,43-40-
HMDB47445	TG(24:0/20:3n6/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,44,47,68H,4-17,19-20,22-24,26,29,31-43,45-46,48-67H2,1-3H3/b21-18-,28-25-,30-27-,47-44-
HMDB47444	TG(24:0/20:3n6/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,42,45,66H,4-17,19-20,22-25,28,31-41,43-44,46-65H2,1-3H3/b21-18-,29-26-,30-27-,45-42-
HMDB31208	1-Phenyl-1-pentanone	CCCCC(=O)C1=CC=CC=C1	InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
HMDB31209	Ethenyl acetate	CC(=O)OC=C	InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
HMDB31206	Pentanal	CCCCC=O	InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
HMDB31207	Methyl pentanoate	CCCCC(=O)OC	InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
HMDB31204	4-Hydroxy-2-oxobutanoic acid	OCCC(=O)C(O)=O	InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)
HMDB31205	(E)-4-Undecene	CCCCCC\C=C\CCC	InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
HMDB31202	Solamine	CN(C)CCCCNCCCCN(C)C	InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3
HMDB31203	N-Heptanoylsolamine	CCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C	InChI=1S/C19H41N3O/c1-6-7-8-9-14-19(23)22(17-12-10-15-20(2)3)18-13-11-16-21(4)5/h6-18H2,1-5H3
HMDB31200	2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid	CC(C)(CS(O)(=O)=O)NC(=O)C=C	InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
HMDB31201	3-Deoxy-D-arabinitol	OCC(O)CC(O)CO	InChI=1S/C5H12O4/c6-2-4(8)1-5(9)3-7/h4-9H,1-3H2
HMDB30551	Theaflavin 3,3'-digallate	OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C3=C2C=C(C=C(O)C3=O)C2OC3=C(CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)=C1	InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)
HMDB30550	Thamnosin	COC1=C(\C=C\C2(C)CCC(C)=CC2C2=C(OC)C=C3OC(=O)C=CC3=C2)C=C2C=CC(=O)OC2=C1	InChI=1S/C30H28O6/c1-18-9-11-30(2,12-10-21-14-19-5-7-28(31)35-25(19)16-24(21)33-3)23(13-18)22-15-20-6-8-29(32)36-26(20)17-27(22)34-4/h5-8,10,12-17,23H,9,11H2,1-4H3/b12-10+
HMDB30553	Tricin 7-glucoside	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3
HMDB30552	Thelephoric acid	OC1=CC2=C(C=C1O)C1=C(O2)C(=O)C2=C(OC3=C2C=C(O)C(O)=C3)C1=O	InChI=1S/C18H8O8/c19-7-1-5-11(3-9(7)21)25-17-13(5)15(23)18-14(16(17)24)6-2-8(20)10(22)4-12(6)26-18/h1-4,19-22H
HMDB30555	Tocopheronic acid	CC1=C(C)C(=O)C(CCC(C)(O)CCC(O)=O)=C(C)C1=O	InChI=1S/C16H22O5/c1-9-10(2)15(20)12(11(3)14(9)19)5-7-16(4,21)8-6-13(17)18/h21H,5-8H2,1-4H3,(H,17,18)
HMDB30554	epsilon-Tocopherol	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=C(C)C(O)=CC(C)=C2O1	InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+
HMDB30557	Tracheloside	COC1=CC(CC2(O)C(CC3=CC(OC)=C(OC)C=C3)COC2=O)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3
HMDB30556	Tovophyllin B	CC(C)=CCC1=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C2C=CC(C)(C)OC2=C1O	InChI=1S/C28H28O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9-13,29-30H,8H2,1-6H3
HMDB30559	m-Trigallic acid	OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1	InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)
HMDB30558	Safflomin A	OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(C(O)C2OCC(O)C(O)C2O)C(=O)C(C(=O)\C=C/C2=CC=C(O)C=C2)=C1O	InChI=1S/C27H32O16/c28-7-13-17(33)20(36)22(38)26(43-13)27(41)24(39)14(11(30)6-3-9-1-4-10(29)5-2-9)18(34)15(25(27)40)19(35)23-21(37)16(32)12(31)8-42-23/h1-6,12-13,16-17,19-23,26,28-29,31-33,35-41H,7-8H2/b6-3-
HMDB45977	TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,32,34,37,43,46,58H,4-16,18-19,21-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,29-26-,32-27-,37-34-,46-43-
HMDB45976	TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,43,46,58H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,24-21-,29-26-,37-34-,46-43-
HMDB45975	TG(20:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,32,35,41,44,56H,4-16,18-19,22-23,25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,24-21-,28-26-,35-32-,44-41-
HMDB45974	TG(20:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,31,33,39,42,54H,4-14,16,19,21-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b18-15-,20-17-,27-25-,33-31-,42-39-
HMDB45973	TG(20:0/20:4(5Z,8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,49,52,64H,4-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,30-27-,43-40-,52-49-
HMDB45972	TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,47,50,62H,4-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b21-18-,30-27-,41-38-,50-47-
HMDB45971	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,45,48,60H,4-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b21-18-,30-27-,39-36-,48-45-
HMDB45970	TG(20:0/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,59H,4-16,18-19,21-25,27-28,30-33,35-36,38-58H2,1-3H3/b20-17-,29-26-,37-34-
HMDB45979	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-17,19-20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB45978	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,36,39,45,48,60H,4-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b21-18-,28-25-,30-27-,39-36-,48-45-
HMDB39783	1-(Methylthio)-1-hexanethiol	CCCCCC(S)SC	InChI=1S/C7H16S2/c1-3-4-5-6-7(8)9-2/h7-8H,3-6H2,1-2H3
HMDB39782	2-(1-Pentenyl)furan	CCC\C=C\C1=CC=CO1	InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h4-8H,2-3H2,1H3/b6-4+
HMDB39781	xi-2-Mercapto-3-methyl-1-butanol	CC(C)C(S)CO	InChI=1S/C5H12OS/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3
HMDB39780	N-(1-Deoxy-1-fructosyl)isoleucine	CCC(C)C(NCC(=O)C(O)C(O)C(O)CO)C(O)=O.CCC(C)C(NCC1(O)OC(CO)C(O)C1O)C(O)=O.CCC(C)C(NCC1(O)OCC(O)C(O)C1O)C(O)=O	InChI=1S/3C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(14)4-20-12;1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12;1-3-6(2)9(12(19)20)13-4-7(15)10(17)11(18)8(16)5-14/h2*6-10,13-16,19H,3-5H2,1-2H3,(H,17,18);6,8-11,13-14,16-18H,3-5H2,1-2H3,(H,19,20)
HMDB39787	2-Methyl-3-thiophenethiol	CC1=C(S)C=CS1	InChI=1S/C5H6S2/c1-4-5(6)2-3-7-4/h2-3,6H,1H3
HMDB39786	Dihydro-4-mercapto-3(2H)-furanone	SC1COCC1=O	InChI=1S/C4H6O2S/c5-3-1-6-2-4(3)7/h4,7H,1-2H2
HMDB39785	Menthol propylene glycol carbonate	CC(O)COC(=O)OC1CC(C)CCC1C(C)C.CC(C)C1CCC(C)CC1OC(=O)OC(C)CO	InChI=1S/2C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15;1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h2*9-13,15H,5-8H2,1-4H3
HMDB39784	2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone	CC1OC(C)=C(N2CCCC2)C1=O	InChI=1S/C10H15NO2/c1-7-9(10(12)8(2)13-7)11-5-3-4-6-11/h8H,3-6H2,1-2H3
HMDB39789	Tetrahydro-2-methyl-2-thiophenethiol	CC1(S)CCCS1	InChI=1S/C5H10S2/c1-5(6)3-2-4-7-5/h6H,2-4H2,1H3
HMDB39788	5-Methyl-3-thiophenethiol	CC1=CC(S)=CS1	InChI=1S/C5H6S2/c1-4-2-5(6)3-7-4/h2-3,6H,1H3
HMDB47197	TG(24:0/16:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-
HMDB47196	TG(24:0/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,57H,4-14,16-17,19-56H2,1-3H3/b18-15-
HMDB47195	TG(24:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,46,49,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-,49-46-
HMDB47194	TG(24:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-
HMDB47193	TG(24:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,41,44,58H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-,44-41-
HMDB47192	TG(24:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,58H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-
HMDB47191	TG(24:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,37,39,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-36,38,40-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-,39-37-
HMDB47190	TG(24:0/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-
HMDB45098	TG(18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,31-32,34,37,40,46,49,59H,4-6,8-9,11-15,17-18,21-22,24,26-27,30,33,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,34-29-,40-37-,49-46-
HMDB47198	TG(24:0/16:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-
HMDB59204	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-38,42-47,52-56,58,63,66-67,70,85-87,92H,5-9,12-13,16-20,24,28-32,39-41,48-51,57,59-62,64-65,68-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,70-66-/t85?,86-,87-/m1/s1
HMDB59205	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,39-42,47-50,57-58,61-62,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t79?,80-,81-/m1/s1
HMDB59206	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-9,11-13,15-20,24,28-32,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59207	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-38,42-47,52-56,58,63-64,67-68,85-87,92H,5-9,12-13,16-20,24,28-32,39-41,48-51,57,59-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB59200	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-38,41-45,49-50,52-53,60,64,82-84,89H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,46-48,51,54-59,61-63,65-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-,64-60-/t82?,83-,84-/m1/s1
HMDB59201	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-38,41-42,44-45,48,50-54,60-61,64-65,83-85,90H,5-9,11-13,15-20,24,28-32,39-40,43,46-47,49,55-59,62-63,66-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,65-61-/t83?,84-,85-/m1/s1
HMDB59202	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-38,42-47,52-56,58,63,66-67,70,85-87,92H,5-9,11-13,15-20,24,28-32,39-41,48-51,57,59-62,64-65,68-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,70-66-/t85?,86-,87-/m1/s1
HMDB59203	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-38,42-47,52-56,58,63,67,85-87,92H,5-9,12-13,16-20,24,28-32,39-41,48-51,57,59-62,64-66,68-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-/t85?,86-,87-/m1/s1
HMDB59208	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-9,12-13,16-20,24,28-32,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59209	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,41-44,49-50,53-54,61-62,65-66,83-85,90H,5-20,23-24,27-32,35-36,39-40,45-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-,66-62-/t84-,85-/m1/s1
HMDB08608	PC(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,29,31,48H,6-8,10,12-13,18-19,24-28,30,32-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,31-29-/t48-/m1/s1
HMDB08609	PC(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,29,31,35,37,48H,6-8,10,12-13,18-19,24-28,30,32-34,36,38-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08606	PC(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,29,31,48H,6-13,18-19,24-28,30,32-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,31-29-/t48-/m1/s1
HMDB08607	PC(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,29,31,35,37,48H,6-13,18-19,24-28,30,32-34,36,38-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08604	PC(22:2(13Z,16Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,48H,6-13,18-19,24-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t48-/m1/s1
HMDB08605	PC(22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,29,31,35,37,48H,6-13,15,17-19,24-28,30,32-34,36,38-47H2,1-5H3/b16-14-,22-20-,23-21-,31-29-,37-35-/t48-/m1/s1
HMDB08602	PC(22:2(13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,48H,6-13,15,17-19,21,23-47H2,1-5H3/b16-14-,22-20-/t48-/m1/s1
HMDB08603	PC(22:2(13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,48H,6-13,15,17-19,24-47H2,1-5H3/b16-14-,22-20-,23-21-/t48-/m1/s1
HMDB08600	PC(22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,26,46H,6-8,10,12-13,18-19,23-25,27-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,26-21-/t46-/m1/s1
HMDB08601	PC(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,26,31,33,46H,6-8,10,12-13,18-19,23-25,27-30,32,34-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,26-21-,33-31-/t46-/m1/s1
HMDB38788	Melleolide H	COC1=CC(C)=C(C(=O)OC2CC3(C)C4C(CC(C)(C)C4O)C=C(C=O)C23O)C(O)=C1	InChI=1S/C24H30O7/c1-12-6-15(30-5)8-16(26)18(12)21(28)31-17-10-23(4)19-13(9-22(2,3)20(19)27)7-14(11-25)24(17,23)29/h6-8,11,13,17,19-20,26-27,29H,9-10H2,1-5H3
HMDB38789	Torvanol A	COC1=CC2=C(OCC(C2OS(O)(=O)=O)C2=C(O)C(OC)=CC(\C=C\C(O)=O)=C2)C=C1	InChI=1S/C20H20O10S/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26)/b6-3+
HMDB38784	(E)-Arachidin II	CC(C)=CCC1=C(O)C=C(\C=C/C2=CC=C(O)C=C2)C=C1O	InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4-
HMDB38785	Melleolide E	CC1=C(C(=O)OC2CC3(C)C4C(CC(C)(C)C4O)C=C(CO)C23O)C(O)=CC(O)=C1	InChI=1S/C23H30O7/c1-11-5-14(25)7-15(26)17(11)20(28)30-16-9-22(4)18-12(8-21(2,3)19(18)27)6-13(10-24)23(16,22)29/h5-7,12,16,18-19,24-27,29H,8-10H2,1-4H3
HMDB38786	10-Hydroxymelleolide	CC1=C(C(=O)OC2CC3(C)C4C(CC(C)(C)C4O)C=C(C=O)C23O)C(O)=CC(O)=C1	InChI=1S/C23H28O7/c1-11-5-14(25)7-15(26)17(11)20(28)30-16-9-22(4)18-12(8-21(2,3)19(18)27)6-13(10-24)23(16,22)29/h5-7,10,12,16,18-19,25-27,29H,8-9H2,1-4H3
HMDB38787	Melleolide B	COC1=CC(C)=C(C(=O)OC2CC3(C)C4C(CC(C)(C)C4O)C=C(CO)C23O)C(O)=C1	InChI=1S/C24H32O7/c1-12-6-15(30-5)8-16(26)18(12)21(28)31-17-10-23(4)19-13(9-22(2,3)20(19)27)7-14(11-25)24(17,23)29/h6-8,13,17,19-20,25-27,29H,9-11H2,1-5H3
HMDB38780	7-Hydroxy-2',4',5'-trimethoxyisoflavan	COC1=CC(OC)=C(C=C1OC)C1COC2=C(C1)C=CC(O)=C2	InChI=1S/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3
HMDB38781	1,8-Heptadecadiene-4,6-diyne-3,10-diol	CCCCCCCC(O)\C=C/C#CC#CC(O)C=C	InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12-
HMDB38782	1-Heptadecene-4,6-diyne-3,9-diol	CCCCCCCCC(O)CC#CC#CC(O)C=C	InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3
HMDB38783	(Z)-1-(1-Ethoxyethoxy)-3-hexene	CCOC(C)OCC\C=C\CC	InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
HMDB53593	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,37,39-40,42,61H,4-7,9-10,12-14,21-23,30-31,33,35-36,38,41,43-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-
HMDB53591	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,34-35,37-38,43,46,59H,4-7,9-10,12-14,21-23,30-33,36,39-42,44-45,47-58H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB53596	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,36-37,40,57H,4-6,8,11,13,15,20,22,24,29-30,32,34-35,38-39,41-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-
HMDB53597	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,34-35,37-38,59H,4-6,9,12-14,21-23,30-33,36,39-58H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-
HMDB53595	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,36,57H,4-6,8,11,13,15,20,22,24,29-30,32,34-35,37-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-
HMDB35000	Cobalt sulfate	[Co++].[O-]S([O-])(=O)=O	InChI=1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
HMDB35001	Melleolide K	CC1=C(Cl)C(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C=C(C=O)C12O	InChI=1S/C23H27ClO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,10,12,14,17,26-27,29H,7-9H2,1-4H3
HMDB35002	Xanthogalenol	COC1=CC(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1CC=C(C)C	InChI=1S/C21H22O5/c1-13(2)4-10-16-19(26-3)12-18(24)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
HMDB35003	Xanthohumol D	COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C(CC(O)C(C)=C)C(O)=C1	InChI=1S/C21H22O6/c1-12(2)17(24)10-15-18(25)11-19(27-3)20(21(15)26)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,11,17,22,24-26H,1,10H2,2-3H3/b9-6+
HMDB35004	Isovitexin 4',7-diglucoside	OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C(O)C(O)C1O	InChI=1S/C33H40O20/c34-7-16-21(38)25(42)28(45)31(50-16)20-15(51-33-30(47)27(44)23(40)18(9-36)53-33)6-14-19(24(20)41)12(37)5-13(49-14)10-1-3-11(4-2-10)48-32-29(46)26(43)22(39)17(8-35)52-32/h1-6,16-18,21-23,25-36,38-47H,7-9H2
HMDB35005	6'''-O-Sinapoylsaponarin	COC1=CC(\C=C\C(=O)OCC2OC(OC3=C(C4OC(CO)C(O)C(O)C4O)C(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)43)3-8-26(42)53-14-25-31(45)34(48)36(50)38(57-25)56-21-12-20-27(18(41)11-19(54-20)16-4-6-17(40)7-5-16)32(46)28(21)37-35(49)33(47)30(44)24(13-39)55-37/h3-12,24-25,30-31,33-40,43-50H,13-14H2,1-2H3/b8-3+
HMDB35006	Isovitexin; 7-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(-&gt;6)-glucopyranoside], 4'-O-b-D-glucopyranoside	COC1=CC(\C=C\C(=O)OCC2OC(OC3=C(C4OC(CO)C(O)C(O)C4O)C(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C44H50O24/c1-60-23-9-16(10-24(61-2)31(23)49)3-8-28(48)62-15-27-34(52)38(56)41(59)44(68-27)66-22-12-21-29(35(53)30(22)42-39(57)36(54)32(50)25(13-45)65-42)19(47)11-20(64-21)17-4-6-18(7-5-17)63-43-40(58)37(55)33(51)26(14-46)67-43/h3-12,25-27,32-34,36-46,49-59H,13-15H2,1-2H3/b8-3+
HMDB35007	Lucuminic acid	OC1COC(OCC2OC(OC(C(O)=O)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C19H26O12/c20-9-6-28-18(14(24)11(9)21)29-7-10-12(22)13(23)15(25)19(30-10)31-16(17(26)27)8-4-2-1-3-5-8/h1-5,9-16,18-25H,6-7H2,(H,26,27)
HMDB35008	3-Methylbutyl phenylacetate	CC(C)CCOC(=O)CC1=CC=CC=C1	InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
HMDB35009	Phenethyl phenylacetate	O=C(CC1=CC=CC=C1)OCCC1=CC=CC=C1	InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
HMDB02385	Celastrol	[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(O)=O	InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
HMDB02384	Stearaldehyde	CCCCCCCCCCCCCCCCCC=O	InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
HMDB02387	Beryllium	[Be++]	InChI=1S/Be/q+2
HMDB02386	Boron	[B+3]	InChI=1S/B/q+3
HMDB58157	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,49-50,54,57,61,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46-48,51-53,55-56,58-60,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,49-45-,54-50-,61-57-/t81?,82-,83-/m1/s1
HMDB58156	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,40,42,44-45,49-50,54,57,61-62,66,81-83,88H,5-20,23-24,28-30,32,35,39,41,43,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB41908	imidaprilat	[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O	InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1
HMDB41909	iopentol	COCC(O)CN(C(C)=O)C1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(O)=NCC(O)CO)=C1I	InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)
HMDB58153	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,39,41-42,46,54,58,77-79,84H,5-20,22-24,26,28-30,32,35,38,40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,39-34-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB58152	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,37,39,42,46,54,58,77-79,84H,5-20,22-24,26,29-30,35-36,38,40-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,37-33-,39-34-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB58151	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38,40,44,52,56,75-77,82H,5-20,22-24,26,29-30,35,37,39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,36-33-,38-34-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB58150	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,37,39,42,46,54,58,77-79,84H,5-20,22-24,26,28-30,32,35-36,38,40-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,39-34-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB41903	homosulfanilamide	NCC1=CC=C(C=C1)S(N)(=O)=O	InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
HMDB41900	gamma-carboxyglutamic acid	NC(CC(C(O)=O)C(O)=O)C(O)=O	InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)
HMDB41901	hexamethylene bisacetamide	CC(O)=NCCCCCCN=C(C)O	InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)
HMDB41906	ibopamine	CNCCC1=CC(OC(=O)C(C)C)=C(OC(=O)C(C)C)C=C1	InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3
HMDB41907	imidapril	[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O	InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
HMDB58159	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,29,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB41905	hydroxyphenytoin	OC1=NC(C(O)=N1)(C1=CC=CC=C1)C1=CC=C(O)C=C1	InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)
HMDB09951	PIP(18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h12,14,18,20,37,40-45,48-51H,3-11,13,15-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b14-12-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09950	PIP(18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h18,20,37,40-45,48-51H,3-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09953	PIP(18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h6,8,12,14,18,20,37,40-45,48-51H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b8-6-,14-12-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09952	PIP(18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h12,14,18,20,24,26,37,40-45,48-51H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b14-12-,20-18-,26-24-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09955	PIP(18:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H92O18P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(53)66-42(40-64-43(52)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)39-63-37-41(51)38-65-70(61,62)68-50-47(56)45(54)46(55)49(48(50)57)67-69(58,59)60/h11,13,17,19,22,24,41-42,45-51,54-57H,3-10,12,14-16,18,20-21,23,25-40H2,1-2H3,(H,61,62)(H2,58,59,60)/b13-11-,19-17-,24-22-/t41-,42+,45?,46?,47?,48?,49-,50+/m1/s1
HMDB09954	PIP(18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C50H92O18P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(53)66-42(40-64-43(52)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)39-63-37-41(51)38-65-70(61,62)68-50-47(56)45(54)46(55)49(48(50)57)67-69(58,59)60/h17,19,22,24,28,30,41-42,45-51,54-57H,3-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,61,62)(H2,58,59,60)/b19-17-,24-22-,30-28-/t41-,42+,45?,46?,47?,48?,49-,50+/m1/s1
HMDB09957	PIP(18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17,19,22,24,39,42-47,50-53H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,19-17-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09956	PIP(18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09959	PIP(18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h13-16,35,38-43,46-49H,3-12,17-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b15-13-,16-14-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09958	PIP(18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h13,15,35,38-43,46-49H,3-12,14,16-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b15-13-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB13695	Urolithin A	OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2	InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
HMDB13696	Urolithin B	OC1=CC2=C(C=C1)C1=CC=CC=C1C(=O)O2	InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H
HMDB13690	Procyanidin	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@H](O)[C@H](OC3=C1C(O)=CC(O)=C3)C1=CC(O)=C(O)C=C1)=C(O)C=C2O	InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1
HMDB13693	Sinensal	C\C(CC\C=C(/C)C=O)=C/C\C=C(/C)C=C	InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+
HMDB13692	Secoisolariciresinol	COC1=C(O)C=CC(C[C@@H](CO)[C@H](CO)CC2=CC(OC)=C(O)C=C2)=C1	InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
HMDB34663	5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone	CC1=C(C)C(=O)C2=C(C=CC=C2O)C1=O	InChI=1S/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3
HMDB34662	Dihydrofukinolide	CCC(C)C(=O)OC1CCC(C)C2(C)CC3(C(OC(C)=O)C12)C(=C)COC3=O	InChI=1S/C22H32O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h12-13,16-18H,4,7-11H2,1-3,5-6H3
HMDB34661	alpha-Valerenol	CC1CCC(\C=C(/C)CO)C2=C(C)CCC12	InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8+
HMDB34660	Heterophyllin	CC(C)=CCC1=C(OC2=C(C(O)=C3C=CC(C)(C)OC3=C2CC=C(C)C)C1=O)C1=CC(O)=C(O)C=C1O	InChI=1S/C30H32O7/c1-15(2)7-9-17-25(34)24-26(35)18-11-12-30(5,6)37-28(18)19(10-8-16(3)4)29(24)36-27(17)20-13-22(32)23(33)14-21(20)31/h7-8,11-14,31-33,35H,9-10H2,1-6H3
HMDB34667	Artonin B	CC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1OC1=C(CC(C(C)=C)C3=C1C(O)=CC(O)=C3O)C2=O	InChI=1S/C30H30O7/c1-13(2)7-8-16-27-15(9-10-30(5,6)37-27)24(33)23-25(34)18-11-17(14(3)4)21-22(29(18)36-28(16)23)19(31)12-20(32)26(21)35/h7,9-10,12,17,31-33,35H,3,8,11H2,1-2,4-6H3
HMDB34666	()-2-Hydroxy-2-phenylacetonitrile	OC(C#N)C1=CC=CC=C1	InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H
HMDB34665	Artonin A	CC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1OC1=C(CC3C4=C1C(O)=CC(O)=C4OC3(C)C)C2=O	InChI=1S/C30H30O7/c1-13(2)7-8-15-25-14(9-10-29(3,4)36-25)23(33)22-24(34)16-11-17-20-21(27(16)35-26(15)22)18(31)12-19(32)28(20)37-30(17,5)6/h7,9-10,12,17,31-33H,8,11H2,1-6H3
HMDB15229	Leflunomide	CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F	InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
HMDB15227	Fluvastatin	CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC=CC=C12	InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1
HMDB34669	Anaxagoreine	COC1=C2C3=C(C=CC=C3)C(O)C3NCCC(C=C1O)=C23	InChI=1S/C17H17NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-5,8,15-16,18-20H,6-7H2,1H3
HMDB34668	Vinaginsenoside R15	CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H72O15/c1-37(2,53)12-9-13-42(8,57-36-33(52)31(50)29(48)24(19-44)56-36)20-10-15-40(6)27(20)21(45)16-25-39(5)14-11-26(46)38(3,4)34(39)22(17-41(25,40)7)54-35-32(51)30(49)28(47)23(18-43)55-35/h9,12,20-36,43-53H,10-11,13-19H2,1-8H3/b12-9+
HMDB15222	Pentolinium	C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1	InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2
HMDB15223	Butenafine	CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12	InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3
HMDB15220	Iloprost	CC#CCC(C)C(O)\C=C\C1C(O)CC2C\C(CC12)=C\CCCC(=O)OCC(=O)C1=CC=CC=C1	InChI=1S/C30H38O5/c1-3-4-10-21(2)27(31)16-15-25-26-18-22(17-24(26)19-28(25)32)11-8-9-14-30(34)35-20-29(33)23-12-6-5-7-13-23/h5-7,11-13,15-16,21,24-28,31-32H,8-10,14,17-20H2,1-2H3/b16-15+,22-11-
HMDB15221	Deserpidine	[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2	InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
HMDB15594	Nebivolol	OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2	InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2
HMDB15595	Nilotinib	CC1=CN(C=N1)C1=CC(=CC(NC(=O)C2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)=C1)C(F)(F)F	InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
HMDB15596	Vildagliptin	OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N	InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
HMDB15597	Voacamine	[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC	InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1
HMDB15590	Fluspirilene	FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1	InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
HMDB15591	Mepenzolate	C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1
HMDB15592	Tetrabenazine	COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1	InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
HMDB15593	Ixabepilone	C[C@H]1CCC[C@@]2(C)O[C@@]2([H])C[C@H](NC(=O)C[C@@H](O)C(C)(C)C(=O)[C@@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1	InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17-,20-,21+,22-,24-,27+/m0/s1
HMDB32841	5-Megastigmen-7-yne-3,9-diol; 9-O-b-D-Glucopyranoside	CC(OC1OC(CO)C(O)C(O)C1O)C#CC1=C(C)CC(O)CC1(C)C	InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3
HMDB32840	3-Benzoyloxy-6-oxo-12-ursen-28-oic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C6=CC=CC=C6)C(C)(C)C5C(=O)CC34C)C2C1C)C(O)=O	InChI=1S/C37H50O5/c1-22-15-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)13-14-27-34(5)17-16-28(42-31(39)24-11-9-8-10-12-24)33(3,4)30(34)26(38)21-36(27,35)7/h8-13,22-23,27-30H,14-21H2,1-7H3,(H,40,41)
HMDB32843	AS 1-5	CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48)/b28-26+
HMDB32842	5-Megastigmen-7-yne-3,9-diol; 3-O-b-D-Glucopyranoside	CC(O)C#CC1=C(C)CC(CC1(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3
HMDB15598	Voglibose	OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
HMDB15599	Enoximone	CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1	InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)
HMDB32847	1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene	COC1=CC(\C=C/C2=CC=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3-
HMDB39814	Cyclocalopin E	CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(=O)C4C	InChI=1S/C15H20O6/c1-6-5-19-13(18)11-9(6)15-4-8(20-14(15,3)21-11)7(2)10(16)12(15)17/h6-9,11-12,17H,4-5H2,1-3H3
HMDB45092	TG(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,31-32,34,37,40,46,49,59H,4-15,17-18,21-22,24,26-27,30,33,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,34-29-,40-37-,49-46-
HMDB30849	Artocarpin	COC1=C(\C=C\C(C)C)C(O)=C2C(OC(=C(CC=C(C)C)C2=O)C2=CC=C(O)C=C2O)=C1	InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+
HMDB30848	Artocarpesin	CC(C)=CCC1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1O	InChI=1S/C20H18O6/c1-10(2)3-5-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)12-6-4-11(21)7-14(12)22/h3-4,6-9,21-23,25H,5H2,1-2H3
HMDB30847	Aromadendrin	OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1	InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H
HMDB30846	Archangelin	CC1=C(COC2=C3C=COC3=CC3=C2C=CC(=O)O3)CCC(C)(C)C1	InChI=1S/C21H22O4/c1-13-11-21(2,3)8-6-14(13)12-24-20-15-4-5-19(22)25-18(15)10-17-16(20)7-9-23-17/h4-5,7,9-10H,6,8,11-12H2,1-3H3
HMDB37312	Decyl butanoate	CCCCCCCCCCOC(=O)CCC	InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3
HMDB37532	1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene	BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1	InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
HMDB37310	1,1-Dimethoxydecane	CCCCCCCCCC(OC)OC	InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
HMDB37311	Decyl propionate	CCCCCCCCCCOC(=O)CC	InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h3-12H2,1-2H3
HMDB37316	Isoliquiritigenin	OC1=CC=C(\C=C\C(=O)C2=C(O)C=C(O)C=C2)C=C1	InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
HMDB37317	Neoisoliquiritin	OCC1OC(OC2=CC(O)=C(C=C2)C(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+
HMDB37314	Norartocarpanone	OC1=CC=C(C2CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)=C1	InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2
HMDB37315	Cerasinone	COC1=CC=C(C2CC(=O)C3=C(OC)C=C(O)C=C3O2)C(OC)=C1	InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3
HMDB37318	Isoliquiritin	OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(O)C(O)C1O	InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+
HMDB37319	3-(4-Hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-one	COC1=C(C=CC(O)=C1)C(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+
HMDB37530	1'-O-Acetylpaxilline	CC(=O)OC(C)(C)C1OC2CCC3(C)C4(C)C(CC5=C4NC4=C5C=CC=C4)CCC3(O)C2=CC1=O	InChI=1S/C29H35NO5/c1-16(31)35-26(2,3)25-22(32)15-20-23(34-25)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,23,25,30,33H,10-14H2,1-5H3
HMDB29768	Isofucosterol glucoside	C\C=C(/CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C	InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7+
HMDB29769	Isoeruboside B	CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C51H84O24/c1-19-5-10-51(66-18-19)20(2)32-27(75-51)13-24-22-12-26(56)25-11-21(6-8-49(25,3)23(22)7-9-50(24,32)4)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3
HMDB45104	TG(18:0/18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,50H,4-14,16,19,21-24,26,28-31,33-34,36-49H2,1-3H3/b18-15-,20-17-,27-25-,35-32-
HMDB37531	Dehydroxypaxilline	CC(C)(O)C1OC2CCC3(C)C(CCC4CC5=C(NC6=C5C=CC=C6)C34C)C2=CC1=O	InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3
HMDB45102	TG(18:0/18:3(6Z,9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,27,33,40,43,58H,4-17,19-20,22-26,28-32,34-39,41-42,44-57H2,1-3H3/b21-18-,33-27-,43-40-
HMDB45103	TG(18:0/18:3(6Z,9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,27,35,42,45,60H,4-17,19-20,22-26,28-34,36-41,43-44,46-59H2,1-3H3/b21-18-,35-27-,45-42-
HMDB45100	TG(18:0/18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,54H,4-17,19-20,22-26,28-29,31-35,37-38,40-53H2,1-3H3/b21-18-,30-27-,39-36-
HMDB45101	TG(18:0/18:3(6Z,9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,27,31,38,41,56H,4-17,19-20,22-26,28-30,32-37,39-40,42-55H2,1-3H3/b21-18-,31-27-,41-38-
HMDB29760	1,1-Diethoxy-2-hexene	CCC\C=C\C(OCC)OCC	InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+
HMDB29761	2-Methyl-4-pentenoic acid, 9CI; ()-form, Et ester	CCOC(=O)C(C)CC=C	InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3
HMDB29762	2-Methylbutanoic acid, 9CI; ()-form, Me ester	CCC(C)C(=O)OC	InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
HMDB29763	Nonanoic acid, 9CI; 2-Propenyl ester	CCCCCCCCC(=O)OCC=C	InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
HMDB29764	Propylene glycol stearate	CCCCCCCCCCCCCCCCCC(=O)OCC(C)O	InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3
HMDB29765	9-Pentadecenoic acid	CCCCC\C=C\CCCCCCCC(O)=O	InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h6-7H,2-5,8-14H2,1H3,(H,16,17)/b7-6+
HMDB29766	4,7-Megastigmadiene-3,9-diol; (3S,7E,9R)-form, 9-O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C	InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+
HMDB29767	Stigmasta-5,28-diene-3,24-diol, 9CI; 3b-form, 3-O-b-D-Glucopyranoside	CC(C)C(O)(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C35H58O7/c1-7-35(40,20(2)3)17-12-21(4)25-10-11-26-24-9-8-22-18-23(13-15-33(22,5)27(24)14-16-34(25,26)6)41-32-31(39)30(38)29(37)28(19-36)42-32/h7-8,20-21,23-32,36-40H,1,9-19H2,2-6H3
HMDB37534	Panasenoside	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2
HMDB37535	Hesperetin 5-O-glucoside	COC1=CC=C(C=C1O)C1CC(=O)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C(O)C=C2O1	InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3
HMDB29498	Fukiic acid; 3'-Me ether	COC1=C(O)C=CC(CC(O)(C(O)C(O)=O)C(O)=O)=C1	InChI=1S/C12H14O8/c1-20-8-4-6(2-3-7(8)13)5-12(19,11(17)18)9(14)10(15)16/h2-4,9,13-14,19H,5H2,1H3,(H,15,16)(H,17,18)
HMDB29499	Fukinolic acid	OC(=O)C(OC(=O)C=CC1=CC=C(O)C(O)=C1)C(O)(CC1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)
HMDB29496	Fukiic acid	O[C@H](C(O)=O)[C@](O)(CC1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C11H12O8/c12-6-2-1-5(3-7(6)13)4-11(19,10(17)18)8(14)9(15)16/h1-3,8,12-14,19H,4H2,(H,15,16)(H,17,18)/t8-,11-/m1/s1
HMDB29497	Fukiic acid; Di-Me ester	COC(=O)C(O)C(O)(CC1=CC(O)=C(O)C=C1)C(=O)OC	InChI=1S/C13H16O8/c1-20-11(17)10(16)13(19,12(18)21-2)6-7-3-4-8(14)9(15)5-7/h3-5,10,14-16,19H,6H2,1-2H3
HMDB29494	7-Hydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-b-D-glucopyranoside), Me ester	COC(=O)CC(=O)OCC1OC(OC2=CC=C3C(OC=C(C3=O)C3=CC=C(OC)C=C3)=C2)C(O)C(O)C1O	InChI=1S/C26H26O12/c1-33-14-5-3-13(4-6-14)17-11-35-18-9-15(7-8-16(18)22(17)29)37-26-25(32)24(31)23(30)19(38-26)12-36-21(28)10-20(27)34-2/h3-9,11,19,23-26,30-32H,10,12H2,1-2H3
HMDB29495	Trigoforin	CC1=CC2=C(C=C1)C(C)=C(C)C(=O)O2	InChI=1S/C12H12O2/c1-7-4-5-10-8(2)9(3)12(13)14-11(10)6-7/h4-6H,1-3H3
HMDB29492	3,3',7-Trihydroxy-4'-methoxyflavone	COC1=CC=C(C=C1O)C1=C(O)C(=O)C2=CC=C(O)C=C2O1	InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3
HMDB29493	7-Hydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-b-D-glucopyranoside)	COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=CC=C2C1=O	InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)
HMDB29490	(-)-Farnesiferol C	C\C(CCC1C2(C)CCC(O2)C1(C)C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1	InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12-
HMDB29491	Isoferreirin	COC1=C(C=CC(O)=C1)C1COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C16H14O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3
HMDB48724	TG(16:1(9Z)/24:1(15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-
HMDB42349	TG(14:0/18:1(11Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29-30,52H,4-15,17-18,21-22,25,27-28,31-51H2,1-3H3/b19-16-,23-20-,26-24-,30-29-
HMDB42348	TG(14:0/18:1(11Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h13,16,20,22-24,51H,4-12,14-15,17-19,21,25-50H2,1-3H3/b16-13-,23-20-,24-22-
HMDB00770	N-Glycoloylganglioside GM2	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CCCCCCCCCCCCCCCC	InChI=1S/C43H85NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(47)44-36(35-51-43-42(50)41(49)40(48)38(34-45)52-43)37(46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38,40-43,45-46,48-50H,3-35H2,1-2H3,(H,44,47)/t36-,37-,38+,40+,41-,42+,43+/m0/s1
HMDB42341	TG(14:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23-24,26,50H,4-19,21-22,25,27-49H2,1-3H3/b23-20-,26-24-
HMDB42340	TG(14:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h19-20,22-23,50H,4-18,21,24-49H2,1-3H3/b22-19-,23-20-
HMDB42343	TG(14:0/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,29-30,36,39,52H,4-19,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b23-20-,26-24-,30-29-,39-36-
HMDB42342	TG(14:0/18:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,52H,4-19,21-22,25,27-51H2,1-3H3/b23-20-,26-24-
HMDB42345	TG(14:0/18:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h20,23-24,26,56H,4-19,21-22,25,27-55H2,1-3H3/b23-20-,26-24-
HMDB42344	TG(14:0/18:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h20,23-24,26,54H,4-19,21-22,25,27-53H2,1-3H3/b23-20-,26-24-
HMDB42347	TG(14:0/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,31,34,50H,4-15,17-18,21-22,25,27-30,32-33,35-49H2,1-3H3/b19-16-,23-20-,26-24-,34-31-
HMDB42346	TG(14:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h19-20,22-23,26,28,51H,4-18,21,24-25,27,29-50H2,1-3H3/b22-19-,23-20-,28-26-
HMDB46459	TG(22:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-
HMDB46458	TG(22:0/16:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-
HMDB48723	TG(16:1(9Z)/24:1(15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h21,24-27,33,58H,4-20,22-23,28-32,34-57H2,1-3H3/b24-21-,27-25-,33-26-
HMDB46451	TG(22:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,56H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-
HMDB46450	TG(22:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,35,37,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-34,36,38-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-,37-35-
HMDB46453	TG(22:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,36,39,58H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,39-36-
HMDB46452	TG(22:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,39,42,56H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,42-39-
HMDB46455	TG(22:0/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,55H,4-14,16-17,19-54H2,1-3H3/b18-15-
HMDB46454	TG(22:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,36,39,44,47,58H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,39-36-,47-44-
HMDB46457	TG(22:0/16:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-
HMDB46456	TG(22:0/16:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB44418	TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,35,38,56H,4-15,17-18,20-24,26,28,31-34,36-37,39-55H2,1-3H3/b19-16-,27-25-,30-29-,38-35-
HMDB13336	3-Hydroxyhexadecanoylcarnitine	CCCCCCCCCCCCCC(O)CC(=O)O[C@@H](CCC([O-])=O)[N+](C)(C)C	InChI=1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h20-21,25H,5-19H2,1-4H3/t20?,21-/m0/s1
HMDB13337	2-Hydroxyhexadecanoylcarnitine	CCCCCCCCCCCCCCC(O)C(=O)O[C@@H](CCC([O-])=O)[N+](C)(C)C	InChI=1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23(28)29-21(24(2,3)4)18-19-22(26)27/h20-21,25H,5-19H2,1-4H3/t20?,21-/m0/s1
HMDB13334	9,12-Hexadecadienoylcarnitine	CCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(24(2,3)4)19-20-22(25)26/h7-8,10-11,21H,5-6,9,12-20H2,1-4H3/b8-7-,11-10-/t21-/m0/s1
HMDB13335	3-Hydroxyhexadecadienoylcarnitine	CCC\C=C/C\C=C/CCCCCC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C23H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h7-8,10-11,20-21,25H,5-6,9,12-19H2,1-4H3/b8-7-,11-10-/t20?,21-/m0/s1
HMDB13332	3-Hydroxy-5, 8-tetradecadiencarnitine	CCCCCC\C=C\C=C\CC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C21H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)17-21(26)27-19(22(2,3)4)15-16-20(24)25/h10-13,18-19,23H,5-9,14-17H2,1-4H3/b11-10+,13-12+/t18?,19-/m0/s1
HMDB13333	3-Hydroxy-9-hexadecenoylcarnitine	CCCCCC\C=C/CCCCCC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C23H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h10-11,20-21,25H,5-9,12-19H2,1-4H3/b11-10-/t20?,21-/m0/s1
HMDB13330	3-Hydroxy-cis-5-tetradecenoylcarnitine	CCCCCCCC\C=C/CC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C21H39NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)17-21(26)27-19(22(2,3)4)15-16-20(24)25/h12-13,18-19,23H,5-11,14-17H2,1-4H3/b13-12-/t18?,19-/m0/s1
HMDB13331	3, 5-Tetradecadiencarnitine	CCCCCCCC\C=C\C=C\CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(22(2,3)4)17-18-20(23)24/h12-15,19H,5-11,16-18H2,1-4H3/b13-12+,15-14+/t19-/m0/s1
HMDB13338	11Z-Octadecenylcarnitine	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h10-11,23H,5-9,12-22H2,1-4H3/b11-10-/t23-/m0/s1
HMDB13339	3-Hydroxy-11Z-octadecenoylcarnitine	CCCCCC\C=C/CCCCCCCC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1
HMDB49097	TG(18:1(11Z)/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,55H,4-19,21-22,24,26,28-54H2,1-3H3/b23-20-,27-25-
HMDB10678	PG(18:3(9Z,12Z,15Z)/18:1(11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,39-40,43-44H,3-4,6,8-10,12,15,18,20-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-/t39-,40+/m0/s1
HMDB10679	PG(18:3(9Z,12Z,15Z)/18:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,39-40,43-44H,3-4,6,8-10,12,14-16,21-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,20-18-/t39-,40+/m0/s1
HMDB10676	PG(18:3(9Z,12Z,15Z)/16:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37-38,41-42H,3-4,6,8-10,12,15,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-/t37-,38+/m0/s1
HMDB10677	PG(18:3(9Z,12Z,15Z)/18:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39-40,43-44H,3-4,6,8-10,12,14-16,18,20-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-/t39-,40+/m0/s1
HMDB10674	PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H73O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,43-44,47-48H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-,44+/m0/s1
HMDB10675	PG(18:3(9Z,12Z,15Z)/16:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41-42H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1
HMDB10672	PG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,43-44,47-48H,3-10,15-16,20,24-25,30-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-,44+/m0/s1
HMDB10673	PG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,43-44,47-48H,3-4,6,8-10,15-16,20,24-25,30-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-,44+/m0/s1
HMDB10670	PG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H73O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27-28,30,41-42,45-46H,3-10,15-16,20,23,26,29,31-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-,42+/m0/s1
HMDB10671	PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,43-44,47-48H,3-10,15-16,20,24-25,30-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-,44+/m0/s1
HMDB43516	TG(15:0/20:4(5Z,8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,36,38,44,47,59H,4-16,18-19,21-25,27,29-35,37,39-43,45-46,48-58H2,1-3H3/b20-17-,28-26-,38-36-,47-44-
HMDB43514	TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,32,34,40,43,55H,4-16,18-19,21-25,27,29-31,33,35-39,41-42,44-54H2,1-3H3/b20-17-,28-26-,34-32-,43-40-
HMDB00439	2-Furoylglycine	OC(=O)CNC(=O)C1=CC=CO1	InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
HMDB00438	3b,12a-Dihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1
HMDB14959	Carprofen	CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1	InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
HMDB14958	Tadalafil	[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1	InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
HMDB14957	Acetazolamide	CC(=O)NC1=NN=C(S1)S(N)(=O)=O	InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
HMDB14956	Propofol	CC(C)C1=CC=CC(C(C)C)=C1O	InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
HMDB00437	3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@H](O)CC[C@]12C	InChI=1S/C24H40O6/c1-12(4-7-20(28)29)13-5-6-14-21-15(11-19(27)24(13,14)3)23(2)9-8-17(25)22(30)16(23)10-18(21)26/h12-19,21-22,25-27,30H,4-11H2,1-3H3,(H,28,29)/t12-,13-,14+,15+,16-,17-,18-,19+,21+,22-,23-,24-/m1/s1
HMDB14954	Orciprenaline	CC(C)NCC(O)C1=CC(O)=CC(O)=C1	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
HMDB00431	16,17-Epiestriol	[H][C@@]12C[C@H](O)[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17-,18+/m1/s1
HMDB14952	Meloxicam	CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O	InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
HMDB14951	Fentanyl	CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1	InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
HMDB00432	3a,7b,12a-Trihydroxy-5a-Cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1
HMDB43511	TG(15:0/20:4(5Z,8Z,11Z,14Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,35,38,50H,4-15,17-18,20-24,27,30-34,36-37,39-49H2,1-3H3/b19-16-,26-25-,29-28-,38-35-
HMDB56285	DG(18:2n6/0:0/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,22-23,25,40,43H,3-10,12,15,18,21,24,26-39H2,1-2H3/b13-11-,16-14-,19-17-,22-20-,25-23-
HMDB43510	TG(15:0/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-
HMDB56284	DG(18:2n6/0:0/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-39(42)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,14-17,20,22,39,42H,3-8,10,12-13,18-19,21,23-38H2,1-2H3/b11-9-,16-14-,17-15-,22-20-
HMDB59430	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,49-50,52-53,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-48,51,54-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-/t82?,83-,84-/m1/s1
HMDB00383	3a,17a-Dihydroxy-5b-androstane	C[C@]12CCC3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@H]2O	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17-,18+,19+/m1/s1
HMDB11209	PC(P-16:0/18:1(11Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34-/t41-/m1/s1
HMDB00381	Allolithocholic acid	C[C@@H](CCC(O)=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17+,18?,19?,20?,21?,23-,24+/m0/s1
HMDB00380	2-Hydroxyestradiol-3-methyl ether	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(O)=C3	InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
HMDB00387	3-Hydroxydodecanoic acid	CCCCCCCCCC(O)CC(O)=O	InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
HMDB00386	3b,16a-Dihydroxyandrostenone sulfate	[H][C@@]12C[C@H](C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C)OS(O)(=O)=O	InChI=1S/C19H28O6S/c1-18-6-5-15-14(16(18)9-13(10-18)25-26(22,23)24)4-3-11-7-12(20)8-17(21)19(11,15)2/h8,11,13-16,20H,3-7,9-10H2,1-2H3,(H,22,23,24)/t11?,13-,14-,15+,16+,18-,19+/m1/s1
HMDB00385	12a-Hydroxy-3-oxocholadienic acid	C[C@H](CCC(O)=O)C1CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C	InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17?,18?,19?,20?,21+,23+,24-/m1/s1
HMDB00384	3a,7a-Dihydroxycholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
HMDB11201	PC(20:3(8Z,11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,46H,6-13,15,17-19,24-25,27,29-45H2,1-5H3/b16-14-,22-20-,23-21-,28-26-/t46-/m1/s1
HMDB11202	PC(22:1(13Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h17,19-20,22,46H,6-16,18,21,23-45H2,1-5H3/b19-17-,22-20-/t46-/m1/s1
HMDB11203	PC(P-16:0/14:0)	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h30,33,37H,6-29,31-32,34-36H2,1-5H3/b33-30-/t37-/m1/s1
HMDB11204	PC(P-16:0/14:1(9Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15,30,33,37H,6-12,14,16-29,31-32,34-36H2,1-5H3/b15-13-,33-30-/t37-/m1/s1
HMDB11205	PC(P-16:0/15:0)	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/b34-31-/t38-/m1/s1
HMDB11206	PC(P-16:0/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-/t39-/m1/s1
HMDB11207	PC(P-16:0/16:1(9Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,32,35,39H,6-16,18,20-31,33-34,36-38H2,1-5H3/b19-17-,35-32-/t39-/m1/s1
HMDB43400	TG(15:0/18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h20,23,28,34,58H,4-19,21-22,24-27,29-33,35-57H2,1-3H3/b23-20-,34-28-
HMDB56289	DG(18:2n6/0:0/22:5n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,22-24,27,29,33,35,42,45H,3-10,12,15,18,21,25-26,28,30-32,34,36-41H2,1-2H3/b13-11-,16-14-,19-17-,23-22-,24-20-,29-27-,35-33-
HMDB56288	DG(18:2n6/0:0/22:4n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,22-24,27,29,42,45H,3-10,12,15,18,21,25-26,28,30-41H2,1-2H3/b13-11-,16-14-,19-17-,23-22-,24-20-,29-27-
HMDB13527	PGP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,41-42,45H,3-10,12,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1
HMDB05099	Thromboxane B3	CC\C=C\CC(O)\C=C\C1OC(O)CC(O)C1C\C=C\CCCC(O)=O	InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3+,7-4+,13-12+
HMDB48884	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,30-31,36,39,57H,4-13,15,18,20,22,28-29,32-35,37-38,40-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,39-36-
HMDB05095	11-trans-Leukotriene C4	CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O	InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9+,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
HMDB05096	N-Arachidonoyl glycine	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(O)=O	InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
HMDB48887	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32,34,39,42,60H,4-15,18,22-23,29-31,33,35-38,40-41,43-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-
HMDB48880	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,32,34,39,42,60H,4-16,18-19,22-23,29-31,33,35-38,40-41,43-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-32-,42-39-
HMDB48881	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,41,44,62H,4-16,18-19,22-23,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-,44-41-
HMDB48882	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-32,36,39,57H,4-15,17-18,22,26,29,33-35,37-38,40-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,39-36-
HMDB48883	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,35,37-38,40,56H,4-15,18,22-23,28,32-34,36,39,41-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-
HMDB43406	TG(15:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30-32,38,41,54H,4-19,21-22,24,26,29,33-37,39-40,42-53H2,1-3H3/b23-20-,27-25-,30-28-,32-31-,41-38-
HMDB50896	TG(20:3(5Z,8Z,11Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,35-36,39-40,43,57H,4-15,17-18,20-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-
HMDB50897	TG(20:3(5Z,8Z,11Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-15,17-18,20-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-
HMDB55951	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB50893	TG(20:3(5Z,8Z,11Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,39,42,55H,4-15,17-18,20-24,29-30,35-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB53376	TG(20:2n6/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,31,34,55H,4-6,8-9,11-13,15,18,20,22,28-30,32-33,35-54H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,34-31-
HMDB53377	TG(20:2n6/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,31,34,39,42,55H,4-6,8-9,11-13,15,18,20,22,28-30,32-33,35-38,40-41,43-54H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,34-31-,42-39-
HMDB53374	TG(20:2n6/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20-22,24-26,28,53H,4-7,9-10,12,14-15,18-19,23,27,29-52H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,28-26-
HMDB53375	TG(20:2n6/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20-22,24-26,28,33,36,53H,4-7,9-10,12,14-15,18-19,23,27,29-32,34-35,37-52H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,28-26-,36-33-
HMDB50939	TG(20:3(5Z,8Z,11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB50938	TG(20:3(5Z,8Z,11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB53370	TG(20:2n6/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,31,34,39,42,55H,4-13,15,18,20,22,28-30,32-33,35-38,40-41,43-54H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,34-31-,42-39-
HMDB53371	TG(20:2n6/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,57H,4-13,15,18,20,22,28-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-
HMDB50935	TG(20:3(5Z,8Z,11Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,30,32,34,36,39-40,43,56H,4-7,9-10,12-16,18-19,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB50934	TG(20:3(5Z,8Z,11Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,30,32,34,40,43,56H,4-7,9-10,12-16,18-19,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,34-32-,43-40-
HMDB50937	TG(20:3(5Z,8Z,11Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-36,41-42,44-45,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB50936	TG(20:3(5Z,8Z,11Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-36,42,45,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,36-34-,45-42-
HMDB50931	TG(20:3(5Z,8Z,11Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,35,37,43,46,60H,4-15,17-18,20-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,37-35-,46-43-
HMDB50930	TG(20:3(5Z,8Z,11Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-36,41-42,44-45,58H,4-15,17-18,20-24,27,30-32,37-40,43,46-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB50933	TG(20:3(5Z,8Z,11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-15,17-18,20-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB50932	TG(20:3(5Z,8Z,11Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-15,17-18,20-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB55294	TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,33,59H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-
HMDB55293	TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,40,43,49,52,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-
HMDB55957	DG(14:0/0:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3
HMDB55802	TG(20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-6,9,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB55292	TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,40,43,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-
HMDB55291	TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,38,44,47,60H,4-7,10,13-15,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB55290	TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,38,60H,4-7,10,13-15,22-24,30-33,36-37,39-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-
HMDB57329	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-34,36-37,40-43,49-50,53-54,61,65,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,35,38-39,44-48,51-52,55-60,62-64,66-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-/t81?,82-,83-/m1/s1
HMDB57328	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB57589	CL(16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,39-40,42,50,54,75-77,82H,5-20,22-24,27,29,31,34,37-38,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,32-28-,36-33-,39-35-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57588	CL(16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,40,42,50,54,75-77,82H,5-20,22-24,29,34-35,37-39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB49825	TG(18:1(9Z)/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,40,66H,4-24,26,29-39,41-65H2,1-3H3/b28-25-,40-27-
HMDB49824	TG(18:1(9Z)/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-
HMDB49827	TG(18:1(9Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17,20,26-27,34-35,40,43,60H,4-16,18-19,21-25,28-33,36-39,41-42,44-59H2,1-3H3/b20-17-,34-26-,35-27-,43-40-
HMDB49826	TG(18:1(9Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,35-36,61H,4-19,21-22,24-26,28,30-34,37-60H2,1-3H3/b23-20-,35-27-,36-29-
HMDB49821	TG(18:1(9Z)/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h26-27,34-35,60H,4-25,28-33,36-59H2,1-3H3/b34-26-,35-27-
HMDB49820	TG(18:1(9Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h27,33,59H,4-26,28-32,34-58H2,1-3H3/b33-27-
HMDB06013	7a,17-dimethyl-5b-Androstane-3a,17b-diol	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H36O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1
HMDB06012	Epimetendiol	[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2(C)C[C@H](O)C=C[C@]12C	InChI=1S/C21H34O2/c1-18-9-6-15-16(19(18,2)10-5-14(22)13-18)7-11-20(3)17(15)8-12-21(20,4)23/h5,10,14-17,22-23H,6-9,11-13H2,1-4H3/t14-,15-,16+,17+,18-,19-,20+,21-/m1/s1
HMDB52421	TG(18:2(9Z,12Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,33-31-
HMDB52420	TG(18:2(9Z,12Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,33,35,52H,4-7,9-10,12-16,18,21,23-25,30-32,34,36-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-,35-33-
HMDB52423	TG(18:2(9Z,12Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,35,38,56H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,38-35-
HMDB52422	TG(18:2(9Z,12Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,38,41,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,33-31-,41-38-
HMDB49829	TG(18:1(9Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36-37,40,62H,4-16,18-19,21-25,28,30-35,38-39,41-61H2,1-3H3/b20-17-,29-26-,36-27-,40-37-
HMDB49828	TG(18:1(9Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,35,61H,4-13,15-16,18-22,24-25,28-34,36-60H2,1-3H3/b17-14-,26-23-,35-27-
HMDB52427	TG(18:2(9Z,12Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26-29,33,36,53H,4-16,18,21,23-25,30-32,34-35,37-52H2,1-3H3/b20-17-,22-19-,28-26-,29-27-,36-33-
HMDB52426	TG(18:2(9Z,12Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,27-30,54H,4-18,21,24-26,31-53H2,1-3H3/b22-19-,23-20-,29-27-,30-28-
HMDB57323	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-67,70-71,87-89,94H,5-8,10,12,14,16-20,24,28-32,36,40-42,49-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB57322	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-8,10-12,14-20,24,28-32,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57583	CL(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(84,85)90-66-72(79)67-91-97(86,87)93-71-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2/h25-32,35,37,72-74,79H,5-24,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB57582	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-34,36,38-40,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56425	CL(16:0/16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB56424	CL(16:0/16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-26,30,33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,27-29,31-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56427	CL(16:0/16:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h33-34,69-71,76H,5-32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b34-33-/t69?,70-,71-/m1/s1
HMDB56426	CL(16:0/16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56421	CL(16:0/16:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25,29,34,36,71-73,78H,5-24,26-28,30-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,36-34-/t71?,72-,73-/m1/s1
HMDB56420	CL(16:0/16:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t71?,72-,73-/m1/s1
HMDB56423	CL(16:0/16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-26,30,33,35,38,42,50,54,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB56422	CL(16:0/16:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1
HMDB56429	CL(16:0/16:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h28,32-34,69-71,76H,5-27,29-31,35-68H2,1-4H3,(H,81,82)(H,83,84)/b32-28-,34-33-/t69?,70-,71-/m1/s1
HMDB56428	CL(16:0/16:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71?,72-,73-/m1/s1
HMDB03146	(3R,3'R,9-cis)-b,b-Carotene-3,3'-diol	C/C(/C=C/C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t35-,36-/m1/s1
HMDB03141	Retinoyl b-glucuronide	O[C@@H]1[C@@H](O)[C@@H](O[C@H](C(O)=O)[C@H]1O)OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1
HMDB46931	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,45,48,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,21-18-,30-27-,39-36-,48-45-
HMDB03148	Argininic acid	NC(=N)NCCC[C@H](O)C(O)=O	InChI=1S/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m0/s1
HMDB55800	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,9,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB02815	LysoPC(18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
HMDB05849	4-Androstenediol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@@H](O)CC[C@]12C	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
HMDB05846	Ethyl isopropyl ketone	CCC(=O)C(C)C	InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
HMDB05844	8-isoprostaglandin E2	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m0/s1
HMDB05843	Allyl isothiocyanate	C=CCN=C=S	InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
HMDB05842	2-Oxohexane	CCCCC(C)=O	InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
HMDB05841	Ethyl isobutyl ketone	CCC(=O)CC(C)C	InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
HMDB33088	()-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde	OC1=CC=C(C=C1O)C1OC2=C(O1)C=C(C=O)C=C2	InChI=1S/C14H10O5/c15-7-8-1-4-12-13(5-8)19-14(18-12)9-2-3-10(16)11(17)6-9/h1-7,14,16-17H
HMDB33089	Stigmasta-7,22,25-trien-3-ol; (3b,5a,22E,24S)-form, O-b-D-Glucopyranoside	CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)=C	InChI=1S/C35H56O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,21-24,26-33,36-39H,2,7,10,12-19H2,1,3-6H3/b9-8+
HMDB33086	Cyclocurcumin	COC1=CC(\C=C\C2=CC(=O)CC(O2)C2=CC=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C21H20O6/c1-25-20-9-13(4-7-17(20)23)3-6-16-11-15(22)12-19(27-16)14-5-8-18(24)21(10-14)26-2/h3-11,19,23-24H,12H2,1-2H3/b6-3+
HMDB33087	Donhexocin	CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33(40)23-24-34(41)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3
HMDB33084	7-Hydroxydehydroglaucine	COC1=CC2=C3C(N(C)CC2)=C(O)C2=CC(OC)=C(OC)C=C2C3=C1OC	InChI=1S/C21H23NO5/c1-22-7-6-11-8-16(26-4)21(27-5)18-12-9-14(24-2)15(25-3)10-13(12)20(23)19(22)17(11)18/h8-10,23H,6-7H2,1-5H3
HMDB33085	Corchorusoside D	CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(CO)C(CCC3C2C(O)CC2(C)C(CCC32O)C2=CC(=O)OC2)C1	InChI=1S/C35H54O14/c1-16-31(49-32-30(43)29(42)28(41)24(13-36)48-32)22(38)11-26(46-16)47-19-5-7-34(15-37)18(10-19)3-4-21-27(34)23(39)12-33(2)20(6-8-35(21,33)44)17-9-25(40)45-14-17/h9,16,18-24,26-32,36-39,41-44H,3-8,10-15H2,1-2H3
HMDB33082	3-(4-Hydroxyphenyl)-1,2-propanediol; ()-form, 4'-O-b-D-Glucopyranoside	OCC(O)CC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C15H22O8/c16-6-9(18)5-8-1-3-10(4-2-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h1-4,9,11-21H,5-7H2
HMDB33083	(4S)-Dihydrocurcumenone	CC(O)CCC1C2CC(=C(C)C)C(=O)CC12C	InChI=1S/C15H24O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h10,12-13,16H,5-8H2,1-4H3
HMDB33080	Antibiotic CJ 15544	CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(=O)C56O)C3(C)CCC2(C)CC1	InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-19,21,26,28-29H,6-11H2,1-4H3
HMDB33081	Antibiotic CP 412065	CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(O)C56O)C3(C)CCC2(C)C=C1	InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,7-8,12,15,17-21,26-29H,6,9-11H2,1-4H3
HMDB31813	2-Amino-2-(4-hydroxyphenyl)acetic acid; ()-form, N-Carbamoyl	NC(=O)NC(C(O)=O)C1=CC=C(O)C=C1	InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)
HMDB31812	Oxfendazole	COC(=O)NC1=NC2=CC(=CC=C2N1)S(=O)C1=CC=CC=C1	InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
HMDB31811	3,5-Dimethylphenyl methylcarbamate	CNC(=O)OC1=CC(C)=CC(C)=C1	InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
HMDB31810	Tridemorph	CCCCCCCCCCCCCN1CC(C)OC(C)C1	InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
HMDB31817	Cuminyl alcohol	CC(C)C1=CC=C(CO)C=C1	InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
HMDB31816	3-Hydroxyflavone	OC1=C(OC2=CC=CC=C2C1=O)C1=CC=CC=C1	InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
HMDB31815	Dicloralurea	OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	InChI=1S/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)
HMDB31814	Vitisin C	OC1=CC=C(C=C1)C1OC2=C(C=C(\C=C\C3=CC(O)=CC4=C3C(C(O4)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C=C2)C1C1=C2C(C(OC2=CC(O)=C1)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1+
HMDB50113	TG(18:1(9Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,36,40,43,49,52,62H,4-15,18,21-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-
HMDB50112	TG(18:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32,34,36,40,43,62H,4-15,18,21-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,36-27-,43-40-
HMDB31819	45-Hydroxyyessotoxin	CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)C(O)C=C	InChI=1S/C55H82O22S2/c1-10-30(56)27(2)11-14-51(5,58)50-29(4)19-39-38(72-50)25-46-55(9,75-39)49(57)48-42(71-46)23-41-47(73-48)28(3)12-15-53(7)44(70-41)26-43-54(8,77-53)16-13-31-32(69-43)20-34-33(66-31)21-35-36(67-34)22-40-37(68-35)24-45(76-79(62,63)64)52(6,74-40)17-18-65-78(59,60)61/h10-11,14,28,30-50,56-58H,1-2,4,12-13,15-26H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b14-11+
HMDB31818	D-2,3-Dihydroxypropanoic acid	OCC(O)C(O)=O	InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)
HMDB50117	TG(18:1(9Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34-35,38,44,47,60H,4-7,9-10,12-15,18,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB50116	TG(18:1(9Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34-35,38,60H,4-7,9-10,12-15,18,21-24,30-33,36-37,39-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,38-35-
HMDB50115	TG(18:1(9Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,32-33,38,41,58H,4-7,9-10,12-15,18,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,33-27-,41-38-
HMDB50114	TG(18:1(9Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,32-33,58H,4-7,9-10,12-15,18,21-24,29-31,34-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,32-26-,33-27-
HMDB55485	TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,38-40,42-44,47,60H,4-7,10,13-15,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB57236	CL(18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB03850	1-Phosphatidyl-1D-myo-inositol 3-phosphate	O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(=O)OC[C@@H](CC(O)=O)C(O)=O)[C@@H]1O	InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5+,6+,7-,8-,9-,10+/m1/s1
HMDB03851	3a,7a-Dihydroxy-5b-cholestanate	[H][C@@]12CC[C@](O)(CCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H32O3/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h13,16-18,22,24H,3-12H2,1-2H3/t16-,17+,18+,19+,20+,21+/m1/s1
HMDB55801	TG(20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB09285	PE(20:2(11Z,14Z)/15:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-/t38-/m1/s1
HMDB09284	PE(20:2(11Z,14Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,37H,3-9,14-15,18-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-/t37-/m1/s1
HMDB09287	PE(20:2(11Z,14Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,39H,3-10,12,15,19-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t39-/m1/s1
HMDB09286	PE(20:2(11Z,14Z)/16:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,39H,3-10,12,14-16,19-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-/t39-/m1/s1
HMDB09281	PE(20:1(11Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,35,38,42H,3-13,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,38-35-/t42-/m1/s1
HMDB09280	PE(20:1(11Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1
HMDB09283	PE(20:2(11Z,14Z)/14:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,37H,3-10,12,14-15,18-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-/t37-/m1/s1
HMDB09282	PE(20:1(11Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,35,38,42H,3-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,38-35-/t42-/m1/s1
HMDB09289	PE(20:2(11Z,14Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,41H,3-10,12,15,18,20-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-/t41-/m1/s1
HMDB09288	PE(20:2(11Z,14Z)/18:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,41H,3-10,12,14-16,18,20-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-/t41-/m1/s1
HMDB45348	TG(18:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-
HMDB45349	TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,32,35,56H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-31,33-34,36-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,35-32-
HMDB57468	CL(16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,26,29-30,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB57469	CL(16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB45340	TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30-31,33,36,39-40,43,58H,4-6,8,11,13-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-
HMDB45341	TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-6,8,11,13-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-
HMDB45342	TG(18:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,55H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-54H2,1-3H3/b12-9-,21-18-,30-27-,39-36-
HMDB45343	TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,56H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-55H2,1-3H3/b10-7-,19-16-,28-25-,35-32-
HMDB45344	TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,58H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,29-26-,37-34-
HMDB45345	TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,29-26-,39-36-
HMDB45346	TG(18:0/20:4(8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-61H2,1-3H3/b11-8-,20-17-,29-26-,41-38-
HMDB45347	TG(18:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,52H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-
HMDB40196	Oxalic acid dibutyl ester	CCCCOC(=O)C(=O)OCCCC	InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
HMDB40197	2,5-Dimethyl-3-furanthiol	CC1=CC(S)=C(C)O1	InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3
HMDB40194	Methyl 2-nonenoate	CCCCCC\C=C/C(=O)OC	InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8-
HMDB40195	Ethyl octanoate	CCCCCCCC(=O)OCC	InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
HMDB40192	N-Nitrosothiazolidine-4-carboxylic acid	OC(=O)C1CSCN1N=O	InChI=1S/C4H6N2O3S/c7-4(8)3-1-10-2-6(3)5-9/h3H,1-2H2,(H,7,8)
HMDB40193	Nonanoic acid, 9CI; Et ester	CCCCCCCCC(=O)OCC	InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
HMDB40190	1-Bromo-3-iodoacetone	BrCC(=O)CI	InChI=1S/C3H4BrIO/c4-1-3(6)2-5/h1-2H2
HMDB40191	()-2-Methylhexanal	CCCCC(C)C=O	InChI=1S/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3
HMDB08880	PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,28,30,39H,3-4,6,8-9,14-15,18,21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t39-/m1/s1
HMDB08881	PE(14:1(9Z)/24:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h10,12,41H,3-9,11,13-40,44H2,1-2H3,(H,47,48)/b12-10-/t41-/m1/s1
HMDB08882	PE(14:1(9Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h10,12,16-17,41H,3-9,11,13-15,18-40,44H2,1-2H3,(H,47,48)/b12-10-,17-16-/t41-/m1/s1
HMDB08883	PE(14:1(9Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C35H68NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-34(33-43-44(38,39)42-31-29-36)32-41-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12,27,30,34H,3-9,11,13-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b12-10-,30-27-/t34-/m1/s1
HMDB08884	PE(14:1(9Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,29,32,36H,3-9,11,13-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,32-29-/t36-/m1/s1
HMDB08885	PE(14:1(9Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12-13,15,29,32,36H,3-9,11,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,15-13-,32-29-/t36-/m1/s1
HMDB08886	PE(14:1(9Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12,16-17,29,32,36H,3-9,11,13-15,18-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,17-16-,32-29-/t36-/m1/s1
HMDB08887	PE(15:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-19-16-14-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1
HMDB09759	PE(24:1(15Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47H,3-11,13,15-16,21-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t47-/m1/s1
HMDB09758	PE(24:1(15Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17-20,47H,3-16,21-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-/t47-/m1/s1
HMDB09753	PE(24:1(15Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,45H,3-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-/t45-/m1/s1
HMDB09752	PE(24:1(15Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h17-19,25,45H,3-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b19-17-,25-18-/t45-/m1/s1
HMDB09751	PE(24:1(15Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,45H,3-13,15,18,20-44,48H2,1-2H3,(H,51,52)/b16-14-,19-17-/t45-/m1/s1
HMDB09750	PE(24:1(15Z)/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1
HMDB09757	PE(24:1(15Z)/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17,19,47H,3-16,18,20-46,50H2,1-2H3,(H,53,54)/b19-17-/t47-/m1/s1
HMDB09756	PE(24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,30,32,45H,3-5,7,9-11,13,15-16,20-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-,32-30-/t45-/m1/s1
HMDB09755	PE(24:1(15Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,45H,3-5,7,9-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-/t45-/m1/s1
HMDB09754	PE(24:1(15Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,30,32,45H,3-11,13,15-16,20-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-,32-30-/t45-/m1/s1
HMDB01568	trans-2-Octenoic acid	CCCCC\C=C\C(O)=O	InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
HMDB01569	Epi-coprostanol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1
HMDB01564	CDP-Ethanolamine	NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O	InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1
HMDB01565	Phosphorylcholine	C[N+](C)(C)CCOP(O)(O)=O	InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
HMDB01566	3-Methylguanine	CN1C2=C(NC=N2)C(=O)N=C1N	InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)
HMDB01562	N5-Formyl-THF	NC1=NC2=C(N(C=O)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1	InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)
HMDB01563	1-Methylguanosine	CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O	InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1
HMDB40448	2-(1-Methylpropyl)cyclohexanone	CCC(C)C1CCCCC1=O	InChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3
HMDB40449	2-(Ethoxymethyl)phenol	CCOCC1=C(O)C=CC=C1	InChI=1S/C9H12O2/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3
HMDB40445	2-(Ethoxymethyl)furan	CCOCC1=CC=CO1	InChI=1S/C7H10O2/c1-2-8-6-7-4-3-5-9-7/h3-5H,2,6H2,1H3
HMDB40446	Benzyl acetoacetate	CC(=O)CC(=O)OCC1=CC=CC=C1.C\C(O)=C/C(=O)OCC1=CC=CC=C1	InChI=1S/2C11H12O3/c2*1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3;2-7,12H,8H2,1H3/b;9-7+
HMDB40447	Butyl acetoacetate	CCCCOC(=O)CC(C)=O.CCCCOC(=O)\C=C(/C)O	InChI=1S/2C8H14O3/c2*1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3;6,9H,3-5H2,1-2H3/b;7-6+
HMDB40441	Dictyoquinazol B	COC1=CC(CO)=C(C=C1)N1CN(C=O)C2=C(C1)C=C(OC)C=C2	InChI=1S/C18H20N2O4/c1-23-15-3-5-17-13(7-15)9-19(11-20(17)12-22)18-6-4-16(24-2)8-14(18)10-21/h3-8,12,21H,9-11H2,1-2H3
HMDB40442	Dictyoquinazol C	COC1=CC(CO)=C(C=C1)N1CN(C=O)C2=C(C=C(OC)C=C2)C1=O	InChI=1S/C18H18N2O5/c1-24-13-3-5-16(12(7-13)9-21)20-10-19(11-22)17-6-4-14(25-2)8-15(17)18(20)23/h3-8,11,21H,9-10H2,1-2H3
HMDB40443	3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine	CN1C(N)=NC2=C1C=CC1=C2N=CC=N1	InChI=1S/C10H9N5/c1-15-7-3-2-6-8(13-5-4-12-6)9(7)14-10(15)11/h2-5H,1H3,(H2,11,14)
HMDB48691	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-15,17-18,20,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB48690	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,34,36-37,39,43,46,58H,4-15,17-18,20,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB48693	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,33,35,38-39,42,54H,4-7,9-10,12-16,18-19,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB48692	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,33,39,42,54H,4-7,9-10,12-16,18-19,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,33-30-,42-39-
HMDB48695	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31-32,34-35,40-41,43-44,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB48694	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB48697	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB48696	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,34,36-37,39,43,46,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB48699	TG(16:1(9Z)/22:1(13Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20-21,23-26,54H,4-19,22,27-53H2,1-3H3/b23-20-,24-21-,26-25-
HMDB48698	TG(16:1(9Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,39,42,55H,4-20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b24-21-,27-25-,33-30-,42-39-
HMDB43184	TG(15:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,38,41,51H,4-14,17,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-,41-38-
HMDB43185	TG(15:0/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,47H,4-6,8-9,11-14,17,20-23,26-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-
HMDB43006	TG(15:0/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,50H,4-15,17-18,20-24,27,30-49H2,1-3H3/b19-16-,26-25-,29-28-
HMDB43187	TG(15:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,49H,4-6,8-9,11-14,17,20-23,26,29-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-
HMDB43180	TG(15:0/14:1(9Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,49H,4-14,17,20-23,26,29-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-
HMDB43181	TG(15:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,36,49H,4-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,36-33-
HMDB43182	TG(15:0/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,51H,4-14,17,20-23,26-50H2,1-3H3/b18-15-,19-16-,25-24-
HMDB43183	TG(15:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,51H,4-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-
HMDB49129	TG(18:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,32,35,52H,4-6,8-9,11-15,17-18,21-22,24,26,28-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,35-32-
HMDB43188	TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,33,36,49H,4-6,8-9,11-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,36-33-
HMDB43189	TG(15:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-
HMDB47874	TG(14:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,42,45,58H,4-14,16,19,21-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-,45-42-
HMDB47875	TG(14:1(9Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,60H,4-14,16,19,21-24,26,28-59H2,1-3H3/b18-15-,20-17-,27-25-
HMDB47876	TG(14:1(9Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,38,41,60H,4-14,16,19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,41-38-
HMDB47877	TG(14:1(9Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,34,38,41,47,50,60H,4-14,16,19,21-24,26,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b18-15-,20-17-,27-25-,34-32-,41-38-,50-47-
HMDB47870	TG(14:1(9Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,33,57H,4-14,16-17,19,21-22,24-26,28-32,34-56H2,1-3H3/b18-15-,23-20-,33-27-
HMDB42251	TG(14:0/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h25,32,56H,4-24,26-31,33-55H2,1-3H3/b32-25-
HMDB47872	TG(14:1(9Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,57H,4-13,16,19-22,24,26-56H2,1-3H3/b17-14-,18-15-,25-23-
HMDB47873	TG(14:1(9Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,58H,4-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-
HMDB42250	TG(14:0/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB47878	TG(14:1(9Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-
HMDB47879	TG(14:1(9Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,32,37,40,56H,4-7,9-10,12-14,16,19,21-24,26-31,33-36,38-39,41-55H2,1-3H3/b11-8-,18-15-,20-17-,32-25-,40-37-
HMDB35660	5-Hydroxy-7-docosanone	CCCCCCCCCCCCCCCC(=O)CC(O)CCCC	InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-6-4-2/h21,23H,3-20H2,1-2H3
HMDB35661	Cobaltous chloride	[Cl-].[Cl-].[Co++]	InChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2
HMDB35662	Nerolidol	CC(C)=CCCC(C)=CCCC(C)(O)C=C	InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
HMDB35663	(S)-Nerolidol	C=C[C@@](C)(O)CC\C=C(\C)CCC=C(C)C	InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1
HMDB35664	Dukunolide B	CC12OC(=O)C3OC13C(C)(C)C(=O)C1(O)CC34OC3CCC3(C)C(OC(=O)C(=C43)C21O)C1=COC=C1	InChI=1S/C26H26O10/c1-20(2)19(29)24(30)10-23-12(34-23)5-7-21(3)14(23)13(17(27)33-15(21)11-6-8-32-9-11)25(24,31)22(4)26(20)16(35-26)18(28)36-22/h6,8-9,12,15-16,30-31H,5,7,10H2,1-4H3
HMDB35665	L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid	OC(=O)C1CC2=C(CN1)NC1=CC=CC=C21	InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)
HMDB35667	4-Hydroxy-6-docosanone	CCCCCCCCCCCCCCCCC(=O)CC(O)CCC	InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-4-2/h21,23H,3-20H2,1-2H3
HMDB35668	6-Hydroxy-8-heneicosanone	CCCCCCCCCCCCCC(=O)CC(O)CCCCC	InChI=1S/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h20,22H,3-19H2,1-2H3
HMDB35669	8-Hydroxy-6-heneicosanone	CCCCCCCCCCCCCC(O)CC(=O)CCCCC	InChI=1S/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h21,23H,3-19H2,1-2H3
HMDB46699	TG(22:0/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,33,59H,4-8,10-11,13,15-16,19-20,22,24-25,28-32,34-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,33-27-
HMDB46698	TG(22:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,35,40,43,49,52,63H,4-14,17,20-23,26,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,35-33-,43-40-,52-49-
HMDB46693	TG(22:0/20:2n6/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,23-24,26-27,60H,4-13,16,19-22,25,28-59H2,1-3H3/b17-14-,18-15-,26-23-,27-24-
HMDB46692	TG(22:0/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,33,39,42,59H,4-13,15-16,19-20,22,24-25,28-32,34-38,40-41,43-58H2,1-3H3/b17-14-,21-18-,26-23-,33-27-,42-39-
HMDB46691	TG(22:0/20:2n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-24,27,29,34,60H,4-14,16-17,19,21-22,25-26,28,30-33,35-59H2,1-3H3/b18-15-,23-20-,27-24-,34-29-
HMDB46690	TG(22:0/20:2n6/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,65H,4-14,16-17,19-23,26,29-64H2,1-3H3/b18-15-,27-24-,28-25-
HMDB46697	TG(22:0/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,35,40,43,63H,4-14,17,20-23,26,29-32,34,36-39,41-42,44-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,35-33-,43-40-
HMDB46696	TG(22:0/20:2n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,63H,4-14,17,20-23,26,29-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-
HMDB46695	TG(22:0/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,36,38,44,47,61H,4-14,16,19,21-23,25,28,30-35,37,39-43,45-46,48-60H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,38-36-,47-44-
HMDB46694	TG(22:0/20:2n6/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,36,38,61H,4-14,16,19,21-23,25,28,30-35,37,39-60H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,38-36-
HMDB56983	CL(18:0/18:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35,39,75-77,82H,5-24,26-28,30-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,39-35-/t75?,76-,77-/m1/s1
HMDB33509	Protogonyautoxin 3	ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C1=N	InChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,12,19-21H,1-2H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)
HMDB33508	Gonyautoxin IV	NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O	InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)
HMDB02039	2-Pyrrolidinone	O=C1CCCN1	InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
HMDB02038	N(6)-Methyllysine	CNCCCC[C@H](N)C(O)=O	InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
HMDB33503	Small bacteriocin	CCCCCC\C=C\CCCC(O)CC(=O)NC1CCOC1=O	InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7+
HMDB33502	Lyciumoside IX	C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(COC(=O)CC(O)=O)C(O)C(O)C1O)C=C	InChI=1S/C35H56O15/c1-6-35(5,50-34-32(45)30(43)28(41)24(49-34)19-46-26(39)16-25(37)38)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)18-47-33-31(44)29(42)27(40)23(17-36)48-33/h6,10,13-14,23-24,27-34,36,40-45H,1,7-9,11-12,15-19H2,2-5H3,(H,37,38)/b20-10-,21-14+,22-13+
HMDB02035	4-Hydroxycinnamic acid	OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
HMDB02034	Homolanthionine	NC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C8H16N2O6S/c9-5(7(11)12)1-3-17(15,16)4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
HMDB33507	Gonyautoxin II	NC(=O)OCC1NC(=N)N2CC(OS(O)(=O)=O)C(O)(O)C22NC(=N)NC12	InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)
HMDB33506	Gonyautoxin I	NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O	InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)
HMDB02031	Ureidoisobutyric acid	CC(CNC(N)=O)C(O)=O	InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)
HMDB02030	Fructosamine	NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1
HMDB41319	Cinnamyl anthranilate	NC1=CC=CC=C1C(=O)OC\C=C/C1=CC=CC=C1	InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6-
HMDB41318	Cinnamyl isovalerate	CC(C)CC(=O)OC\C=C/C1=CC=CC=C1	InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6-
HMDB41317	Cinnamyl isobutyrate	CC(C)C(=O)OC\C=C/C1=CC=CC=C1	InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6-
HMDB41316	Cinnamyl butyrate	CCCC(=O)OC\C=C/C1=CC=CC=C1	InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6-
HMDB41315	Cinnamyl propionate	CCC(=O)OC\C=C/C1=CC=CC=C1	InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6-
HMDB41314	4-tert-Butylphenyl salicylate	CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1	InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3
HMDB41313	Pantothenamide	CC(C)(CO)C(O)C(=O)NCCC(N)=O	InChI=1S/C9H18N2O4/c1-9(2,5-12)7(14)8(15)11-4-3-6(10)13/h7,12,14H,3-5H2,1-2H3,(H2,10,13)(H,11,15)
HMDB41312	Myristicanol B	COC1=CC=C(C=C1OC)C(O)C(C)OC1=C(OC)C=C(\C=C/CO)C=C1OC	InChI=1S/C22H28O7/c1-14(21(24)16-8-9-17(25-2)18(13-16)26-3)29-22-19(27-4)11-15(7-6-10-23)12-20(22)28-5/h6-9,11-14,21,23-24H,10H2,1-5H3/b7-6-
HMDB41311	Myristicanol A	COC1=CC(\C=C/CO)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C(OC)=C1	InChI=1S/C23H30O8/c1-14(21(25)16-12-19(28-4)22(30-6)20(13-16)29-5)31-23-17(26-2)10-15(8-7-9-24)11-18(23)27-3/h7-8,10-14,21,24-25H,9H2,1-6H3/b8-7-
HMDB41310	Luteoforol	OC1CC(OC2=C1C(O)=CC(O)=C2)C1=CC(O)=C(O)C=C1	InChI=1S/C15H14O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,12-13,16-20H,6H2
HMDB34043	Tricetanidin	OC1=CC2=C(C=CC(=[O+]2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1	InChI=1S/C15H10O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h1-6H,(H4-,16,17,18,19,20)/p+1
HMDB34042	Lucernol	OC1=CC=C2C(OC3=C2C(=O)OC2=CC(O)=C(O)C=C32)=C1	InChI=1S/C15H8O6/c16-6-1-2-7-11(3-6)20-14-8-4-9(17)10(18)5-12(8)21-15(19)13(7)14/h1-5,16-18H
HMDB34041	Glyceollin III	CC(=C)C1CC2=CC3=C(OCC4(O)C3OC3=CC(O)=CC=C43)C=C2O1	InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3
HMDB34040	2,4,6-Triethyl-1,3,5-trioxane	CCC1OC(CC)OC(CC)O1	InChI=1S/C9H18O3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3
HMDB34047	2'-Hydroxy-4',6'-dimethoxy-3'-methylacetophenone	COC1=CC(OC)=C(C)C(O)=C1C(C)=O	InChI=1S/C11H14O4/c1-6-8(14-3)5-9(15-4)10(7(2)12)11(6)13/h5,13H,1-4H3
HMDB34046	1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene	COC1=C(OC)C(OC)=C(OC)C(CC=C)=C1	InChI=1S/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3
HMDB34045	Glucocleomin	CCC(C)(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C12H23NO10S2/c1-3-12(2,18)4-7(13-23-25(19,20)21)24-11-10(17)9(16)8(15)6(5-14)22-11/h6,8-11,14-18H,3-5H2,1-2H3,(H,19,20,21)/b13-7+
HMDB34044	Capsianside A	CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(OC(=O)C(\C)=C/C(O)C\C(C)=C/CC\C(C)=C/CCC(C)(OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C1O	InChI=1S/C76H124O33/c1-13-75(11,108-72-63(94)57(88)53(84)47(33-78)102-72)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-66-59(90)50(81)43(9)100-73(66)98-36-49-55(86)58(89)62(93)71(104-49)106-65-51(82)44(10)99-69(64(65)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(60(91)54(85)48(34-79)103-74)107-70-61(92)56(87)52(83)46(32-77)101-70/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20-,38-27+,39-26-,40-24-,41-25+,42-31-
HMDB47258	TG(24:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36-37,39,45,48,62H,4-16,18-19,21-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,36-27-,39-37-,48-45-
HMDB47259	TG(24:0/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,38,64H,4-16,18-19,21-25,28,30-37,39-63H2,1-3H3/b20-17-,29-26-,38-27-
HMDB34049	Pachyrrhizin	COC1=CC2=C(OCO2)C=C1C1=CC2=CC3=C(OC=C3)C=C2OC1=O	InChI=1S/C19H12O6/c1-21-16-8-18-17(23-9-24-18)6-12(16)13-5-11-4-10-2-3-22-14(10)7-15(11)25-19(13)20/h2-8H,9H2,1H3
HMDB34048	Isoxanthohumol	COC1=C2C(=O)CC(OC2=C(CC=C(C)C)C(O)=C1)C1=CC=C(O)C=C1	InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
HMDB07500	DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,45,48H,3-11,13,15-16,21-26,28,30-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-/t45-/m0/s1
HMDB07501	DG(20:4(5Z,8Z,11Z,14Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23,25,35,38H,3-10,12,14-15,18,21-22,24,26-34H2,1-2H3/b13-11-,17-16-,20-19-,25-23-/t35-/m0/s1
HMDB55807	TG(22:5(7Z,10Z,13Z,16Z,19Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-
HMDB07502	DG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,23,25,35,38H,3-9,14-15,18,21-22,24,26-34H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,25-23-/t35-/m0/s1
HMDB07503	DG(20:4(5Z,8Z,11Z,14Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,36,39H,3-10,12,14-16,19,22-23,25,27-35H2,1-2H3/b13-11-,18-17-,21-20-,26-24-/t36-/m0/s1
HMDB07504	DG(20:4(5Z,8Z,11Z,14Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,25,27,37,40H,3-10,12,14-16,19,21,23-24,26,28-36H2,1-2H3/b13-11-,18-17-,22-20-,27-25-/t37-/m0/s1
HMDB07505	DG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,25,27,37,40H,3-10,12,15,19,21,23-24,26,28-36H2,1-2H3/b13-11-,16-14-,18-17-,22-20-,27-25-/t37-/m0/s1
HMDB59015	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,48,51,55,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47,49-50,52-54,56-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,48-46-,55-51-/t77?,78-,79-/m1/s1
HMDB07506	DG(20:4(5Z,8Z,11Z,14Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,39,42H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3/b13-11-,19-17-,23-22-,29-27-/t39-/m0/s1
HMDB07507	DG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,27,29,39,42H,3-10,12,15,18,20-21,24-26,28,30-38H2,1-2H3/b13-11-,16-14-,19-17-,23-22-,29-27-/t39-/m0/s1
HMDB42758	TG(14:0/18:3(9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,46H,4-6,8-9,11-13,15,18,20-22,25-45H2,1-3H3/b10-7-,17-14-,19-16-,24-23-
HMDB42759	TG(14:0/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,48H,4-6,8-9,11-15,17-18,21-22,26-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-
HMDB42756	TG(14:0/18:3(9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-53H2,1-3H3/b11-8-,20-17-,30-25-
HMDB42757	TG(14:0/18:3(9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-55H2,1-3H3/b11-8-,20-17-,32-25-
HMDB42754	TG(14:0/18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,50H,4-7,9-10,12-16,18-19,21-24,26,28-49H2,1-3H3/b11-8-,20-17-,27-25-
HMDB42755	TG(14:0/18:3(9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-51H2,1-3H3/b11-8-,20-17-,28-25-
HMDB42752	TG(14:0/18:3(9Z,12Z,15Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,47H,4-6,8-9,11-15,17-18,20-23,26-46H2,1-3H3/b10-7-,19-16-,25-24-
HMDB42753	TG(14:0/18:3(9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,48H,4-6,8-9,11-15,17-18,20-23,26-47H2,1-3H3/b10-7-,19-16-,25-24-
HMDB42750	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,42,45,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-,45-42-
HMDB42751	TG(14:0/18:3(9Z,12Z,15Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h7,10,16,19,23-24,46H,4-6,8-9,11-15,17-18,20-22,25-45H2,1-3H3/b10-7-,19-16-,24-23-
HMDB59014	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61-62,66,83-85,90H,5-9,11-13,15-20,24,29-31,39-40,43,47-49,53,55,58-60,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-/t83?,84-,85-/m1/s1
HMDB35523	Ginsenoyne N	CCCCCCCC1OC1CC#CC#CC1=CCC2CC\C(C)=C/C3C(CCC2(C)O1)C3(C)C	InChI=1S/C32H46O2/c1-6-7-8-9-12-15-29-30(33-29)16-13-10-11-14-26-20-19-25-18-17-24(2)23-28-27(31(28,3)4)21-22-32(25,5)34-26/h20,23,25,27-30H,6-9,12,15-19,21-22H2,1-5H3/b24-23-
HMDB35522	Ginsenoyne M	CCCCCCCC1OC1CC#CC#CC1=CCC2CC\C(C)=C3\CC(C)(C)C3CCC2(C)O1	InChI=1S/C32H46O2/c1-6-7-8-9-12-15-29-30(33-29)16-13-10-11-14-26-20-19-25-18-17-24(2)27-23-31(3,4)28(27)21-22-32(25,5)34-26/h20,25,28-30H,6-9,12,15-19,21-23H2,1-5H3/b27-24-
HMDB35521	Asitrocinone	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(37)18-15-12-11-13-16-19-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
HMDB57233	CL(18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB32678	2-Methylheneicosane	CCCCCCCCCCCCCCCCCCCC(C)C	InChI=1S/C22H46/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h22H,4-21H2,1-3H3
HMDB32679	Annuionone A	CC(=O)CCC1C2(C)COC1(C)CC(=O)C2	InChI=1S/C13H20O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h11H,4-8H2,1-3H3
HMDB32672	4,8,12,15-Octadecatetraenoic acid	CC\C=C/C\C=C/CC\C=C\CC\C=C\CCC(O)=O	InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10+,15-14+
HMDB32673	15-Octadecene-9,11,13-triynoic acid	CC\C=C/C#CC#CC#CCCCCCCCC(O)=O	InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,11-17H2,1H3,(H,19,20)/b4-3-
HMDB32670	2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene	CS(=O)\C=C/C#C\C=C1\OC2(CCCO2)C=C1	InChI=1S/C13H14O3S/c1-17(14)11-4-2-3-6-12-7-9-13(16-12)8-5-10-15-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+
HMDB32671	(E)-2',4,4'-Trihydroxy-3-prenylchalcone	CC(C)=CCC1=CC(\C=C\C(=O)C2=C(O)C=C(O)C=C2)=CC=C1O	InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
HMDB32676	Chloropanaxydiol	CCCCCCCC1OC1CC#CC#CC(O)C(O)CCl	InChI=1S/C17H25ClO3/c1-2-3-4-5-8-11-16-17(21-16)12-9-6-7-10-14(19)15(20)13-18/h14-17,19-20H,2-5,8,11-13H2,1H3
HMDB32677	Soyacerebroside I	CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC	InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26-
HMDB32674	(Z,Z)-2,9,16-Heptadecatriene-4,6-diyn-8-ol	C\C=C/C#CC#CC(O)\C=C\CCCCCC=C	InChI=1S/C17H22O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3-4,6,14,16-18H,1,5,7,9-10,12H2,2H3/b6-4-,16-14+
HMDB32675	Dihydropanaxacol	CCCCCCCC(O)C(O)CC#CC#CC(O)CC	InChI=1S/C17H28O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h15-20H,3-7,10,13-14H2,1-2H3
HMDB35525	Licofuranone	COC1=C(CC=C(C)C)C(O)=CC(O)=C1C1OC2=CC(O)=CC=C2C1=O	InChI=1S/C20H20O6/c1-10(2)4-6-12-14(22)9-15(23)17(19(12)25-3)20-18(24)13-7-5-11(21)8-16(13)26-20/h4-5,7-9,20-23H,6H2,1-3H3
HMDB35524	Ginsenoyne L	CCCCCCCC1OC1CC#CC#CC1=CCC2CCC(=C)C3CC(C)(C)C3CCC2(C)O1	InChI=1S/C32H46O2/c1-6-7-8-9-12-15-29-30(33-29)16-13-10-11-14-26-20-19-25-18-17-24(2)27-23-31(3,4)28(27)21-22-32(25,5)34-26/h20,25,27-30H,2,6-9,12,15-19,21-23H2,1,3-5H3
HMDB30740	11-Methoxyyangonin	COC1=CC(=O)OC(\C=C/C2=CC(OC)=C(OC)C=C2)=C1	InChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4-
HMDB37533	Rustoside	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2
HMDB30742	Helipyrone	CCC1=C(C)C(O)=C(CC2=C(O)C(C)=C(CC)OC2=O)C(=O)O1	InChI=1S/C17H20O6/c1-5-12-8(3)14(18)10(16(20)22-12)7-11-15(19)9(4)13(6-2)23-17(11)21/h18-19H,5-7H2,1-4H3
HMDB30743	(E,E)-Boviquinone 3	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O	InChI=1S/C21H28O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-20(24)18(22)13-19(23)21(17)25/h7,9,11,13,22,25H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+
HMDB30744	Hemigossypolone	CC(C)C1=C(O)C(O)=C(C=O)C2=C1C(=O)C(C)=CC2=O	InChI=1S/C15H14O5/c1-6(2)10-12-11(8(5-16)14(19)15(10)20)9(17)4-7(3)13(12)18/h4-6,19-20H,1-3H3
HMDB30745	(R)-Heraclenol	CC(C)(O)C(O)COC1=C2OC(=O)C=CC2=CC2=C1OC=C2	InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3
HMDB30746	5,7,3'-Trihydroxy-4'-methoxyflavanone	COC1=CC=C(C=C1O)C1CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3
HMDB30747	Hesperetin 7-glucoside	COC1=CC=C(C=C1O)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3
HMDB30748	Hesperetin 7-neohesperidoside	COC1=CC=C(C=C1O)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1	InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3
HMDB30749	Heterotropan	COC1=CC(OC)=C(C=C1OC)C1C(C)C(C)C1C1=CC(OC)=C(OC)C=C1OC	InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3
HMDB37538	Quercetin 3-galactoside 7-rhamnoside	CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3
HMDB37539	6''-Caffeoylhyperin	OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+
HMDB39592	Pergillin	CC(C)=C1OC2=C(C=CC3=C2COC(C)(O)C3)C1=O	InChI=1S/C15H16O4/c1-8(2)13-12(16)10-5-4-9-6-15(3,17)18-7-11(9)14(10)19-13/h4-5,17H,6-7H2,1-3H3
HMDB39593	Hericenone F	CCCCCCCCCCCCCCCC(=O)OCC1=C(C=O)C2=C(CCC(C)(CC(=O)C=C(C)C)O2)C(OC)=C1	InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(38)40-26-28-23-32(39-5)30-20-21-35(4,24-29(37)22-27(2)3)41-34(30)31(28)25-36/h22-23,25H,6-21,24,26H2,1-5H3
HMDB39590	(2E,4E)-2,4-Dodecadienal	CCCCCCC\C=C\C=C\C=O	InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+
HMDB39591	Periandrin V	CC1(C)C(CCC2(C=O)C1CCC1(C)C2CCC2C3=CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OCC(O)C(O)C1O)C(O)=O	InChI=1S/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51)
HMDB39596	Colupox a	CC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C2=C1OC(C2)C(C)(C)O	InChI=1S/C25H36O5/c1-14(2)9-11-25(12-10-15(3)4)22(27)17-13-18(24(7,8)29)30-21(17)19(23(25)28)20(26)16(5)6/h9-10,16,18,28-29H,11-13H2,1-8H3
HMDB39597	Colupdox a	CC(C)C(=O)C1=C(O)C2(CC=C(C)C)CC(OC2=C(CC2OC2(C)C)C1=O)C(C)(C)O	InChI=1S/C25H36O6/c1-13(2)9-10-25-12-17(23(5,6)29)30-22(25)15(11-16-24(7,8)31-16)20(27)18(21(25)28)19(26)14(3)4/h9,14,16-17,28-29H,10-12H2,1-8H3
HMDB39594	Hericenone G	CCCCCCCCCCCCCCCCCC(=O)OCC1=C(C=O)C2=C(CCC(C)(CC(=O)C=C(C)C)O2)C(OC)=C1	InChI=1S/C37H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(40)42-28-30-25-34(41-5)32-22-23-37(4,26-31(39)24-29(2)3)43-36(32)33(30)27-38/h24-25,27H,6-23,26,28H2,1-5H3
HMDB39595	Hericenone H	CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1=C(C=O)C2=C(CCC(C)(CC(=O)C=C(C)C)O2)C(OC)=C1	InChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(40)42-28-30-25-34(41-5)32-22-23-37(4,26-31(39)24-29(2)3)43-36(32)33(30)27-38/h10-11,13-14,24-25,27H,6-9,12,15-23,26,28H2,1-5H3/b11-10+,14-13+
HMDB39598	Colupox b	CC(C)C1CC2(CC=C(C)C)C(O1)=C(CC1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O	InChI=1S/C25H36O5/c1-13(2)9-10-25-12-17(14(3)4)29-23(25)16(11-18-24(7,8)30-18)21(27)19(22(25)28)20(26)15(5)6/h9,14-15,17-18,28H,10-12H2,1-8H3
HMDB39599	Oolonghomobisflavan A	OC1=CC(=CC(O)=C1O)C1OC2=C(CC3=C4OC(C(CC4=C(O)C=C3O)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC(O)=C(O)C(O)=C3)C(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C45H36O22/c46-22-12-24(48)20-10-34(64-44(62)16-5-30(54)38(60)31(55)6-16)40(14-1-26(50)36(58)27(51)2-14)66-42(20)18(22)9-19-23(47)13-25(49)21-11-35(65-45(63)17-7-32(56)39(61)33(57)8-17)41(67-43(19)21)15-3-28(52)37(59)29(53)4-15/h1-8,12-13,34-35,40-41,46-61H,9-11H2
HMDB38245	Bornyl formate	CC1(C)C2CCC1(C)C(C2)OC=O	InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
HMDB38244	Panaxatriol	CC12CCC(C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C)C1(C)CCCC(C)(C)O1	InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3
HMDB38247	Bornyl valerate	CCCCC(=O)OC1CC2CCC1(C)C2(C)C	InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3
HMDB38246	Bornyl butyrate	CCCC(=O)OC1CC2CCC1(C)C2(C)C	InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3
HMDB38241	Ferrous ascorbate	[Fe++].OCC(O)C1OC(=O)C(O)=C1O	InChI=1S/C6H8O6.Fe/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+2
HMDB38240	Lactococcin D53	[Zn++].CSCCC(N)C([O-])=O.CSCCC(N)C([O-])=O	InChI=1S/2C5H11NO2S.Zn/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);/q;;+2/p-2
HMDB38243	Panaxadiol	CC12CCC(C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC21C)C1(C)CCCC(C)(C)O1	InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3
HMDB38242	Ascorbyl stearate	CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O	InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3
HMDB38249	Isobornyl propionate	CCC(=O)OC1CC2CCC1(C)C2(C)C	InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3
HMDB38248	Bornyl isovalerate	CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1
HMDB59437	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-56,58,64,68,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB56753	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,27-32,38-39,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,40-35-,45-41-,46-42-,57-53-,58-54-/t77?,78-,79-/m1/s1
HMDB59435	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-50,57,61,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,51-56,58-60,62-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-/t79?,80-,81-/m1/s1
HMDB59434	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-56,58,66,70,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,57,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB59433	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-56,58,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,57,59-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-/t85?,86-,87-/m1/s1
HMDB59432	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,42-47,52-56,58,66,70,85-87,92H,5-8,11-12,15-20,24,29-31,39-41,48-51,57,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB59431	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,41-42,44-45,48,50-54,60,64,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,46-47,49,55-59,61-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-/t83?,84-,85-/m1/s1
HMDB56752	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-40,44,52,56,75-77,82H,5-20,22-24,26-32,37,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,38-34-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB59010	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-49-45-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43-45,48-50,54-56,59-60,62,66,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,46-47,51-53,57-58,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,59-55-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB56751	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38,40,44,52,56,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB59439	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,49-50,53-54,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-48,51-52,55-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-/t84-,85-/m1/s1
HMDB59438	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-56,58,64,66,68,70,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB43401	TG(15:0/18:2(9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h15,18-19,22,25-26,48H,4-14,16-17,20-21,23-24,27-47H2,1-3H3/b18-15-,22-19-,26-25-
HMDB41128	Feruloyldihydro-beta-sitosterol	[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C([H])C(=O)O[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])C4([H])C5([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])C34[H])C2([H])[H])C([H])=C1[H]	InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11-/t26-,28-,29+,30+,31?,32-,33?,34?,38+,39-/m1/s1
HMDB43403	TG(15:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,27,29,52H,4-18,21,24-26,28,30-51H2,1-3H3/b22-19-,23-20-,29-27-
HMDB43402	TG(15:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h19-20,22-23,26-27,50H,4-18,21,24-25,28-49H2,1-3H3/b22-19-,23-20-,27-26-
HMDB43405	TG(15:0/18:2(9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30,54H,4-19,21-22,24,26,29,31-53H2,1-3H3/b23-20-,27-25-,30-28-
HMDB43404	TG(15:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,26-29,52H,4-18,20-21,23-25,30-51H2,1-3H3/b22-19-,28-26-,29-27-
HMDB43407	TG(15:0/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,32,56H,4-19,21-22,24,26,29-31,33-55H2,1-3H3/b23-20-,27-25-,32-28-
HMDB41129	6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin	CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)
HMDB43408	TG(15:0/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,34,58H,4-19,21-22,24,26,29-33,35-57H2,1-3H3/b23-20-,27-25-,34-28-
HMDB56756	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-43,46-47,54-55,58-59,78-80,85H,5-20,23-24,28-30,32,35,39-40,44-45,48-53,56-57,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,36-33-,37-34-,41-38-,46-42-,47-43-,58-54-,59-55-/t78?,79-,80-/m1/s1
HMDB56755	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-42,46,54,58,77-79,84H,5-20,22-24,28-29,32,34-35,39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,40-37-,41-38-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB59013	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61-62,64,66,68,83-85,90H,5-20,24,29-31,39-40,43,47-49,53,55,58-60,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB56754	CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,43,51,55,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-42,44-50,52-54,56-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,43-39-,55-51-/t74?,75-,76-/m1/s1
HMDB59012	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,40,43-44,46,48-50,52,55,58-60,62,64,81-83,88H,5-20,24,29-31,39,41-42,45,47,51,53-54,56-57,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB41124	Artonin Q	COC(=O)C1(O)CC(=O)C2=C3OC4=C(C(O)=C5C=CC(C)(C)OC5=C4CC=C(C)C)C(=O)C3=CC(C(C)=C)=C12	InChI=1S/C31H30O8/c1-14(2)8-9-17-26-16(10-11-30(5,6)39-26)24(33)22-25(34)19-12-18(15(3)4)23-21(28(19)38-27(17)22)20(32)13-31(23,36)29(35)37-7/h8,10-12,33,36H,3,9,13H2,1-2,4-7H3
HMDB41125	Artonin R	COC(=O)C1(O)CC(=O)C2=C3OC4=C(C(O)=C5C=CC(C)(C)OC5=C4\C=C\C(C)(C)OO)C(=O)C3=CC(C(C)=C)=C12	InChI=1S/C31H30O10/c1-14(2)17-12-18-24(34)21-23(33)15-8-10-29(3,4)40-25(15)16(9-11-30(5,6)41-37)26(21)39-27(18)20-19(32)13-31(36,22(17)20)28(35)38-7/h8-12,33,36-37H,1,13H2,2-7H3/b11-9+
HMDB36379	2-Decarboxyphyllocactin	OC1C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C=C2O)\[N+](CC3)=C\C=C2/CC(NC(=C2)C(O)=O)C(O)=O)C(O)C1O	InChI=1S/C26H28N2O14/c29-16-8-15-12(2-4-28(15)3-1-11-5-13(24(36)37)27-14(6-11)25(38)39)7-17(16)41-26-23(35)22(34)21(33)18(42-26)10-40-20(32)9-19(30)31/h1,3,5,7-8,14,18,21-23,26,33-35H,2,4,6,9-10H2,(H4,29,30,31,36,37,38,39)/p+1
HMDB36378	2-Decarboxybetanin	OCC1OC(OC2=CC3=C(C=C2O)\[N+](CC3)=C\C=C2/CC(NC(=C2)C(O)=O)C(O)=O)C(O)C(O)C1O	InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-2-4-25(14(11)8-15(16)27)3-1-10-5-12(21(31)32)24-13(6-10)22(33)34/h1,3,5,7-8,13,17-20,23,26,28-30H,2,4,6,9H2,(H3,27,31,32,33,34)/p+1
HMDB36373	2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide	CCC(SSCC=C)S(=O)\C=C\C	InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,8-9H,1,6-7H2,2-3H3/b8-5+
HMDB36372	1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide	CCC(SS\C=C\C)S(=O)CC=C	InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7,9H,2,6,8H2,1,3H3/b7-4+
HMDB36371	3-Hydroxy-1-phenyl-1-eicosanone	CCCCCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1	InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21,25,27H,2-15,19,22-23H2,1H3
HMDB36370	1-(2-Propenylsulfinyl)propyl propyl disulfide	CCCSSC(CC)S(=O)CC=C	InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h5,9H,2,4,6-8H2,1,3H3
HMDB36377	7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid; 7-O-b-D-Glucopyranoside	CC1=CC(=O)C2=C(C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1)C(O)=O	InChI=1S/C17H18O10/c1-6-2-9(19)12-8(16(23)24)3-7(4-10(12)25-6)26-17-15(22)14(21)13(20)11(5-18)27-17/h2-4,11,13-15,17-18,20-22H,5H2,1H3,(H,23,24)
HMDB36376	3-(3,4-Dihydroxyphenyl)-1,2-propanediol; (x)-form, 3'-Me ether, 2-O-[(3,4,5-trihydroxybenzoyl)(-&gt;6)-b-D-glucopyranoside]	COC1=C(O)C=CC(CC(CO)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1	InChI=1S/C23H28O13/c1-33-16-5-10(2-3-13(16)25)4-12(8-24)35-23-21(31)20(30)19(29)17(36-23)9-34-22(32)11-6-14(26)18(28)15(27)7-11/h2-3,5-7,12,17,19-21,23-31H,4,8-9H2,1H3
HMDB36375	2-Propenyl 1-(propylsulfinyl)propyl disulfide	CCCS(=O)C(CC)SSCC=C	InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4,9H,1,5-8H2,2-3H3
HMDB36374	Methyl 1-(propylsulfinyl)propyl disulfide	CCCS(=O)C(CC)SSC	InChI=1S/C7H16OS3/c1-4-6-11(8)7(5-2)10-9-3/h7H,4-6H2,1-3H3
HMDB50668	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,45,48,60H,4-15,17,20,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-
HMDB58478	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-35,37-39,41,76-78,83H,5-24,26-27,30-31,33,36,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,38-34-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB58479	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34-41,76-78,83H,5-24,26-28,30-33,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,38-34-,39-35-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB58474	CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-37,39-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,38,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,42-35-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58475	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,34-39,74-76,81H,5-24,26-28,30-33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB58476	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34-35,37-39,41,76-78,83H,5-24,26-28,30-33,36,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,38-34-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB58477	CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-39,74-76,81H,5-24,26-27,30-31,33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB58470	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58471	CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-37,39-42,46,54,58,77-79,84H,5-20,22-24,26-32,38,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,40-35-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB58472	CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-37,39-43,48,52,60,64,79-81,86H,5-20,22-24,26-32,38,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,42-35-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58473	CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-37,39-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,38,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,42-35-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB15411	Practolol	CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1	InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
HMDB15410	Glucosamine	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1
HMDB15413	Sulfadoxine	COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC	InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
HMDB15412	Sulfacytine	CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O	InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)
HMDB15415	Oxtriphylline	C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O	InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1
HMDB15414	Rolitetracycline	[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C	InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1
HMDB15417	Fosphenytoin	OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)
HMDB15416	Fosamprenavir	CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1	InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1
HMDB15419	Polythiazide	CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O	InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)
HMDB15418	Josamycin	CO[C@H]1[C@H](OC(=O)C)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)CC(C)C)[C@](C)(O)C2)[C@H](N(C)C)[C@H]1O	InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
HMDB57816	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB29519	(2S)-Liquiritigenin	OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2	InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2
HMDB29518	Liqcoumarin	CC(=O)C1=C(O)C2=C(OC(=O)C=C2C)C=C1	InChI=1S/C12H10O4/c1-6-5-10(14)16-9-4-3-8(7(2)13)12(15)11(6)9/h3-5,15H,1-2H3
HMDB29513	Myricatin	OC1=CC(O)=C2C(=O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C(O)=C1	InChI=1S/C22H16O15S/c23-9-5-10(24)16-14(6-9)35-20(7-1-13(27)18(29)15(4-7)37-38(32,33)34)21(19(16)30)36-22(31)8-2-11(25)17(28)12(26)3-8/h1-6,20-21,23-29H,(H,32,33,34)
HMDB29512	4',5-Dihydroxy-7-methoxy-6-methylflavone	COC1=C(C)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C=C1	InChI=1S/C17H14O5/c1-9-13(21-2)8-15-16(17(9)20)12(19)7-14(22-15)10-3-5-11(18)6-4-10/h3-8,18,20H,1-2H3
HMDB29511	Garcinone C	CC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C2=O)C=C1O	InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3
HMDB29510	Garcinone B	CC(C)=CCC1=C(O)C=C2OC3=C(C(=O)C2=C1O)C1=C(OC(C)(C)C=C1)C(O)=C3	InChI=1S/C23H22O6/c1-11(2)5-6-12-14(24)9-17-19(20(12)26)21(27)18-13-7-8-23(3,4)29-22(13)15(25)10-16(18)28-17/h5,7-10,24-26H,6H2,1-4H3
HMDB29517	Limocitrin 3-glucoside	COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O	InChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3
HMDB29516	Limocitrin	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O	InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
HMDB29515	Licoricone	COC1=CC(O)=C(C(OC)=C1CC=C(C)C)C1=COC2=CC(O)=CC=C2C1=O	InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3
HMDB29514	Licochalcone A	COC1=C(\C=C/C(=O)C2=CC=C(O)C=C2)C=C(C(O)=C1)C(C)(C)C=C	InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8-
HMDB51292	TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,37-38,41,43,46,60H,4-8,10-11,13-15,17,20,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB37299	6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid	CC(C)=CCC1=C(O)C=C2OC3=C(C(=O)C2=C1O)C(CC=C(C)C)=C(C=C3)C(O)=O	InChI=1S/C24H24O6/c1-12(2)5-7-14-15(24(28)29)9-10-18-20(14)23(27)21-19(30-18)11-17(25)16(22(21)26)8-6-13(3)4/h5-6,9-11,25-26H,7-8H2,1-4H3,(H,28,29)
HMDB37298	1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone	CC(C)=CCC1=CC=C2OC3=C(C(O)=C(CC=C(C)C)C(O)=C3C)C(=O)C2=C1O	InChI=1S/C24H26O5/c1-12(2)6-8-15-9-11-17-18(21(15)26)23(28)19-22(27)16(10-7-13(3)4)20(25)14(5)24(19)29-17/h6-7,9,11,25-27H,8,10H2,1-5H3
HMDB37297	Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one	OCC1OC2C(OC(=O)N2C2=CC=CC=C2O)C(O)C1O	InChI=1S/C13H15NO7/c15-5-8-9(17)10(18)11-12(20-8)14(13(19)21-11)6-3-1-2-4-7(6)16/h1-4,8-12,15-18H,5H2
HMDB37296	3-Acetyl-2,7-naphthyridine	CC(=O)C1=CC2=CC=NC=C2C=N1	InChI=1S/C10H8N2O/c1-7(13)10-4-8-2-3-11-5-9(8)6-12-10/h2-6H,1H3
HMDB37295	3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol	CC(O)C(C)SC(C)C(C)S	InChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3
HMDB37294	2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-one	CC\C=C/CC1=C(C)C(=O)CC1	InChI=1S/C11H16O/c1-3-4-5-6-10-7-8-11(12)9(10)2/h4-5H,3,6-8H2,1-2H3/b5-4-
HMDB37293	2-Acetylpyrrolidine	CC(=O)C1CCCN1	InChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3
HMDB37292	2-Butyl-3-phenyl-2-propen-1-al	CCCC\C(C=O)=C\C1=CC=CC=C1	InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10-
HMDB37291	2-(2-Methylpropyl)pyridine	CC(C)CC1=CC=CC=N1	InChI=1S/C9H13N/c1-8(2)7-9-5-3-4-6-10-9/h3-6,8H,7H2,1-2H3
HMDB37290	3-Methyl-1,2,4-trithiane	CC1SCCSS1	InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3
HMDB57230	CL(18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB44372	TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,37,43,46,58H,4-16,18-19,21-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,27-25-,28-26-,37-34-,46-43-
HMDB00963	5-Methylthioribose 1-phosphate	CSCC1OC(OP(O)(O)=O)[C@H](O)[C@@H]1O	InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3?,4-,5-,6?/m1/s1
HMDB00962	Lipoamide	NC(=O)CCCCC1CCSS1	InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)
HMDB00961	Farnesyl pyrophosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
HMDB00960	dGDP	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1	InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
HMDB00965	Hypotaurine	NCCS(O)=O	InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
HMDB11460	PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB11461	PE(P-18:1(9Z)/24:0)	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h18,20,39,42,46H,3-17,19,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b20-18-,42-39-/t46-/m1/s1
HMDB00969	1,25-Dihydroxyvitamin D3-26,23-lactone	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)C[C@H]1C[C@@](C)(O)C(=O)O1	InChI=1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21+,22-,23+,24+,26-,27-/m1/s1
HMDB00968	1D-Myo-inositol 1,4-bisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O	InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1
HMDB52748	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,37,40,46,49,59H,4-8,10-11,13-15,17,22,24,26,30,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,49-46-
HMDB52749	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-22,26-31,55H,4-7,10,13-16,23-25,32-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-
HMDB42499	TG(14:0/24:1(15Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,34,36,58H,4-16,18-19,21-23,28-33,35,37-57H2,1-3H3/b20-17-,26-24-,27-25-,36-34-
HMDB44373	TG(16:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,39,45,48,60H,4-16,18-19,21-24,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,27-25-,28-26-,39-36-,48-45-
HMDB52740	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-34,38,41,47,50,60H,4-15,17-18,21-22,24,26-27,30-31,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,23-20-,28-25-,33-32-,34-29-,41-38-,50-47-
HMDB52741	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27-32,56H,4-8,10-11,13-17,24-26,33-55H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-,31-28-,32-29-
HMDB52742	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-22,26-31,35,38,55H,4-8,10-11,13-16,23-25,32-34,36-37,39-54H2,1-3H3/b12-9-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-
HMDB52743	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,20-23,25,27,29-30,32,56H,4-8,10-11,14-15,17,19,24,26,28,31,33-55H2,1-3H3/b12-9-,16-13-,21-18-,23-20-,25-22-,30-27-,32-29-
HMDB52744	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,35,57H,4-8,10-11,13-15,17,22,24,26,30,34,36-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-
HMDB52745	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,35,41,44,57H,4-8,10-11,13-15,17,22,24,26,30,34,36-40,42-43,45-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,44-41-
HMDB52746	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,33-34,59H,4-8,10-11,13-15,17,22,24,26,30-32,35-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,33-27-,34-29-
HMDB52747	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,37,40,59H,4-8,10-11,13-15,17,22,24,26,30,35-36,38-39,41-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-
HMDB14456	Ethoxzolamide	CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O	InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
HMDB14457	Pentobarbital	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O	InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
HMDB14454	Vindesine	[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC	InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1
HMDB14455	Chlorthalidone	NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12	InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
HMDB14452	Bexarotene	CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C	InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
HMDB14453	Ibutilide	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1	InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3
HMDB14450	Mitomycin	CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O	InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1
HMDB14451	Talbutal	CCC(C)C1(CC=C)C(=O)N(C)C(=O)N(C)C1=O	InChI=1S/C13H20N2O3/c1-6-8-13(9(3)7-2)10(16)14(4)12(18)15(5)11(13)17/h6,9H,1,7-8H2,2-5H3
HMDB14459	Capreomycin	[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O	InChI=1S/C25H44N14O8.C25H44N14O7/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b15-9+;16-10+/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-/m00/s1
HMDB11798	Ganglioside GD1a (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C87H153N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-62(105)90-52(53(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)47-118-81-70(111)69(110)74(60(45-95)121-81)124-83-72(113)79(129-87(85(116)117)40-55(102)64(89-50(5)99)77(127-87)66(107)57(104)42-92)75(61(46-96)122-83)125-80-51(38-48(3)97)73(67(108)58(43-93)119-80)123-82-71(112)78(68(109)59(44-94)120-82)128-86(84(114)115)39-54(101)63(88-49(4)98)76(126-86)65(106)56(103)41-91/h34,36,51-61,63-83,91-96,100-104,106-113H,6-33,35,37-47H2,1-5H3,(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/b36-34+/t51-,52+,53-,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68+,69-,70-,71-,72-,73-,74-,75+,76?,77?,78+,79-,80+,81-,82+,83+,86+,87+/m1/s1
HMDB11799	Ganglioside GD1a (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C89H157N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(107)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-72(113)71(112)76(62(47-97)123-83)126-85-74(115)81(131-89(87(118)119)42-57(104)66(91-52(5)101)79(129-89)68(109)59(106)44-94)77(63(48-98)124-85)127-82-53(40-50(3)99)75(69(110)60(45-95)121-82)125-84-73(114)80(70(111)61(46-96)122-84)130-88(86(116)117)41-56(103)65(90-51(4)100)78(128-88)67(108)58(105)43-93/h36,38,53-63,65-85,93-98,102-106,108-115H,6-35,37,39-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,107)(H,116,117)(H,118,119)/b38-36+/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80+,81-,82+,83-,84+,85+,88+,89+/m1/s1
HMDB11796	Ganglioside GD1a (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H147N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h16,18,32,34,49-59,61-81,89-94,98-102,104-111H,6-15,17,19-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/b18-16-,34-32+/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1
HMDB11797	Ganglioside GD1a (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H147N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h20-21,32,34,49-59,61-81,89-94,98-102,104-111H,6-19,22-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/b21-20-,34-32+/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1
HMDB11794	Ganglioside GD1a (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C83H145N3O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-49(96)48(86-58(101)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-114-77-66(107)65(106)70(56(41-91)117-77)120-79-68(109)75(125-83(81(112)113)36-51(98)60(85-46(5)95)73(123-83)62(103)53(100)38-88)71(57(42-92)118-79)121-76-47(34-44(3)93)69(63(104)54(39-89)115-76)119-78-67(108)74(64(105)55(40-90)116-78)124-82(80(110)111)35-50(97)59(84-45(4)94)72(122-82)61(102)52(99)37-87/h30,32,47-57,59-79,87-92,96-100,102-109H,6-29,31,33-43H2,1-5H3,(H,84,94)(H,85,95)(H,86,101)(H,110,111)(H,112,113)/b32-30+/t47-,48+,49-,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64+,65-,66-,67-,68-,69-,70-,71+,72?,73?,74+,75-,76+,77-,78+,79+,82+,83+/m1/s1
HMDB11795	Ganglioside GD1a (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h32,34,49-59,61-81,89-94,98-102,104-111H,6-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/b34-32+/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1
HMDB11792	Ganglioside GD1a (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C79H137N3O39/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-45(92)44(82-54(97)29-27-25-23-20-15-13-11-9-7-2)39-110-73-62(103)61(102)66(52(37-87)113-73)116-75-64(105)71(121-79(77(108)109)32-47(94)56(81-42(5)91)69(119-79)58(99)49(96)34-84)67(53(38-88)114-75)117-72-43(30-40(3)89)65(59(100)50(35-85)111-72)115-74-63(104)70(60(101)51(36-86)112-74)120-78(76(106)107)31-46(93)55(80-41(4)90)68(118-78)57(98)48(95)33-83/h26,28,43-53,55-75,83-88,92-96,98-105H,6-25,27,29-39H2,1-5H3,(H,80,90)(H,81,91)(H,82,97)(H,106,107)(H,108,109)/b28-26+/t43-,44+,45-,46+,47+,48-,49-,50-,51-,52-,53-,55-,56-,57-,58-,59+,60+,61-,62-,63-,64-,65-,66-,67+,68?,69?,70+,71-,72+,73-,74+,75+,78+,79+/m1/s1
HMDB11793	Ganglioside GD1a (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C81H141N3O39/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-47(94)46(84-56(99)31-29-27-25-23-20-17-15-13-11-9-7-2)41-112-75-64(105)63(104)68(54(39-89)115-75)118-77-66(107)73(123-81(79(110)111)34-49(96)58(83-44(5)93)71(121-81)60(101)51(98)36-86)69(55(40-90)116-77)119-74-45(32-42(3)91)67(61(102)52(37-87)113-74)117-76-65(106)72(62(103)53(38-88)114-76)122-80(78(108)109)33-48(95)57(82-43(4)92)70(120-80)59(100)50(97)35-85/h28,30,45-55,57-77,85-90,94-98,100-107H,6-27,29,31-41H2,1-5H3,(H,82,92)(H,83,93)(H,84,99)(H,108,109)(H,110,111)/b30-28+/t45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,55-,57-,58-,59-,60-,61+,62+,63-,64-,65-,66-,67-,68-,69+,70?,71?,72+,73-,74+,75-,76+,77+,80+,81+/m1/s1
HMDB11790	Ganglioside GD1a (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C93H167N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(111)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-76(117)75(116)80(66(51-101)127-87)130-89-78(119)85(135-93(91(122)123)46-61(108)70(95-56(5)105)83(133-93)72(113)63(110)48-98)81(67(52-102)128-89)131-86-57(44-54(3)103)79(73(114)64(49-99)125-86)129-88-77(118)84(74(115)65(50-100)126-88)134-92(90(120)121)45-60(107)69(94-55(4)104)82(132-92)71(112)62(109)47-97/h57-67,69-89,97-102,106-110,112-119H,6-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,111)(H,120,121)(H,122,123)/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84+,85-,86+,87-,88+,89+,92+,93+/m1/s1
HMDB11791	Ganglioside GD1a (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C93H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(111)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-76(117)75(116)80(66(51-101)127-87)130-89-78(119)85(135-93(91(122)123)46-61(108)70(95-56(5)105)83(133-93)72(113)63(110)48-98)81(67(52-102)128-89)131-86-57(44-54(3)103)79(73(114)64(49-99)125-86)129-88-77(118)84(74(115)65(50-100)126-88)134-92(90(120)121)45-60(107)69(94-55(4)104)82(132-92)71(112)62(109)47-97/h20-21,57-67,69-89,97-102,106-110,112-119H,6-19,22-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,111)(H,120,121)(H,122,123)/b21-20-/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84+,85-,86+,87-,88+,89+,92+,93+/m1/s1
HMDB44376	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,34,40,43,55H,4-13,15,18,20-22,24,28-30,32-33,35-39,41-42,44-54H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,34-31-,43-40-
HMDB50943	TG(20:3(5Z,8Z,11Z)/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,38,41,47,50,64H,4-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,41-38-,50-47-
HMDB58760	CL(18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-42-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,45,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-45-,59-55-/t76?,77-,78-/m1/s1
HMDB44377	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,41,44,56H,4-15,18,21-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB44374	TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,34,40,43,55H,4-15,17-18,21-22,24,26,29,32-33,35-39,41-42,44-54H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,34-31-,43-40-
HMDB13109	Tridecanoyl-CoA	CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C34H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,27-,28-,29?,33-/m1/s1
HMDB13105	trans-4,5-epoxy-2(E)-decenal	CCCCCC1OC1\C=C\C=O	InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+
HMDB58762	CL(18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,50-51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-49,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB44375	TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,35,38-39,42,54H,4-15,18,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB07759	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,9-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1
HMDB07758	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,45,48H,3-4,9-10,15-16,21-22,27-28,33-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1
HMDB07755	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,45,48H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1
HMDB07754	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1
HMDB07757	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1
HMDB07756	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1
HMDB07751	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,43,46H,3-4,9-10,15-16,21,23,25,30-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t43-/m0/s1
HMDB07750	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32,34,43,46H,3-4,6,8-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1
HMDB07753	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-/t45-/m0/s1
HMDB07752	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32,34,43,46H,3-4,9-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1
HMDB12472	(3E,5Z,8Z)-Tetradecatrienoyl-CoA	CCCCC\C=C/C\C=C/C=C/CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-14,22-24,28-30,34,45-46H,4-7,10,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,12-11-,14-13+/t24-,28+,29+,30?,34-/m1/s1
HMDB12473	(3S)-3-Hydroxy-cis,cis-palmito-7,10-dienoyl-CoA	CCCCC\C=C/C\C=C/CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h8-9,11-12,23-26,30-32,36,45,48-49H,4-7,10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b9-8-,12-11-/t25-,26+,30-,31-,32?,36+/m0/s1
HMDB12470	(2S,6R,10R)-Trimethyl-2E-hendecenoyl-CoA	CC(C)CCC[C@H](C)CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H60N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h12,19-22,24,27-29,33,44-45H,7-11,13-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b23-12+/t22-,24+,27-,28-,29?,33+/m0/s1
HMDB12471	(2S,6R,10R)-Trimethyl-hendecanoyl-CoA	CC(C)CCC[C@H](C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H62N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h19-24,27-29,33,44-45H,7-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t22-,23-,24+,27-,28-,29?,33+/m0/s1
HMDB12476	(3S)-3-Hydroxydodec-cis-6-enoyl-CoA	CCCCC\C=C/CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h8-9,19-22,26-28,32,41,44-45H,4-7,10-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b9-8-/t21-,22+,26-,27-,28?,32+/m0/s1
HMDB12477	(3S)-3-Hydroxylinoleoyl-CoA	CCCCC\C=C/C\C=C/CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,25-28,32-34,38,47,50-51H,4-7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-8-,12-11-/t27-,28+,32-,33-,34?,38+/m0/s1
HMDB12474	(3S)-3-Hydroxy-cis-8-tetradecenoyl-CoA	CCCCC\C=C\CCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h8-9,21-24,28-30,34,43,46-47H,4-7,10-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b9-8+/t23-,24+,28-,29-,30?,34+/m0/s1
HMDB12475	(3S)-3-Hydroxyadipyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCC(O)=O	InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,15+,20+,21+,22?,26+/m1/s1
HMDB54379	TG(22:2(13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,39,42,48,51,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB12479	(3S)-Hydroxy-tetracosa-6,9,12,15,18,21-all-cis-hexaenoyl-CoA	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34-,38+,39+,40?,44-/m0/s1
HMDB58805	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB58804	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB58807	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB58806	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB58801	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58800	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-35,40,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58803	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB58802	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB58809	CL(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB58808	CL(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB15402	Carbetocin	[H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC	InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
HMDB59483	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65,68-69,72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB59480	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,72,76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-71,73-75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,76-72-/t91?,92-,93-/m1/s1
HMDB44379	TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,34,37,43,46,58H,4-15,18,21-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,37-34-,46-43-
HMDB59481	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,71-72,75-76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-70,73-74,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB59486	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,43-49,53-54,56-58,60,65,68-69,72,87-89,94H,5-8,11-12,15-20,24,28-32,40-42,50-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB59487	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66,69-70,73,88-90,95H,5-8,11-12,15-20,24,29-31,36,41-43,51-53,56,60,62-65,67-68,71-72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,73-69-/t88?,89-,90-/m1/s1
HMDB59484	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,42-47,52-56,58,63,66-67,70,85-87,92H,5-8,11-12,15-20,24,29-31,39-41,48-51,57,59-62,64-65,68-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,70-66-/t85?,86-,87-/m1/s1
HMDB59485	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65,68-69,72,87-89,94H,5-8,11-12,15-20,24,29-31,36,40-42,49-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB05443	TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,40,43,56H,4-15,17-18,20,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,43-40-/t56-/m1/s1
HMDB05442	TG(16:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,56H,4-20,22-23,29-55H2,1-3H3/b24-21-,27-25-,28-26-/t56-/m1/s1
HMDB05441	TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,32,38,41,54H,4-15,17-18,20,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m1/s1
HMDB05440	TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,52H,4-15,17-18,20,22-23,29-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t52-/m1/s1
HMDB05447	TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,32,38,41,54H,4-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m1/s1
HMDB05446	TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,52H,4-15,18,22-23,29-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-/t52-/m1/s1
HMDB05445	TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,54H,4-16,18-19,22-23,28,30-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-/t54-/m1/s1
HMDB05444	TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,54H,4-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b20-17-,24-21-,29-26-/t54-/m1/s1
HMDB05449	TG(18:1(9Z)/20:0/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h27,32,58H,4-26,28-31,33-57H2,1-3H3/b32-27-/t58-/m1/s1
HMDB05448	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,40-41,43-44,56H,4-15,18,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m1/s1
HMDB49322	TG(18:1(11Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-,50-47-
HMDB49323	TG(18:1(11Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,57H,4-20,22-23,26-27,29-56H2,1-3H3/b24-21-,28-25-
HMDB49320	TG(18:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,36,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-,45-42-
HMDB49321	TG(18:1(11Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-
HMDB49326	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,34,37,43,46,58H,4-20,22-23,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b24-21-,28-25-,29-26-,37-34-,46-43-
HMDB49327	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-20,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB49324	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,32,35,41,44,56H,4-19,22,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,24-21-,28-25-,35-32-,44-41-
HMDB49325	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,31-32,35,41,44,56H,4-19,21-22,24,26,29-30,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,28-25-,31-27-,35-32-,44-41-
HMDB06938	Tartronate semialdehyde	OC(C=O)C(O)=O	InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)
HMDB49329	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,38,41,47,50,62H,4-20,22-23,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b24-21-,28-25-,29-26-,41-38-,50-47-
HMDB00192	L-Cystine	N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
HMDB00193	Isocitric acid	OC(C(CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
HMDB00190	L-Lactic acid	C[C@H](O)C(O)=O	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
HMDB00191	L-Aspartic acid	N[C@@H](CC(O)=O)C(O)=O	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
HMDB00197	Indoleacetic acid	OC(=O)CC1=CNC2=C1C=CC=C2	InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
HMDB00194	Anserine	CN1C=NC=C1C[C@H](NC(=O)CCN)C(O)=O	InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
HMDB00195	Inosine	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CNC2=O	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
HMDB57053	CL(18:0/16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB57052	CL(18:0/16:1(9Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB57051	CL(18:0/16:1(9Z)/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32,35,38,73-75,80H,5-27,29-31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-,38-35-/t73?,74-,75-/m1/s1
HMDB57050	CL(18:0/16:1(9Z)/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27-28,31-32,73-75,80H,5-26,29-30,33-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-/t73?,74-,75-/m1/s1
HMDB57057	CL(18:0/16:1(9Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,28,30,32,69-71,76H,5-25,27,29,31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,32-28-/t69?,70-,71-/m1/s1
HMDB57056	CL(18:0/16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57055	CL(18:0/16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB57054	CL(18:0/16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57059	CL(18:0/16:1(9Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-28,30-32,69-71,76H,5-25,29,33-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,32-28-/t69?,70-,71-/m1/s1
HMDB57058	CL(18:0/16:1(9Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-32,71-73,78H,5-26,29-30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB01570	Thymidine 3',5'-cyclic monophosphate	CC1=CN([C@H]2CC3OP(O)(=O)OCC3O2)C(=O)NC1=O	InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6?,7?,8-/m1/s1
HMDB47409	TG(24:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,39,44-45,47-48,62H,4-7,9-10,12-16,19,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB47408	TG(24:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,39,44,47,62H,4-7,9-10,12-16,19,22-25,28,30-35,38,40-43,45-46,48-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-
HMDB04158	D-Urobilinogen	CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(C=C)=C3C)N2)N1	InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,26-27,34-35H,2,7,9-15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
HMDB04159	L-Urobilin	CCC1C(CC2=N\C(=C\C3=C(CCC(O)=O)C(C)=C(CC4NC(=O)C(CC)C4C)N3)C(CCC(O)=O)=C2C)NC(=O)C1C	InChI=1S/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,34H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b29-15+
HMDB01308	5'-Phosphoribosyl-N-formylglycinamide	O[C@H]1[C@@H](O)[C@H](NC(=O)CNC=O)O[C@@H]1COP(O)(O)=O	InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
HMDB01309	m-Chlorohippuric acid	OC(=O)CNC(=O)C1=CC(Cl)=CC=C1	InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
HMDB47403	TG(24:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,38,46,49,64H,4-16,19,22-25,28,30-37,39-45,47-48,50-63H2,1-3H3/b20-17-,21-18-,29-26-,38-27-,49-46-
HMDB02139	Ubisemiquinone	COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O	InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30-,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
HMDB02137	trans-3-Decenoyl-CoA	CCCCCC\C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h9-10,18-20,24-26,30,41-42H,4-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b10-9+/t20-,24-,25-,26+,30-/m1/s1
HMDB02134	Aminoacetone	CC(=O)CN	InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
HMDB02135	S-(3-oxo-3-carboxy-n-propyl)cysteine	NC(CSCCC(=O)C(O)=O)C(O)=O	InChI=1S/C7H11NO5S/c8-4(6(10)11)3-14-2-1-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)
HMDB02132	8-iso-PGF3a	CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1
HMDB02130	Monomethyl phthalate	COC(=O)C1=CC=CC=C1C(O)=O	InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
HMDB42334	TG(14:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB04157	L-Urobilinogen	CCC1C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)C3C)N2)N1	InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
HMDB01302	Molybdenum	[Mo++]	InChI=1S/Mo/q+2
HMDB01303	Zinc	[Zn++]	InChI=1S/Zn/q+2
HMDB57945	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,39-40,44,52,56,75-77,82H,5-20,22-24,27,29,31,34,37-38,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,32-28-,36-33-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB57944	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-36,38-39,74-76,81H,5-24,27,31,33-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,32-28-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB57947	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB57946	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-20,22-24,27,29,31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57941	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,36,71-73,78H,5-24,26,30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB57940	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34,37,73-75,80H,5-24,26-27,30-31,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB57943	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-35,37-38,73-75,80H,5-24,26-27,30-31,33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB57942	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,37,73-75,80H,5-24,26,30,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,31-27-,32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB57949	CL(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25-32,35,37,72-74,79H,5-24,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB57948	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56098	DG(22:0/0:0/18:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,27,29,41,44H,3-11,13,15-17,19-22,24-26,28,30-40H2,1-2H3/b14-12-,23-18-,29-27-
HMDB56099	DG(22:0/0:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C44H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,42,45H,3-9,11,13-15,17,19-41H2,1-2H3/b12-10-,18-16-
HMDB56090	DG(22:0/0:0/16:1n7)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h23,25,39,42H,3-22,24,26-38H2,1-2H3/b25-23+
HMDB56091	DG(22:0/0:0/18:1n7)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,41,44H,3-13,15,17-40H2,1-2H3/b16-14-
HMDB56092	DG(22:0/0:0/18:1n9)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,41,44H,3-17,19-22,24-40H2,1-2H3/b23-18-
HMDB56093	DG(22:0/0:0/20:1n9)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,43,46H,3-17,19,21-42H2,1-2H3/b20-18-
HMDB56094	DG(22:0/0:0/20:3n9)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,25,27,31,33,43,46H,3-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b20-18-,27-25-,33-31-
HMDB56095	DG(22:0/0:0/22:1n9)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-
HMDB56096	DG(22:0/0:0/24:1n9)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,47,50H,3-16,18,20-46H2,1-2H3/b19-17-
HMDB56097	DG(22:0/0:0/18:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C44H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h14,16,20,24,42,45H,3-13,15,17-19,21-23,25-41H2,1-2H3/b16-14-,24-20-
HMDB57576	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26-28,30-33,36,73-75,80H,5-25,29,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,32-28-,36-33-/t73?,74-,75-/m1/s1
HMDB57577	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32-33,35-36,38,73-75,80H,5-25,27,29,31,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-,36-33-,38-35-/t73?,74-,75-/m1/s1
HMDB57578	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25,27-29,31-32,34,36-37,39,74-76,81H,5-24,26,30,33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,32-28-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB57579	CL(16:1(9Z)/18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25,27-28,31-34,36,38,40,44,52,56,75-77,82H,5-20,22-24,26,29-30,35,37,39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,36-33-,38-34-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB30238	ax-4''-Hydroxy-3-'-methoxymaysin	COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C(C3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1	InChI=1S/C28H32O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20-21,23-29,31-37H,1-3H3
HMDB30239	6''-O-Caffeoylastragalin	OC1C(COC(=O)\C=C\C2=CC=C(O)C(O)=C2)OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+
HMDB11469	2-Butanol	CCC(C)O	InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
HMDB30230	3-O-a-L-Arabinofuranosyl-D-xylose, 9CI; b-Pyranose-form, 2'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-)	COC1=CC(\C=C\C(=O)OC2C(OC3C(O)COC(O)C3O)OC(CO)C2O)=CC=C1O	InChI=1S/C20H26O12/c1-28-12-6-9(2-4-10(12)22)3-5-14(24)31-18-15(25)13(7-21)30-20(18)32-17-11(23)8-29-19(27)16(17)26/h2-6,11,13,15-23,25-27H,7-8H2,1H3/b5-3+
HMDB30231	3-O-a-L-Arabinofuranosyl-D-xylose, 9CI; b-Pyranose-form, 2'-Me ether, 5'-O-(4-hydroxy-3-methoxycinnamoyl)(E)	COC1C(OC2C(O)COC(O)C2O)OC(COC(=O)\C=C\C2=CC=C(O)C(OC)=C2)C1O	InChI=1S/C21H28O12/c1-28-13-7-10(3-5-11(13)22)4-6-15(24)30-9-14-16(25)19(29-2)21(32-14)33-18-12(23)8-31-20(27)17(18)26/h3-7,12,14,16-23,25-27H,8-9H2,1-2H3/b6-4+
HMDB30232	(2R,6S,7S,10Z)-beta-Santala-3(15),10-dien-12-ol	C\C(CO)=C\CCC1(C)C2CCC(C2)C1=C	InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-
HMDB30233	Spirostan-3-ol; (3b,5a,25S)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-[a-L-arabinopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C44H72O17/c1-19-7-12-44(56-16-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)57-40-37(53)34(50)38(60-41-36(52)33(49)32(48)28(15-45)58-41)29(59-40)18-55-39-35(51)31(47)26(46)17-54-39/h19-41,45-53H,5-18H2,1-4H3
HMDB30234	Xanthohumol C	COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C2C=CC(C)(C)OC2=C1	InChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+
HMDB30235	eq-4''-Hydroxymaysin	CC1OC(OC2C(O)C(O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3
HMDB30236	Syzyginin A	OC(=O)C1=C(OC2=C(O)C3=C(C=C2O)C(=O)OCC2OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C2OC(=O)C2=CC(O)=C(O)C(O)=C32)C(O)=C(O)C(O)=C1	InChI=1S/C48H34O31/c49-17-1-11(2-18(50)29(17)58)43(68)77-40-39-26(74-48(79-45(70)13-5-21(53)31(60)22(54)6-13)41(40)78-44(69)12-3-19(51)30(59)20(52)4-12)10-73-46(71)14-8-25(57)38(75-37-16(42(66)67)9-24(56)33(62)36(37)65)35(64)28(14)27-15(47(72)76-39)7-23(55)32(61)34(27)63/h1-9,26,39-41,48-65H,10H2,(H,66,67)
HMDB30237	Syzyginin B	OC1OC2COC(=O)C3=C(C4=C(OC5=C(O4)C=C(O)C(O)=C5O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C33H24O21/c34-10-1-7(2-11(35)19(10)39)30(45)54-29-24(44)33(48)51-16-6-49-31(46)9-4-14(38)25-28(50-15-5-13(37)21(41)23(43)26(15)52-25)18(9)17-8(32(47)53-27(16)29)3-12(36)20(40)22(17)42/h1-5,16,24,27,29,33-44,48H,6H2
HMDB40228	1,1-Diethoxy-3,7-dimethyl-2,6-octadiene	CCOC(OCC)\C=C(\C)CCC=C(C)C	InChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11-
HMDB40229	1H-Pyrrolo[2,1-c][1,4]thiazine	C1SC=CN2C=CC=C12	InChI=1S/C7H7NS/c1-2-7-6-9-5-4-8(7)3-1/h1-5H,6H2
HMDB40224	4-Acetyl-3-methylpyridine	CC(=O)C1=C(C)C=NC=C1	InChI=1S/C8H9NO/c1-6-5-9-4-3-8(6)7(2)10/h3-5H,1-2H3
HMDB40225	Isoamyl salicylate	CC(C)CCOC(=O)C1=C(O)C=CC=C1	InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
HMDB40226	2-Methyl-1-phenyl-2-propanol; Butanoyl	CCCC(=O)OC(C)(C)CC1=CC=CC=C1	InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
HMDB40227	Isopulegol acetate	C[C@@H]1CC[C@H]([C@@H](C1)OC(C)=O)C(C)=C	InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m1/s1
HMDB40220	Diethyl malate	CCOC(=O)CC(O)C(=O)OCC	InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3
HMDB40221	Isoamyl butyrate	CCCC(=O)OCCC(C)C	InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
HMDB40222	2-Acetyl-5-methylpyridine	CC(=O)C1=NC=C(C)C=C1	InChI=1S/C8H9NO/c1-6-3-4-8(7(2)10)9-5-6/h3-5H,1-2H3
HMDB40223	4-Acetyl-2-methylpyridine	CC(=O)C1=CC(C)=NC=C1	InChI=1S/C8H9NO/c1-6-5-8(7(2)10)3-4-9-6/h3-5H,1-2H3
HMDB03263	Pelargonidin	[Cl-].OC1=CC=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O	InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H
HMDB03265	Hesperidin	COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(OC1O[C@H](CO[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C=C2O	InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21+,22-,23+,24-,25+,26+,27-,28?/m0/s1
HMDB03269	Nicotinuric acid	OC(=O)CNC(=O)C1=CN=CC=C1	InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)
HMDB54467	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-15,18,21-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB11462	PE(P-18:1(9Z)/24:1(15Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17-20,39,42,46H,3-16,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,20-18-,42-39-/t46-/m1/s1
HMDB43823	TG(15:0/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,52H,4-7,9-10,12-16,18-19,21-25,27,29-51H2,1-3H3/b11-8-,20-17-,28-26-
HMDB08052	PC(18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,46H,6-19,21,23-45H2,1-5H3/b22-20-/t46-/m1/s1
HMDB43821	TG(15:0/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-
HMDB51479	TG(22:1(13Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,40,43,60H,4-17,19-20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b21-18-,28-25-,34-27-,43-40-
HMDB43820	TG(15:0/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-
HMDB51473	TG(22:1(13Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-
HMDB43827	TG(15:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-
HMDB51471	TG(22:1(13Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,60H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-
HMDB51470	TG(22:1(13Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,32,38,41,58H,4-7,9-10,12-16,18-19,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,41-38-
HMDB51477	TG(22:1(13Z)/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-
HMDB51476	TG(22:1(13Z)/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-
HMDB51475	TG(22:1(13Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-
HMDB43826	TG(15:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H100O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-
HMDB55549	TG(20:4(8Z,11Z,14Z,17Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,39,45,48,58H,4-6,9,12-15,18,21-24,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-
HMDB55548	TG(20:4(8Z,11Z,14Z,17Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,39,58H,4-6,9,12-15,18,21-24,29,31,34-35,38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-
HMDB43825	TG(15:0/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-
HMDB55543	TG(20:4(8Z,11Z,14Z,17Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-
HMDB55542	TG(20:4(8Z,11Z,14Z,17Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38,41,55H,4-6,9,12-15,18,21-24,29-30,35-37,39-40,42-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-
HMDB55541	TG(20:4(8Z,11Z,14Z,17Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,55H,4-6,9,12-15,18,21-24,29-30,35-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-
HMDB43824	TG(15:0/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H98O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,52H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-51H2,1-3H3/b11-8-,20-17-,28-26-,36-33-
HMDB55547	TG(20:4(8Z,11Z,14Z,17Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,39,42,56H,4-6,9,12-15,18,21-24,29-30,33,36-38,40-41,43-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,42-39-
HMDB55546	TG(20:4(8Z,11Z,14Z,17Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,56H,4-6,9,12-15,18,21-24,29-30,33,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-
HMDB55545	TG(20:4(8Z,11Z,14Z,17Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-
HMDB55544	TG(20:4(8Z,11Z,14Z,17Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,44,47,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40-43,45-46,48-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,47-44-
HMDB56835	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-37,40-43,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35,38-39,44-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB41476	4-(Methylthio)-2-butanol	CSCCC(C)O	InChI=1S/C5H12OS/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3
HMDB43324	TG(15:0/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,31,33,39,42,54H,4-13,15-16,18-22,24,28-30,32,34-38,40-41,43-53H2,1-3H3/b17-14-,26-23-,27-25-,33-31-,42-39-
HMDB43828	TG(15:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-,46-43-
HMDB43325	TG(15:0/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,40,43,55H,4-15,17-18,20-24,29-30,35-39,41-42,44-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,43-40-
HMDB43326	TG(15:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,39-40,42-43,55H,4-15,17-18,20-24,29-30,35-38,41,44-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB43327	TG(15:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,34,36,42,45,57H,4-15,17-18,20-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b19-16-,27-25-,28-26-,36-34-,45-42-
HMDB43320	TG(15:0/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,34,36,42,45,57H,4-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b27-25-,28-26-,36-34-,45-42-
HMDB43321	TG(15:0/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,36,38,44,47,59H,4-24,29-35,37,39-43,45-46,48-58H2,1-3H3/b27-25-,28-26-,38-36-,47-44-
HMDB32128	1-(2,4-Dihydroxyphenyl)-1-butanone	CCCC(=O)C1=CC=C(O)C=C1O	InChI=1S/C10H12O3/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,11,13H,2-3H2,1H3
HMDB43322	TG(15:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30-31,33,39,42,54H,4-19,21-22,24,26,29,32,34-38,40-41,43-53H2,1-3H3/b23-20-,27-25-,30-28-,33-31-,42-39-
HMDB41579	4,7-Megastigmadiene-3,6,9-triol; (3b,6a,7E,9x)-form, 7,8-Dihydro, 9-O-[b-D-apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(CCC1(O)C(C)=CC(O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C24H42O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13-21,25-32H,5-6,8-11H2,1-4H3
HMDB41578	4,7-Megastigmadiene-3,6,9-triol; (3b,6a,7E,9x)-form, 7,8-Dihydro, 9-O-b-D-glucopyranoside	CC(CCC1(O)C(C)=CC(O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3
HMDB41577	4,7-Megastigmadiene-3,6,9-triol; (3b,6a,7E,9x)-form, 9-O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(O)CC1(C)C	InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3/b6-5+
HMDB41576	beta-Cadinene	CC(C)C1CC=C(C)C2CC=C(C)CC12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3
HMDB41575	Isokessane	CC1CCC2C1CC1CCC2(C)OC1(C)C	InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3
HMDB41574	Artemisiatriene	CC(=C)\C=C\C(C)(C)C=C	InChI=1S/C10H16/c1-6-10(4,5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7+
HMDB41573	2,5-Dimethyl-3-vinyl-5-hexene-2,4-diol; 4-Ketone, 2-Ac	CC(=O)OC(C)(C)C(C=C)C(=O)C(C)=C	InChI=1S/C12H18O3/c1-7-10(11(14)8(2)3)12(5,6)15-9(4)13/h7,10H,1-2H2,3-6H3
HMDB41572	2,5-Dimethyl-3-vinyl-5-hexene-2,4-diol; 2-Ac	CC(=O)OC(C)(C)C(C=C)C(O)C(C)=C	InChI=1S/C12H20O3/c1-7-10(11(14)8(2)3)12(5,6)15-9(4)13/h7,10-11,14H,1-2H2,3-6H3
HMDB41571	Propylpyrazine	CCCC1=CN=CC=N1	InChI=1S/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3
HMDB41570	Isopropylpyrazine	CC(C)C1=CN=CC=N1	InChI=1S/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3
HMDB49748	TG(18:1(9Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h13,16,22,25-26,28,53H,4-12,14-15,17-21,23-24,27,29-52H2,1-3H3/b16-13-,25-22-,28-26-
HMDB49749	TG(18:1(9Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,33,54H,4-15,17-18,20-24,28,31-32,34-53H2,1-3H3/b19-16-,27-25-,29-26-,33-30-
HMDB41474	xi-5-Isopropyl-2(5H)-furanone	CC(C)C1OC(=O)C=C1	InChI=1S/C7H10O2/c1-5(2)6-3-4-7(8)9-6/h3-6H,1-2H3
HMDB55412	TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30,32,34,36,39,56H,4-6,9,12-15,18,22-23,27,29,31,33,35,37-38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-
HMDB50708	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,64H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB50709	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,42-43,45-46,64H,4-15,18,21-24,31-32,35,38-41,44,47-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-
HMDB50702	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,39,45,48,66H,4-16,18-19,21-24,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-35-,48-45-
HMDB50703	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-35,40,43,61H,4-15,17-18,20,22-23,27,31,33,36-39,41-42,44-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,43-40-
HMDB50700	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35-36,39,41,44-45,48,62H,4-15,17-18,20-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-
HMDB50701	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,34,37,43,46,64H,4-16,18-19,21-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB50706	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-36,39,41,44,62H,4-15,18,21-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-
HMDB50707	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-36,39,41,44-45,48,62H,4-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-
HMDB50704	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,39-40,42-43,60H,4-15,17,20,22-24,30,32,35-38,41,44-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-
HMDB50705	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,40,43,61H,4-14,17,20-23,30-31,33,35-39,41-42,44-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,43-40-
HMDB54638	TG(22:2(13Z,16Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,40,43,63H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,43-40-
HMDB54639	TG(22:2(13Z,16Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,40,43,49,52,63H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB41472	2-Methylbenzyl alcohol acetate	CC(=O)OCC1=CC=CC=C1C	InChI=1S/C10H12O2/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-6H,7H2,1-2H3
HMDB54632	TG(22:2(13Z,16Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40,43,63H,4-15,18,21-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-
HMDB54633	TG(22:2(13Z,16Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40,43,49,52,63H,4-15,18,21-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB54630	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34,36,41,44,50,53,63H,4-7,9-10,12-15,18,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-34-,44-41-,53-50-
HMDB54631	TG(22:2(13Z,16Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,63H,4-15,18,21-24,27,30-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-
HMDB54636	TG(22:2(13Z,16Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,61H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-
HMDB54637	TG(22:2(13Z,16Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,38,44,47,61H,4-7,9-10,12-15,18,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB54634	TG(22:2(13Z,16Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,33,59H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-
HMDB43953	TG(16:0/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-
HMDB48158	TG(14:1(9Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31,33-35,37,56H,4-6,8-9,11-14,21-23,28,30,32,36,38-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-
HMDB48159	TG(14:1(9Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31,33-35,37,43,46,56H,4-6,8-9,11-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-
HMDB42178	TG(14:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,32,35,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-31,33-34,36-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,35-32-
HMDB42179	TG(14:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,32,35,41,44,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,35-32-,44-41-
HMDB42176	TG(14:0/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-51H2,1-3H3/b10-7-,19-16-,26-24-,30-29-
HMDB42177	TG(14:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,36,39,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,39-36-
HMDB42174	TG(14:0/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,50H,4-6,8-9,11-15,17-18,20-23,25,27-49H2,1-3H3/b10-7-,19-16-,26-24-
HMDB42175	TG(14:0/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,31,34,50H,4-6,8-9,11-15,17-18,20-23,25,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,26-24-,34-31-
HMDB42172	TG(14:0/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,32,35,54H,4-15,17-18,20-23,25,27,30-31,33-34,36-53H2,1-3H3/b19-16-,26-24-,29-28-,35-32-
HMDB42173	TG(14:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,32,35,41,44,54H,4-15,17-18,20-23,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b19-16-,26-24-,29-28-,35-32-,44-41-
HMDB42170	TG(14:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,36,39,52H,4-15,17-18,20-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b19-16-,26-24-,30-29-,39-36-
HMDB42171	TG(14:0/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-
HMDB41473	(3-methylphenyl)methyl acetate	CC(=O)OCC1=CC=CC(C)=C1	InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3
HMDB29063	Threoninyl-Histidine	CC(O)C(NC(=O)C(N)CC1=CN=CN1)C(O)=O	InChI=1S/C10H16N4O4/c1-5(15)8(10(17)18)14-9(16)7(11)2-6-3-12-4-13-6/h3-5,7-8,15H,2,11H2,1H3,(H,12,13)(H,14,16)(H,17,18)
HMDB29062	Threoninyl-Hydroxyproline	CC(O)C(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-8(14)6-2-5(13)3-10-6/h4-7,10,12-13H,2-3H2,1H3,(H,11,14)(H,15,16)
HMDB29061	Threoninyl-Glycine	CC(O)C(NC(=O)CN)C(O)=O	InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)
HMDB29060	Threoninyl-Glutamate	CC(O)C(NC(=O)C(N)CCC([O-])=O)C(O)=O	InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1
HMDB29067	Threoninyl-Methionine	CSCCC(N)C(=O)NC(C(C)O)C(O)=O	InChI=1S/C9H18N2O4S/c1-5(12)7(9(14)15)11-8(13)6(10)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
HMDB29066	Threoninyl-Lysine	CC(O)C(NC(=O)C(N)CCCCN)C(O)=O	InChI=1S/C10H21N3O4/c1-6(14)8(10(16)17)13-9(15)7(12)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)
HMDB29065	Threoninyl-Leucine	CC(C)CC(N)C(=O)NC(C(C)O)C(O)=O	InChI=1S/C10H20N2O4/c1-5(2)4-7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)
HMDB29064	Threoninyl-Isoleucine	CCC(C)C(N)C(=O)NC(C(C)O)C(O)=O	InChI=1S/C10H20N2O4/c1-4-5(2)7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)
HMDB29069	Threoninyl-Proline	CC(O)C(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)
HMDB29068	Threoninyl-Phenylalanine	CC(O)C(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O	InChI=1S/C13H18N2O4/c1-8(16)11(13(18)19)15-12(17)10(14)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)
HMDB35882	2-Acetylpyrrole	CC(=O)C1=CC=CN1	InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
HMDB35883	2'-Hydroxyisoorientin	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC(O)=C(O)C=C1O	InChI=1S/C21H20O12/c22-5-14-17(28)19(30)20(31)21(33-14)16-11(27)4-13-15(18(16)29)10(26)3-12(32-13)6-1-8(24)9(25)2-7(6)23/h1-4,14,17,19-25,27-31H,5H2
HMDB40597	Eduline	COC1=CC2=C(C=C1)N(C)C(=CC2=O)C1=CC=CC=C1	InChI=1S/C17H15NO2/c1-18-15-9-8-13(20-2)10-14(15)17(19)11-16(18)12-6-4-3-5-7-12/h3-11H,1-2H3
HMDB01248	FAD	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2	InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
HMDB59540	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-56,58,63-64,67-68,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,57,59-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB35886	Isoglabrolide	CC12CC3(OC1=O)C1=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CCC3(C)CC2	InChI=1S/C30H44O4/c1-24(2)19-8-11-29(7)22(27(19,5)10-9-21(24)32)18(31)16-20-28(29,6)15-14-26(4)13-12-25(3)17-30(20,26)34-23(25)33/h16,19,21-22,32H,8-15,17H2,1-7H3
HMDB01241	2-Aminomuconic acid	N\C(=C\C=C/C(O)=O)C(O)=O	InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1-,4-2+
HMDB01240	Pseudooxynicotine	CNCCCC(=O)C1=CC=CN=C1	InChI=1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3
HMDB01243	Isobutyryl-CoA	CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1
HMDB01242	Obtusifoliol	CC(CCC=C(C)C)C1CCC2(CO)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3	InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3
HMDB01245	dCDP	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1	InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
HMDB01244	15-Keto-13,14-dihydroprostaglandin A2	CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
HMDB01247	Aluminum	[Al+3]	InChI=1S/Al/q+3
HMDB40769	Dioxinoacrimarine A	COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OC(C)(CO2)\C=C\C2=C(O)C=CC3=C2OC(=O)C=C3)C=C1	InChI=1S/C29H23NO8/c1-29(11-10-17-20(31)7-4-15-5-9-23(33)37-27(15)17)14-36-28-22(38-29)8-6-18-25(28)30(2)19-12-16(35-3)13-21(32)24(19)26(18)34/h4-13,31-32H,14H2,1-3H3/b11-10+
HMDB40768	N-(2,5-Dihydroxyphenyl)pyridinium(1+)	OC1=CC=C(O)C(=C1)[N+]1=CC=CC=C1	InChI=1S/C11H9NO2/c13-9-4-5-11(14)10(8-9)12-6-2-1-3-7-12/h1-8H,(H-,13,14)/p+1
HMDB51832	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,40,43,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-39,41-42,44-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-,43-40-
HMDB40761	4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone	CC(C)C1=CC(=C(C)C=C1O)C1=C(C)C(=O)C(=O)C(=C1)C(C)C	InChI=1S/C20H24O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21H,1-6H3
HMDB40760	4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione	CC(C)C1=C(O)C=C(C)C(=C1)C1=C(C)C(=O)C(O)=C(C(C)C)C1=O	InChI=1S/C20H24O4/c1-9(2)13-8-14(11(5)7-15(13)21)17-12(6)18(22)20(24)16(10(3)4)19(17)23/h7-10,21,24H,1-6H3
HMDB40763	Italicene ether	CC1CCC2C(C)(C)OC3C=C(C)CCC123	InChI=1S/C15H24O/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)16-13(15)9-10/h9,11-13H,5-8H2,1-4H3
HMDB40762	5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone	CC(C)C1=CC(=C(C)C(=O)C1=O)C1=C(C)C(=O)C(=O)C(=C1)C(C)C	InChI=1S/C20H22O4/c1-9(2)13-7-15(11(5)17(21)19(13)23)16-8-14(10(3)4)20(24)18(22)12(16)6/h7-10H,1-6H3
HMDB40765	4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol	COC1=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C=C(O)C=C1O	InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-18-25(28)19-26(29)27(24)30-6/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
HMDB40764	Bolegrevilol	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(OC(C)=O)C(O)=CC(O)=C1	InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-18-26(30)19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
HMDB40767	Neoacrimarine E	COC1=C(OC)C2=C(C=C1)C(=O)C1=C(N2)C(C2CC(C)(C)OC3=C(C4=C(C=CC(=O)O4)C(O)=C23)C(C)(C)C=C)=C(OC)C=C1O	InChI=1S/C35H35NO9/c1-9-34(2,3)26-31-17(11-13-22(38)44-31)30(40)24-18(15-35(4,5)45-33(24)26)23-21(42-7)14-19(37)25-28(23)36-27-16(29(25)39)10-12-20(41-6)32(27)43-8/h9-14,18,37,40H,1,15H2,2-8H3,(H,36,39)
HMDB40766	Anethofuran	CC1COC2C=C(C)CCC12	InChI=1S/C10H16O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,8-10H,3-4,6H2,1-2H3
HMDB46088	TG(20:0/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,31,57H,4-8,10-11,13,15-16,19-20,22,24-25,28-30,32-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,31-27-
HMDB46089	TG(20:0/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,35,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34,36-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,35-33-
HMDB46082	TG(20:0/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,33-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-
HMDB46083	TG(20:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32-33,35,41,44,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,35-33-,44-41-
HMDB46080	TG(20:0/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,31,56H,4-8,10-11,13-17,19,22,24-26,28-30,32-55H2,1-3H3/b12-9-,21-18-,23-20-,31-27-
HMDB46081	TG(20:0/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,30-31,56H,4-8,10-11,13-17,19-20,22-25,28-29,32-55H2,1-3H3/b12-9-,21-18-,30-26-,31-27-
HMDB46086	TG(20:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,31-32,57H,4-8,10-11,13-17,19,22,24-26,28,30,33-56H2,1-3H3/b12-9-,21-18-,23-20-,31-27-,32-29-
HMDB46087	TG(20:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,30-31,36,39,56H,4-8,10-11,13-16,19,22-25,28-29,32-35,37-38,40-55H2,1-3H3/b12-9-,20-17-,21-18-,30-26-,31-27-,39-36-
HMDB46084	TG(20:0/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-
HMDB46085	TG(20:0/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-
HMDB43221	TG(15:0/18:1(11Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-
HMDB43220	TG(15:0/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H100O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(49-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB43223	TG(15:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB43222	TG(15:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19,22,49H,4-18,20-21,23-48H2,1-3H3/b22-19-
HMDB43225	TG(15:0/18:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-
HMDB43224	TG(15:0/18:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB43227	TG(15:0/18:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18-19,22,47H,4-14,16-17,20-21,23-46H2,1-3H3/b18-15-,22-19-
HMDB43226	TG(15:0/18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20,23,57H,4-19,21-22,24-56H2,1-3H3/b23-20-
HMDB43229	TG(15:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,51H,4-18,21,24-50H2,1-3H3/b22-19-,23-20-
HMDB43228	TG(15:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19-20,22-23,49H,4-18,21,24-48H2,1-3H3/b22-19-,23-20-
HMDB47931	TG(14:1(9Z)/18:1(11Z)/14:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14-15,17-19,22,46H,4-13,16,20-21,23-45H2,1-3H3/b17-14-,18-15-,22-19-
HMDB47930	TG(14:1(9Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H96O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(48-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18,20,23,49H,4-14,16-17,19,21-22,24-48H2,1-3H3/b18-15-,23-20-
HMDB47933	TG(14:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,50H,4-14,16-17,21,24-49H2,1-3H3/b18-15-,22-19-,23-20-
HMDB47932	TG(14:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18-20,22-23,48H,4-14,16-17,21,24-47H2,1-3H3/b18-15-,22-19-,23-20-
HMDB47935	TG(14:1(9Z)/18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,52H,4-14,16-17,19,21-22,25,27-51H2,1-3H3/b18-15-,23-20-,26-24-
HMDB47934	TG(14:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,50H,4-14,16-17,19,21-22,25,27-49H2,1-3H3/b18-15-,23-20-,26-24-
HMDB47937	TG(14:1(9Z)/18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,54H,4-14,16-17,19,21-22,25,27-53H2,1-3H3/b18-15-,23-20-,26-24-
HMDB47936	TG(14:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,29-30,36,39,52H,4-14,16-17,19,21-22,25,27-28,31-35,37-38,40-51H2,1-3H3/b18-15-,23-20-,26-24-,30-29-,39-36-
HMDB47939	TG(14:1(9Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,26,28,51H,4-14,16-17,21,24-25,27,29-50H2,1-3H3/b18-15-,22-19-,23-20-,28-26-
HMDB47938	TG(14:1(9Z)/18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,56H,4-14,16-17,19,21-22,25,27-55H2,1-3H3/b18-15-,23-20-,26-24-
HMDB45681	TG(20:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,37,40,54H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,40-37-
HMDB45680	TG(20:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,54H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-
HMDB45683	TG(20:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,35,38,43,46,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,38-35-,46-43-
HMDB45682	TG(20:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,38-35-
HMDB45685	TG(20:0/16:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-
HMDB45684	TG(20:0/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-
HMDB45687	TG(20:0/16:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB45686	TG(20:0/16:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB45689	TG(20:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20-21,23-24,52H,4-19,22,25-51H2,1-3H3/b23-20-,24-21-
HMDB45688	TG(20:0/16:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,20,23,50H,4-14,16-17,19,21-22,24-49H2,1-3H3/b18-15-,23-20-
HMDB46330	TG(22:0/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB46331	TG(22:0/18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB00503	7a-Hydroxy-3-oxo-5b-cholanoic acid	[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])CC(=O)CC[C@]12C	InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17?,18+,19+,20-,22+,23+,24-/m1/s1
HMDB46333	TG(22:0/18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-
HMDB46334	TG(22:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-
HMDB46335	TG(22:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-
HMDB46336	TG(22:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h26,32,58H,4-25,27-31,33-57H2,1-3H3/b32-26-
HMDB46337	TG(22:0/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,60H,4-25,27-28,30-59H2,1-3H3/b29-26-
HMDB46338	TG(22:0/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,35,37,43,46,60H,4-25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b29-26-,37-35-,46-43-
HMDB46339	TG(22:0/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-
HMDB47687	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,37-38,43-44,46-47,52,55,64H,4-7,9-10,12-16,19,22-25,28,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-
HMDB47686	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35,38-39,44,47,53,56,65H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,36-37,40-43,45-46,48-52,54-55,57-64H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-,39-30-,47-44-,56-53-
HMDB47685	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,43,49,52,58,61,70H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-38-,52-49-,61-58-
HMDB47684	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,37,41,47,50,56,59,68H,4-8,10-11,13-17,19-20,22-25,28,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-37-,50-47-,59-56-
HMDB47683	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB47682	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,39,45,48,54,57,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-35-,48-45-,57-54-
HMDB47681	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,37-38,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,38-27-,46-43-,55-52-
HMDB47680	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-,46-43-,55-52-
HMDB47689	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39-40,43,45,48,54,57,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-
HMDB47688	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,35,38,44,47,53,56,65H,4-7,9-10,12-14,16,19,21-23,25,28,30-34,36-37,39-43,45-46,48-52,54-55,57-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,38-35-,47-44-,56-53-
HMDB58897	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB28858	Hydroxyprolyl-Asparagine	NC(CC(N)=O)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C9H15N3O5/c10-5(2-7(11)14)8(15)12-3-4(13)1-6(12)9(16)17/h4-6,13H,1-3,10H2,(H2,11,14)(H,16,17)
HMDB28855	Glycyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NCC(O)=O	InChI=1S/C7H13N3O4/c8-4(1-2-5(9)11)7(14)10-3-6(12)13/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)
HMDB28854	Glycyl-Valine	CC(C)C(N)C(=O)NCC(O)=O	InChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)
HMDB28857	Hydroxyprolyl-Arginine	NC(CCCNC(N)=N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C11H21N5O4/c12-7(2-1-3-15-11(13)14)9(18)16-5-6(17)4-8(16)10(19)20/h6-8,17H,1-5,12H2,(H,19,20)(H4,13,14,15)
HMDB28856	Hydroxyprolyl-Alanine	CC(N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C8H14N2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3,9H2,1H3,(H,13,14)
HMDB28851	Glycyl-Threonine	CC(O)C(N)C(=O)NCC(O)=O	InChI=1S/C6H12N2O4/c1-3(9)5(7)6(12)8-2-4(10)11/h3,5,9H,2,7H2,1H3,(H,8,12)(H,10,11)
HMDB28850	Glycyl-Serine	NC(CO)C(=O)NCC(O)=O	InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)
HMDB28853	Glycyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NCC(O)=O	InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)
HMDB28852	Glycyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NCC(O)=O	InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)
HMDB44790	TG(18:0/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,57H,4-13,15-16,18-22,24-25,27-56H2,1-3H3/b17-14-,26-23-
HMDB44791	TG(18:0/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,58H,4-15,17-18,20-24,26-27,29-32,34-35,37-57H2,1-3H3/b19-16-,28-25-,36-33-
HMDB44793	TG(18:0/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,60H,4-15,17-18,20-24,26-27,29-59H2,1-3H3/b19-16-,28-25-
HMDB38898	6-C-Fucosylluteolin	CC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O	InChI=1S/C21H20O10/c1-7-17(26)19(28)20(29)21(30-7)16-12(25)6-14-15(18(16)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,17,19-23,25-29H,1H3
HMDB38899	2',4',5,7-Tetrahydroxy-8-prenylisoflavone	CC(C)=CCC1=C(O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(O)C=C1O	InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
HMDB44796	TG(18:0/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,30,56H,4-7,9-10,12-16,18-19,21-25,27-29,31-55H2,1-3H3/b11-8-,20-17-,30-26-
HMDB44797	TG(18:0/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,30,36,39,56H,4-7,9-10,12-16,18-19,21-25,27-29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,30-26-,39-36-
HMDB38894	Isoamyl p-anisate	COC1=CC=C(C=C1)C(=O)OCCC(C)C	InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3
HMDB38895	7-Hexyl-2-oxepanone	CCCCCCC1CCCCC(=O)O1	InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3
HMDB38896	2-(Methyldithio)propanoic acid, 9CI; Et ester	CCOC(=O)C(C)SSC	InChI=1S/C6H12O2S2/c1-4-8-6(7)5(2)10-9-3/h5H,4H2,1-3H3
HMDB38897	(E)-2-(2-Octenyl)cyclopentanone	CCCCC\C=C\CC1CCCC1=O	InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+
HMDB38890	Methyl 3-methyl-1-butenyl disulfide	CSS\C=C\C(C)C	InChI=1S/C6H12S2/c1-6(2)4-5-8-7-3/h4-6H,1-3H3/b5-4+
HMDB38891	Ethyl methyl trisulfide	CCSSSC	InChI=1S/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3
HMDB38892	1-(Methylthio)-1-butene	CC\C=C\SC	InChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+
HMDB38893	3,6-Dimethyl-2(3H)-benzofuranone	CC1C(=O)OC2=C1C=CC(C)=C2	InChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3
HMDB33718	Clitocine	NC1=NC=NC(NC2OC(CO)C(O)C2O)=C1N(=O)=O	InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)
HMDB33719	10-Nonacosanone	CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC	InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3
HMDB36948	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[6-O-acetyl-b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)]-4-O-acetyl-	CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(COC(C)=O)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C74H114O39/c1-26-53(107-61-47(89)40(82)32(79)22-99-61)46(88)51(93)63(101-26)112-59-57(110-65-50(92)45(87)43(85)35(105-65)24-98-28(3)77)54(103-29(4)78)27(2)102-66(59)113-68(97)74-18-17-69(5,6)19-31(74)30-11-12-37-70(7)15-14-39(71(8,25-76)36(70)13-16-72(37,9)73(30,10)20-38(74)81)106-67-58(111-64-49(91)44(86)42(84)34(21-75)104-64)55(52(94)56(109-67)60(95)96)108-62-48(90)41(83)33(80)23-100-62/h11,25-27,31-59,61-67,75,79-94H,12-24H2,1-10H3,(H,95,96)
HMDB36949	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[6-O-acetyl-b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)]-4-O-acety	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(COC(C)=O)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C75H116O39/c1-26-40(82)44(86)49(91)63(101-26)109-56-53(95)57(61(96)97)110-68(59(56)112-65-50(92)45(87)42(84)34(22-76)105-65)107-39-15-16-71(8)36(72(39,9)25-77)14-17-73(10)37(71)13-12-31-32-20-70(6,7)18-19-75(32,38(81)21-74(31,73)11)69(98)114-67-60(113-64-52(94)47(89)54(27(2)102-64)108-62-48(90)41(83)33(80)23-100-62)58(55(28(3)103-67)104-30(5)79)111-66-51(93)46(88)43(85)35(106-66)24-99-29(4)78/h12,25-28,32-60,62-68,76,80-95H,13-24H2,1-11H3,(H,96,97)
HMDB33712	Glycyrin	COC1=C(CC=C(C)C)C(OC)=C2C=C(C(=O)OC2=C1)C1=C(O)C=C(O)C=C1	InChI=1S/C22H22O6/c1-12(2)5-7-15-19(26-3)11-20-17(21(15)27-4)10-16(22(25)28-20)14-8-6-13(23)9-18(14)24/h5-6,8-11,23-24H,7H2,1-4H3
HMDB33713	2-Undecanone	CCCCCCCCCC(C)=O	InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
HMDB36946	3,12,14-Trihydroxybufa-4,20,22-trienolide; (3b,12b,14b)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-a-L-rhamnopyranoside]	CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(CCC5(O)C4CCC3=C2)C2=COC(=O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C36H52O14/c1-16-26(40)29(43)31(50-32-30(44)28(42)27(41)23(14-37)49-32)33(47-16)48-19-8-10-34(2)18(12-19)5-6-21-22(34)13-24(38)35(3)20(9-11-36(21,35)45)17-4-7-25(39)46-15-17/h4,7,12,15-16,19-24,26-33,37-38,40-45H,5-6,8-11,13-14H2,1-3H3
HMDB33711	5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone	OC(CCC1=CC=C(O)C=C1)CC(=O)CCC1=CC=CC=C1	InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2
HMDB36940	Spirostane-3,6-dione	CC1C2C(CC3C4CC(=O)C5CC(=O)CCC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3
HMDB33717	Isocitric acid; (1R,2R)-form	O[C@H]([C@@H](CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m1/s1
HMDB36942	3,16-Dihydroxy-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;2)]-a-L-rhamnopyranosyl-(1-&gt;2)]-4	CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C78H124O42/c1-26-40(86)56(114-66-51(97)46(92)43(89)33(21-79)109-66)60(117-65-50(96)42(88)32(84)25-105-65)69(106-26)119-62-59(116-67-52(98)47(93)44(90)34(22-80)110-67)55(108-28(3)82)27(2)107-70(62)120-72(103)78-18-17-73(4,5)19-30(78)29-11-12-37-75(8)15-14-39(74(6,7)36(75)13-16-76(37,9)77(29,10)20-38(78)85)112-71-61(118-68-53(99)48(94)45(91)35(23-81)111-68)57(54(100)58(115-71)63(101)102)113-64-49(95)41(87)31(83)24-104-64/h11,26-27,30-62,64-71,79-81,83-100H,12-25H2,1-10H3,(H,101,102)
HMDB33715	Agavasaponin H	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CC(=O)C3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C68H112O37/c1-22(20-91-59-49(85)44(80)41(77)33(16-69)96-59)9-12-68(90)23(2)38-32(105-68)14-30-28-8-7-26-13-27(10-11-66(26,5)29(28)15-37(74)67(30,38)6)95-63-52(88)46(82)55(35(18-71)98-63)101-64-53(89)47(83)56(36(19-72)99-64)102-65-58(104-60-48(84)40(76)31(73)21-92-60)57(42(78)34(17-70)97-65)103-62-51(87)45(81)54(25(4)94-62)100-61-50(86)43(79)39(75)24(3)93-61/h22-36,38-65,69-73,75-90H,7-21H2,1-6H3
HMDB39419	Cynarasaponin H	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-34(56)30(52)29(51)24(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(32(54)31(53)35(63-40)37(57)58)64-38-33(55)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)
HMDB39418	Congmunoside XIV	CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C57H92O23/c1-9-10-21-72-46(70)44-42(69)43(77-48-40(67)37(64)35(62)29(23-58)74-48)45(79-47-39(66)34(61)28(60)25-73-47)50(78-44)76-33-14-15-54(6)31(53(33,4)5)13-16-56(8)32(54)12-11-26-27-22-52(2,3)17-19-57(27,20-18-55(26,56)7)51(71)80-49-41(68)38(65)36(63)30(24-59)75-49/h11,27-45,47-50,58-69H,9-10,12-25H2,1-8H3
HMDB39417	Congmunoside XII	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C65H106O32/c1-60(2)14-16-65(59(85)97-57-50(84)45(79)40(74)32(93-57)24-88-54-47(81)42(76)37(71)29(20-67)90-54)17-15-63(6)25(26(65)18-60)8-9-34-62(5)12-11-35(61(3,4)33(62)10-13-64(34,63)7)94-58-52(51(27(69)22-86-58)95-55-48(82)43(77)38(72)30(21-68)91-55)96-56-49(83)44(78)39(73)31(92-56)23-87-53-46(80)41(75)36(70)28(19-66)89-53/h8,26-58,66-84H,9-24H2,1-7H3
HMDB39416	Congmunoside XIII	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C71H116O37/c1-66(2)14-16-71(65(94)108-62-53(92)48(87)42(81)34(103-62)25-97-59-50(89)45(84)39(78)30(20-73)99-59)17-15-69(6)26(27(71)18-66)8-9-36-68(5)12-11-37(67(3,4)35(68)10-13-70(36,69)7)104-64-57(107-61-52(91)47(86)41(80)33(102-61)24-96-58-49(88)44(83)38(77)29(19-72)98-58)55(28(76)23-95-64)105-63-54(93)56(43(82)32(22-75)101-63)106-60-51(90)46(85)40(79)31(21-74)100-60/h8,27-64,72-93H,9-25H2,1-7H3
HMDB39415	Oleanolic acid bisdesmosides; Pentaglycosides, 3-O-[b-D-Glucopyranosyl-(1-&gt;3)-[a-L-arabinopyranosyl-(1-&gt;4)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranosyl] ester	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-51-42(73)38(69)35(66)28(82-51)22-79-48-40(71)36(67)33(64)26(19-60)80-48)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)83-52-43(74)44(84-50-41(72)37(68)34(65)27(20-61)81-50)45(46(86-52)47(75)76)85-49-39(70)32(63)25(62)21-78-49/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)
HMDB39414	Congmunoside X	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C60H98O28/c1-55(2)14-16-60(54(78)88-51-44(76)41(73)36(68)28(21-63)81-51)17-15-58(6)24(25(60)18-55)8-9-32-57(5)12-11-33(56(3,4)31(57)10-13-59(32,58)7)84-53-48(87-50-43(75)40(72)35(67)27(20-62)80-50)47(38(70)30(23-65)83-53)86-52-45(77)46(37(69)29(22-64)82-52)85-49-42(74)39(71)34(66)26(19-61)79-49/h8,25-53,61-77H,9-23H2,1-7H3
HMDB39413	Calenduloside B	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-41-36(58)33(55)31(53)25(20-50)62-41)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/h8,23-41,49-59H,9-21H2,1-7H3
HMDB39412	Araliasaponin V	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3
HMDB39411	Phaseoloside E	CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9-10,17-18,27-62,64-71,78-100H,11-16,19-26H2,1-8H3,(H,101,102)
HMDB39410	Phaseoloside D	CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C65H104O31/c1-25-35(70)39(74)43(78)54(87-25)86-23-31-38(73)41(76)52(96-55-44(79)40(75)37(72)29(20-66)88-55)59(90-31)92-48-30(21-67)89-56(45(80)42(48)77)95-51-36(71)28(69)22-85-58(51)93-49-46(81)50(53(83)84)94-57(47(49)82)91-34-12-13-62(5)32(63(34,6)24-68)11-14-65(8)33(62)10-9-26-27-19-60(2,3)15-16-61(27,4)17-18-64(26,65)7/h9-10,17-18,25-52,54-59,66-82H,11-16,19-24H2,1-8H3,(H,83,84)
HMDB31620	Vestitone	COC1=CC(O)=C(C=C1)C1COC2=CC(O)=CC=C2C1=O	InChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3
HMDB31621	Cinnamylideneacetone	CC(=O)\C=C\C=C\C1=CC=CC=C1	InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5+,10-6+
HMDB31622	6-Phenyl-3-hexen-2-one	CC(=O)\C=C\CCC1=CC=CC=C1	InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,7-9H,6,10H2,1H3/b7-5+
HMDB31623	Ethyl phenylglycidate	CCOC(=O)C1OC1C1=CC=CC=C1	InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
HMDB31624	5-Phenyl-1-pentanol	OCCCCCC1=CC=CC=C1	InChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
HMDB31625	1-Phenyl-2-pentanol	CCCC(O)CC1=CC=CC=C1	InChI=1S/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3
HMDB31626	2-Phenylpropanal	CC(C=O)C1=CC=CC=C1	InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
HMDB31627	1-Phenyl-1-propanol	CCC(O)C1=CC=CC=C1	InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
HMDB31628	2-Phenyl-1-propanol	CC(CO)C1=CC=CC=C1	InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
HMDB31629	2-Oxo-3-phenylpropanoic acid (Mixture oxo and keto)	OC(=O)C(\O)=C/C1=CC=CC=C1.OC(=O)C(=O)CC1=CC=CC=C1	InChI=1S/2C9H8O3/c2*10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12);1-6,10H,(H,11,12)/b;8-6+
HMDB44246	TG(16:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,43,62H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41-42,44-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,43-40-
HMDB44247	TG(16:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,43-40-,52-49-
HMDB44244	TG(16:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,38,60H,4-7,9-10,12-16,18-19,21-24,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-35-
HMDB44245	TG(16:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,38,44,47,60H,4-7,9-10,12-16,18-19,21-24,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-35-,47-44-
HMDB44242	TG(16:0/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-
HMDB44243	TG(16:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,39,42,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,42-39-
HMDB44240	TG(16:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,43,62H,4-16,18-19,21-24,29-32,34,36-39,41-42,44-61H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,43-40-
HMDB44241	TG(16:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,43,49,52,62H,4-16,18-19,21-24,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,43-40-,52-49-
HMDB44248	TG(16:0/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-
HMDB44249	TG(16:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h19,22,26-27,51H,4-18,20-21,23-25,28-50H2,1-3H3/b22-19-,27-26-
HMDB57537	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1
HMDB15187	Nitrendipine	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC	InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
HMDB15186	Penicillin G	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O	InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
HMDB15185	Novobiocin	CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C	InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
HMDB15183	Ergoloid mesylate	CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C	InChI=1S/C29H37N5O5.CH4O3S/c1-15(2)28(27(37)34-16(3)26(36)33-10-6-9-23(33)29(34,38)39-28)31-25(35)18-11-20-19-7-5-8-21-24(19)17(13-30-21)12-22(20)32(4)14-18;1-5(2,3)4/h5,7-8,13,15-16,18,20,22-23,30,38H,6,9-12,14H2,1-4H3,(H,31,35);1H3,(H,2,3,4)/t16-,18+,20+,22+,23-,28+,29-;/m0./s1
HMDB15182	Abacavir	NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1	InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
HMDB15181	Fluocinonide	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O	InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1
HMDB15180	Lubiprostone	[H][C@@]12CC(=O)[C@@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)CCCC	InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15+,17+,20+/m0/s1
HMDB15189	Tocainide	CC(N)C(=O)NC1=C(C)C=CC=C1C	InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)
HMDB15188	Mimosine	N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O	InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
HMDB35592	Ammonium carbonate	[NH4+].[NH4+].[O-]C([O-])=O	InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3
HMDB56352	DG(22:4n6/0:0/22:5n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35,37,45,48H,3-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-
HMDB35593	Rishitin	CC1C(O)C(O)CC2=C1CC(CC2)C(C)=C	InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3
HMDB37705	Heptyl cinnamate	CCCCCCCOC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C16H22O2/c1-2-3-4-5-9-14-18-16(17)13-12-15-10-7-6-8-11-15/h6-8,10-13H,2-5,9,14H2,1H3/b13-12-
HMDB37704	Isoamyl cinnamate	CC(C)CCOC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8-
HMDB29890	Sorbitan tristearate	CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3
HMDB37706	Cyclohexyl cinnamate	O=C(OC1CCCCC1)\C=C/C1=CC=CC=C1	InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11-
HMDB29896	Cryptoxanthin diepoxide	C\C(\C=C\C=C(/C)\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-26-39-35(5,6)24-15-25-37(39,9)42-39)16-11-12-17-31(2)19-14-21-33(4)23-27-40-36(7,8)28-34(41)29-38(40,10)43-40/h11-14,16-23,26-27,34,41H,15,24-25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-22+,27-23+,30-16+,31-17+,32-20+,33-21+
HMDB29897	Serotinose	OC(COC1OCC(O)C(O)C1O)C(O)C(O)C(O)C=O.OC(COC1OCC(O)C(O)C1O)C1OC(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O	InChI=1S/3C11H20O10/c12-3-1-19-11(8(17)5(3)14)20-2-4(13)9-6(15)7(16)10(18)21-9;12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4;12-1-4(13)7(16)8(17)5(14)2-20-11-10(19)9(18)6(15)3-21-11/h2*3-18H,1-2H2;1,4-11,13-19H,2-3H2
HMDB29894	Xylobiose	OCC(OC1OCC(O)C(O)C1O)C(O)C(O)C=O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O	InChI=1S/2C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13;11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h3-16H,1-2H2;1,4-10,12-17H,2-3H2
HMDB29895	D-erythro-Eritadenine	NC1=NC=NC2=C1N=CN2CC(O)C(O)C(O)=O	InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)
HMDB29898	Inulobiose	OC[C@H]1O[C@](O)(CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
HMDB02658	6-Hydroxynicotinic acid	OC(=O)C1=CN=C(O)C=C1	InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
HMDB37709	4-Methylphenyl 3-methylbutanoate	CC(C)CC(=O)OC1=CC=C(C)C=C1	InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
HMDB37708	p-Tolyl isobutyrate	CC(C)C(=O)OC1=CC=C(C)C=C1	InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
HMDB35598	Aflatoxin B2a	COC1=CC2=C(C3CC(O)OC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2	InChI=1S/C17H14O7/c1-21-9-5-10-14(7-4-11(19)23-17(7)22-10)15-13(9)6-2-3-8(18)12(6)16(20)24-15/h5,7,11,17,19H,2-4H2,1H3
HMDB35599	Lucidenic acid G	CC(CCC(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(CO)C1CC3O	InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18,20,28-29,32H,6-13H2,1-5H3,(H,33,34)
HMDB57530	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,27-28,31-35,37-39,43,46,54,58,75-77,82H,5-20,22-24,26,29-30,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB14273	Vitamin C	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO	InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
HMDB08220	PC(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29,31,35,37,46H,6-8,10,12-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
HMDB08221	PC(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29,31,46H,6-7,12-13,18-19,23,27-28,30,32-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
HMDB08222	PC(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29,31,35,37,46H,6-7,12-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
HMDB08223	PC(18:3(9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,28,48H,6-8,10,12-14,16,18-20,22-27,29-47H2,1-5H3/b11-9-,17-15-,28-21-/t48-/m1/s1
HMDB08224	PC(18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,28,48H,6-8,10,12-14,16,18-19,23-27,29-47H2,1-5H3/b11-9-,17-15-,22-20-,28-21-/t48-/m1/s1
HMDB08225	PC(18:3(9Z,12Z,15Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,34,37,41H,6-7,9,11-13,15,17-19,21,23-33,35-36,38-40H2,1-5H3/b10-8-,16-14-,22-20-,37-34-
HMDB08226	PC(18:3(9Z,12Z,15Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,36,39,43H,6-8,10,12-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,39-36-
HMDB08227	PC(18:3(9Z,12Z,15Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,36,39,43H,6-8,10,12-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,39-36-
HMDB08228	PC(18:3(9Z,12Z,15Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,36,39,43H,6-8,10,12-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,39-36-
HMDB08229	PC(18:4(6Z,9Z,12Z,15Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h8,10,14,16,19-20,23-24,38H,6-7,9,11-13,15,17-18,21-22,25-37H2,1-5H3/b10-8-,16-14-,20-19-,24-23-/t38-/m1/s1
HMDB58397	CL(18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38,40,43,50,54,75-77,82H,5-20,22-24,26,29-30,35,37,39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,36-33-,38-34-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58396	CL(18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-38,42,48,52,73-75,80H,5-20,22-24,26,29-30,36,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,37-34-,42-38-,52-48-/t73?,74-,75-/m1/s1
HMDB58391	CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB58390	CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB58393	CL(18:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,36-37,39,74-76,81H,5-24,26,30,33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,32-28-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB58392	CL(18:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34-37,72-74,79H,5-24,26,30,33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB11983	Ganglioside GT1b (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C98H170N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-68(120)102-56(57(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-136-90-78(127)77(126)82(66(48-108)139-90)142-92-80(129)88(149-98(95(134)135)42-60(117)71(101-54(6)113)86(147-98)76(125)65(47-107)144-96(93(130)131)40-58(115)69(99-52(4)111)84(145-96)72(121)61(118)43-103)83(67(49-109)140-92)143-89-55(39-51(3)110)81(74(123)63(45-105)137-89)141-91-79(128)87(75(124)64(46-106)138-91)148-97(94(132)133)41-59(116)70(100-53(5)112)85(146-97)73(122)62(119)44-104/h35,37,55-67,69-92,103-109,114-119,121-129H,7-34,36,38-50H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,120)(H,130,131)(H,132,133)(H,134,135)/b37-35+/t55-,56+,57-,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75+,76-,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87+,88-,89+,90-,91+,92+,96-,97+,98+/m1/s1
HMDB11982	Ganglioside GT1b (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C96H164N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h21-22,33,35,53-65,67-90,101-107,112-117,119-127H,7-20,23-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b22-21-,35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1
HMDB11981	Ganglioside GT1b (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C96H164N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h17,19,33,35,53-65,67-90,101-107,112-117,119-127H,7-16,18,20-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b19-17-,35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1
HMDB11980	Ganglioside GT1b (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h33,35,53-65,67-90,101-107,112-117,119-127H,7-32,34,36-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b35-33+/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1
HMDB11987	Ganglioside GT1b (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C102H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(124)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-82(131)81(130)86(70(52-112)143-94)146-96-84(133)92(153-102(99(138)139)46-64(121)75(105-58(6)117)90(151-102)80(129)69(51-111)148-100(97(134)135)44-62(119)73(103-56(4)115)88(149-100)76(125)65(122)47-107)87(71(53-113)144-96)147-93-59(43-55(3)114)85(78(127)67(49-109)141-93)145-95-83(132)91(79(128)68(50-110)142-95)152-101(98(136)137)45-63(120)74(104-57(5)116)89(150-101)77(126)66(123)48-108/h39,41,59-71,73-96,107-113,118-123,125-133H,7-38,40,42-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/b41-39+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91+,92-,93+,94-,95+,96+,100-,101+,102+/m1/s1
HMDB11986	Ganglioside GT1b (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C101H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(123)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-81(130)80(129)85(69(51-111)142-93)145-95-83(132)91(152-101(98(137)138)45-63(120)74(104-57(6)116)89(150-101)79(128)68(50-110)147-99(96(133)134)43-61(118)72(102-55(4)114)87(148-99)75(124)64(121)46-106)86(70(52-112)143-95)146-92-58(42-54(3)113)84(77(126)66(48-108)140-92)144-94-82(131)90(78(127)67(49-109)141-94)151-100(97(135)136)44-62(119)73(103-56(5)115)88(149-100)76(125)65(122)47-107/h38,40,58-70,72-95,106-112,117-122,124-132H,7-37,39,41-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,123)(H,133,134)(H,135,136)(H,137,138)/b40-38+/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90+,91-,92+,93-,94+,95+,99-,100+,101+/m1/s1
HMDB11985	Ganglioside GT1b (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C100H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(122)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-80(129)79(128)84(68(50-110)141-92)144-94-82(131)90(151-100(97(136)137)44-62(119)73(103-56(6)115)88(149-100)78(127)67(49-109)146-98(95(132)133)42-60(117)71(101-54(4)113)86(147-98)74(123)63(120)45-105)85(69(51-111)142-94)145-91-57(41-53(3)112)83(76(125)65(47-107)139-91)143-93-81(130)89(77(126)66(48-108)140-93)150-99(96(134)135)43-61(118)72(102-55(5)114)87(148-99)75(124)64(121)46-106/h21-22,37,39,57-69,71-94,105-111,116-121,123-131H,7-20,23-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/b22-21-,39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89+,90-,91+,92-,93+,94+,98-,99+,100+/m1/s1
HMDB11984	Ganglioside GT1b (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C100H174N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(122)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-80(129)79(128)84(68(50-110)141-92)144-94-82(131)90(151-100(97(136)137)44-62(119)73(103-56(6)115)88(149-100)78(127)67(49-109)146-98(95(132)133)42-60(117)71(101-54(4)113)86(147-98)74(123)63(120)45-105)85(69(51-111)142-94)145-91-57(41-53(3)112)83(76(125)65(47-107)139-91)143-93-81(130)89(77(126)66(48-108)140-93)150-99(96(134)135)43-61(118)72(102-55(5)114)87(148-99)75(124)64(121)46-106/h37,39,57-69,71-94,105-111,116-121,123-131H,7-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/b39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89+,90-,91+,92-,93+,94+,98-,99+,100+/m1/s1
HMDB11989	Ganglioside GT1b (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C103H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(125)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-83(132)82(131)87(71(53-113)144-95)147-97-85(134)93(154-103(100(139)140)47-65(122)76(106-59(6)118)91(152-103)81(130)70(52-112)149-101(98(135)136)45-63(120)74(104-57(4)116)89(150-101)77(126)66(123)48-108)88(72(54-114)145-97)148-94-60(44-56(3)115)86(79(128)68(50-110)142-94)146-96-84(133)92(80(129)69(51-111)143-96)153-102(99(137)138)46-64(121)75(105-58(5)117)90(151-102)78(127)67(124)49-109/h40,42,60-72,74-97,108-114,119-124,126-134H,7-39,41,43-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,125)(H,135,136)(H,137,138)(H,139,140)/b42-40+/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88+,89?,90?,91?,92+,93-,94+,95-,96+,97+,101-,102+,103+/m1/s1
HMDB11988	Ganglioside GT1b (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C102H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(124)106-60(61(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-140-94-82(131)81(130)86(70(52-112)143-94)146-96-84(133)92(153-102(99(138)139)46-64(121)75(105-58(6)117)90(151-102)80(129)69(51-111)148-100(97(134)135)44-62(119)73(103-56(4)115)88(149-100)76(125)65(122)47-107)87(71(53-113)144-96)147-93-59(43-55(3)114)85(78(127)67(49-109)141-93)145-95-83(132)91(79(128)68(50-110)142-95)152-101(98(136)137)45-63(120)74(104-57(5)116)89(150-101)77(126)66(123)48-108/h21-22,39,41,59-71,73-96,107-113,118-123,125-133H,7-20,23-38,40,42-54H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/b22-21-,41-39+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91+,92-,93+,94-,95+,96+,100-,101+,102+/m1/s1
HMDB58539	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-39,41-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58538	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21,25-27,30-31,33,36-39,41-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB58531	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37-39,41-42,77-79,84H,5-24,27-28,31-34,36,40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB58530	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB58533	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35,37-39,41-42,77-79,84H,5-24,27,31,33-34,36,40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,32-28-,39-35-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB58532	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-40,75-77,82H,5-24,27,31,33-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB58535	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-43,78-80,85H,5-24,28,32-35,44-77H2,1-4H3,(H,90,91)(H,92,93)/b29-25-,30-26-,31-27-,40-36-,41-37-,42-38-,43-39-/t78?,79-,80-/m1/s1
HMDB13724	Thallium	[Cl-].[Tl+]	InChI=1S/ClH.Tl/h1H;/q;+1/p-1
HMDB58537	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-39,41-45,50,54,62,66,81-83,88H,5-20,22-24,28-29,32,34-35,40,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58536	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-39,41-44,48,56,60,79-81,86H,5-20,22-24,28-29,32,34-35,40,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB34979	gamma-Ionone	CC(=O)\C=C\C1C(=C)CCCC1(C)C	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+
HMDB34978	6-Epikarpoxanthin	C\C(\C=C/C=C(/C)\C=C/C1=C(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C/C=C(\C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O	InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13-,18-14-,22-21-,24-23+,29-15-,30-16+,31-19-,32-20+
HMDB34977	Karpoxanthin	C\C(\C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C\C=C(/C)\C=C/C=C(/C)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O	InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11-,17-13-,18-14-,22-21+,24-23+,29-15+,30-16+,31-19-,32-20-
HMDB34976	()-Borneol	CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2	InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
HMDB34975	Piperitone	CC(C)C1CCC(C)=CC1=O	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
HMDB34974	(R)-Carvotanacetone	CC(C)C1CC=C(C)C(=O)C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3
HMDB34973	Campholenic aldehyde	CC1=CCC(CC=O)C1(C)C	InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3
HMDB34972	(+)-Isomenthone	CC(C)[C@@H]1CC[C@H](C)CC1=O	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
HMDB34971	(1R,2R,3S,1'R)-Nepetalinic acid	CC(C1CCC(C)C1C(O)=O)C(O)=O	InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)
HMDB34970	(S)-alpha-Phellandrene	[H][C@]1(CC=C(C)C=C1)C(C)C	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1
HMDB44676	TG(18:0/14:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h24,26,52H,4-23,25,27-51H2,1-3H3/b26-24-
HMDB15600	Bepotastine	OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1	InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)
HMDB15601	Vapreotide	CC(C)C1NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(CC1=CC2=CC=CC=C2N1)C(N)=O)NC(=O)C(N)CC1=CC=CC=C1	InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
HMDB15602	Milnacipran	CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C1=CC=CC=C1	InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1
HMDB15603	Ximelagatran	CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1	InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1
HMDB15604	Permethrin	CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1	InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
HMDB15605	Tamibarotene	CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2	InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
HMDB15606	Lofexidine	CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1	InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
HMDB15607	Lucanthone	CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1	InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3
HMDB15608	Indacaterol	CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1	InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
HMDB15609	Trabectedin	[H][C@@]12CC3=C(C(O)=C(OC)C(C)=C3)[C@@]([H])(N1C)[C@@]1([H])N([C@H]2O)[C@@]2([H])COC(=O)[C@]3(CS[C@]1([H])C1=C(OC(C)=O)C(C)=C4OCOC4=C21)NCCC1=CC(O)=C(OC)C=C31	InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
HMDB32891	1-(4-Methoxyphenyl)-2-propanone	COC1=CC=C(CC(C)=O)C=C1	InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
HMDB45285	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB45284	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,48,51,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-
HMDB44670	TG(18:0/14:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB53628	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h7,10,14-19,23-28,32-33,39,42,48,51,60H,4-6,8-9,11-13,20-22,29-31,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,33-32-,42-39-,51-48-
HMDB53629	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,36,39-40,43,49,52,61H,4-6,8-9,11-14,21-23,30-31,33,35,37-38,41-42,44-48,50-51,53-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,52-49-
HMDB29308	Hexamethylquercetagetin	COC1=CC2=C(C(=O)C(OC)=C(O2)C2=CC(OC)=C(OC)C=C2)C(OC)=C1OC	InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3
HMDB29309	Spirost-5-en-3-ol; (3b,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;4)-[a-L-rhamnopyranosyl-(1-&gt;2)]-b-D-glucopyranoside]	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C51H82O21/c1-20-9-14-51(63-19-20)21(2)32-29(72-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)66-48-44(71-45-38(59)35(56)33(54)22(3)64-45)41(62)43(31(18-53)68-48)70-46-40(61)37(58)42(23(4)65-46)69-47-39(60)36(57)34(55)30(17-52)67-47/h7,20-23,25-48,52-62H,8-19H2,1-6H3
HMDB29302	1-Phenyl-6,7-dihydroxy-isochroman	[H]OC1=C([H])C2=C(C(=C1O[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])OC([H])([H])C2([H])[H]	InChI=1S/C15H14O3/c16-13-8-11-6-7-18-9-12(11)14(15(13)17)10-4-2-1-3-5-10/h1-5,8,16-17H,6-7,9H2
HMDB29303	1-(3-methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman	[H]OC1=C([H])C2=C(C(=C1O[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H])C([H])([H])OC([H])([H])C2([H])[H]	InChI=1S/C16H16O5/c1-20-14-7-10(2-3-12(14)17)15-11-8-21-5-4-9(11)6-13(18)16(15)19/h2-3,6-7,17-19H,4-5,8H2,1H3
HMDB29300	p-Anisidine	COC1=CC=C(N)C=C1	InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
HMDB29301	5,5',6,6'-Tetrahydroxy-3,3'-biindolyl	[H]OC1=C([H])C2=C(C([H])=C1O[H])C(=C([H])N2[H])C1=C([H])N([H])C2=C1C([H])=C(O[H])C(O[H])=C2[H]	InChI=1S/C16H12N2O4/c19-13-1-7-9(5-17-11(7)3-15(13)21)10-6-18-12-4-16(22)14(20)2-8(10)12/h1-6,17-22H
HMDB29306	4-Ethylphenol	CCC1=CC=C(O)C=C1	InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
HMDB29307	4',7-Dihydroxy-2',5-dimethoxyisoflavone	COC1=CC(O)=CC2=C1C(=O)C(=CO2)C1=C(OC)C=C(O)C=C1	InChI=1S/C17H14O6/c1-21-13-5-9(18)3-4-11(13)12-8-23-15-7-10(19)6-14(22-2)16(15)17(12)20/h3-8,18-19H,1-2H3
HMDB29304	3,4-DHPEA-EA	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C([H])([H])C([H])([H])OC(=O)C([H])([H])[C@]1([H])C(=C([H])O[C@@]([H])(O[H])\C1=C(/[H])C([H])([H])[H])C(=O)OC([H])([H])[H]	InChI=1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3+/t13-,19+/m0/s1
HMDB29305	p-HPEA-EDA	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])(C(\C([H])=O)=C(\[H])C([H])([H])[H])C([H])([H])C([H])=O	InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-
HMDB45283	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30-32,37-38,40-41,46,49,58H,4-7,9-10,12-15,18,21-24,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-
HMDB42063	TG(14:0/14:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3
HMDB45289	TG(18:0/18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,54H,4-8,10-11,13-17,19-20,22-26,28-29,31-53H2,1-3H3/b12-9-,21-18-,30-27-
HMDB45288	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,46,49,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-,49-46-
HMDB46958	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,37,40,46,49,58H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-,40-37-,49-46-
HMDB46959	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,34-32-,42-39-,51-48-
HMDB53085	TG(18:3(6Z,9Z,12Z)/20:2n6/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31,33,35,37,40,57H,4-13,15,20,22,24,29-30,32,34,36,38-39,41-56H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-
HMDB49577	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,26-27,29-30,36,39,54H,4-8,10-11,13-17,20,23-25,28,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,22-19-,29-26-,30-27-,39-36-
HMDB43896	TG(16:0/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-
HMDB43897	TG(16:0/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h25-26,56H,4-24,27-55H2,1-3H3/b26-25-
HMDB58111	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-38,40-41,76-78,83H,5-24,26,28,30,32-33,35,39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,38-34-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB58232	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-8,10-12,14-20,24,29-31,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB11619	Arachidyl alcohol	CCCCCCCCCCCCCCCCCCCCO	InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
HMDB11618	All-trans-13,14-dihydroretinol	CC(CCO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+
HMDB58233	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-67,70-71,87-89,94H,5-8,10,12,14,16-20,24,29-31,36,40-42,49-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB11612	6-Hydroxy flavin adenine dinucleotide	CC1=C(C)C(O)=C2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)C2=C1	InChI=1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t12-,13+,14+,19-,20+,21+,26+/m0/s1
HMDB11610	5-Taurinomethyl-2-thiouridine	OC[C@H]1O[C@H](C(O)C1O)N1C=C(CNCCS(O)(=O)=O)C(=O)NC1=S	InChI=1S/C12H19N3O8S2/c16-5-7-8(17)9(18)11(23-7)15-4-6(10(19)14-12(15)24)3-13-1-2-25(20,21)22/h4,7-9,11,13,16-18H,1-3,5H2,(H,14,19,24)(H,20,21,22)/t7-,8?,9?,11-/m1/s1
HMDB11617	Adenosine 2'-phosphate	NC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1
HMDB11616	Adenosine 2',3'-cyclic phosphate	NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC12	InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)
HMDB11615	8-Oxo-dGTP	NC1=NC(=O)C2=C(N1)N(C1C[C@H](O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1)C(=O)N2	InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4?,5?/m0/s1
HMDB11614	7-Methyladenine	CN1C=NC2=NC=NC(N)=C12	InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)
HMDB46297	TG(22:0/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,37,40,59H,4-15,17-18,20-24,26,28-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,27-25-,33-31-,40-37-
HMDB58231	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB55709	TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-7,10,13-16,19,22-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB43890	TG(16:0/16:0/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,46H,4-14,16-17,19-45H2,1-3H3/b18-15-
HMDB46296	TG(22:0/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,59H,4-15,17-18,20-24,26,28-58H2,1-3H3/b19-16-,27-25-
HMDB55705	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB46954	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB55707	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB55706	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB55701	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,60H,4-6,9,12-15,18,21-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB46295	TG(22:0/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,40,43,57H,4-16,18-19,21-25,27,29-32,34,36-39,41-42,44-56H2,1-3H3/b20-17-,28-26-,35-33-,43-40-
HMDB06369	ADP-Mannose	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1	InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12+,15-,16-/m1/s1
HMDB06368	Gamma-linolenoyl-CoA	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1
HMDB46294	TG(22:0/15:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,57H,4-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b20-17-,28-26-,35-33-
HMDB58234	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-8,10,12,14,16-20,24,29-31,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB46293	TG(22:0/15:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,56H,4-13,15-16,18-22,24-25,27-55H2,1-3H3/b17-14-,26-23-
HMDB58235	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-/t84-,85-/m1/s1
HMDB46292	TG(22:0/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,36,38,55H,4-16,18-19,21-25,27-30,32-35,37,39-54H2,1-3H3/b20-17-,31-26-,38-36-
HMDB57633	CL(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-39,74-76,81H,5-24,26-27,30-31,33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB44888	TG(18:0/16:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,20,23,48H,4-14,16-17,19,21-22,24-47H2,1-3H3/b18-15-,23-20-
HMDB57631	CL(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(84,85)90-66-72(79)67-91-97(86,87)93-71-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34-37,72-74,79H,5-24,26,30,33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB57630	CL(16:1(9Z)/18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,28,32-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57637	CL(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-40,42,50,54,75-77,82H,5-20,22-24,26-27,29-31,37,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,38-34-,39-35-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB46291	TG(22:0/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h20,23,28,32,56H,4-19,21-22,24-27,29-31,33-55H2,1-3H3/b23-20-,32-28-
HMDB57635	CL(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-38,41,48,52,73-75,80H,5-20,22-24,26,29-30,36,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,37-34-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB44889	TG(18:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20-21,23-24,50H,4-19,22,25-49H2,1-3H3/b23-20-,24-21-
HMDB57639	CL(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-39,43,46,54,58,75-77,82H,5-20,22-24,26,29-30,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB46290	TG(22:0/15:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,61H,4-24,26,28-60H2,1-3H3/b27-25-
HMDB52281	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-8,10-11,13-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB52280	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,39-40,43,45,48,54,57,66H,4-8,10-11,13-16,19,22-24,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-
HMDB52283	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-
HMDB52282	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-
HMDB52285	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,40,66H,4-8,10-11,13-17,19-20,22-24,30-39,41-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,40-27-
HMDB52284	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,43,46,52,55,65H,4-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-51,53-54,56-64H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,46-43-,55-52-
HMDB52287	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,34-35,40,43,60H,4-8,10-11,13-16,19,22-24,29-33,36-39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-
HMDB52286	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,35-36,61H,4-8,10-11,13-17,19,22,24,26,30-34,37-60H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-,36-29-
HMDB52289	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,39,62H,4-8,10-11,13-16,19,22-24,30-35,38,40-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-
HMDB52288	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,35,61H,4-8,10-11,13,15-16,19-20,22,24,29-34,36-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,35-27-
HMDB44880	TG(18:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,36,39,52H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,39-36-
HMDB59285	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-44,46,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,45,47-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB44881	TG(18:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,33,36,54H,4-6,8-9,11-14,17,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,36-33-
HMDB41942	n-acetyl-s-(n-methylcarbamoyl)cysteine	[H][C@@](CSC(O)=NC)(N=C(C)O)C(O)=O	InChI=1S/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m0/s1
HMDB44882	TG(18:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,33,36,41,44,54H,4-6,8-9,11-14,17,20-23,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,36-33-,44-41-
HMDB41943	n-acetyldopamine	CC(O)=NCCC1=CC(O)=C(O)C=C1	InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)
HMDB44883	TG(18:0/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-
HMDB44884	TG(18:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,52H,4-20,22-23,25-51H2,1-3H3/b24-21-
HMDB44885	TG(18:0/16:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-
HMDB44325	TG(16:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,35,38,44,47,57H,4-13,15,18,20-22,24,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,38-35-,47-44-
HMDB44886	TG(18:0/16:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-
HMDB44324	TG(16:0/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,35,38,57H,4-13,15,18,20-22,24,28-29,32-34,36-37,39-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,38-35-
HMDB47162	TG(24:0/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,42,45,51,54,68H,4-17,19-20,22-26,28-29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b21-18-,30-27-,45-42-,54-51-
HMDB44887	TG(18:0/16:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB44327	TG(16:0/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,34,37,53H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-33,35-36,38-52H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-,37-34-
HMDB47163	TG(24:0/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,70H,4-17,19-20,22-26,28-29,31-69H2,1-3H3/b21-18-,30-27-
HMDB10568	PE-NMe2(16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO8P/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3)4)37-47-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h19-20,39H,5-18,21-38H2,1-4H3,(H,45,46)/b20-19-/t39-/m1/s1
HMDB10569	PE-NMe(16:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H78NO8P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h18-19,38,41H,4-17,20-37H2,1-3H3,(H,44,45)/b19-18-/t38-/m1/s1
HMDB10562	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,52-57,66H,4-6,13-15,22-24,31-33,40-42,49-51,58-65H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-,57-54-
HMDB44321	TG(16:0/20:2n6/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,33,55H,4-13,15,18,20-22,24,28-30,32,34-54H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,33-31-
HMDB10560	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,40-45,49-54,64H,4-6,13-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB10561	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,52-53,55-56,66H,4-6,13-15,22-24,31-33,40-42,49-51,54,57-65H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-
HMDB10566	PE-NMe2(16:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H78NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3)4)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3,(H,43,44)/t37-/m1/s1
HMDB10567	PE-NMe(16:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C38H76NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39-3)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36,39H,4-35H2,1-3H3,(H,42,43)/t36-/m1/s1
HMDB10564	PE-NMe2(18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,47,48)/b21-19-,22-20-/t41-/m1/s1
HMDB10565	PE-NMe(18:1(9Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,40,43H,4-17,22-39H2,1-3H3,(H,46,47)/b20-18-,21-19-/t40-/m1/s1
HMDB07096	DG(16:0/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12,31,34H,3-9,11,13-30H2,1-2H3/b12-10-/t31-/m0/s1
HMDB07097	DG(16:0/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(36)38-31-32(30-35)39-34(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1
HMDB07094	DG(15:0/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40,43H,3-16,19-39H2,1-2H3/b18-17-/t40-/m0/s1
HMDB07095	DG(16:0/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m0/s1
HMDB07092	DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t38-/m0/s1
HMDB07093	DG(15:0/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3/t40-/m0/s1
HMDB07090	DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,29,31,38,41H,3-10,12,14-16,19,22,24,26-28,30,32-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-,31-29-/t38-/m0/s1
HMDB07091	DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-/t38-/m0/s1
HMDB04215	3,3',4'5-Tetrahydroxystilbene	OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1	InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
HMDB41949	nitecapone	CC(=O)C(=CC1=CC(=C(O)C(O)=C1)N(=O)=O)C(C)=O	InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3
HMDB07098	DG(16:0/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
HMDB07099	DG(16:0/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36H,3-13,15,17-32H2,1-2H3/b16-14-/t33-/m0/s1
HMDB54373	TG(22:2(13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,39,42,48,51,62H,4-15,18,21-24,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB48798	TG(16:1(9Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,31,33,39,42,55H,4-13,15,18,20,22,28-30,32,34-38,40-41,43-54H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,33-31-,42-39-
HMDB48799	TG(16:1(9Z)/20:2n6/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,57H,4-13,15,18,20,22,28-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-
HMDB54372	TG(22:2(13Z,16Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,34,39,42,62H,4-15,18,21-24,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,42-39-
HMDB48794	TG(16:1(9Z)/20:2n6/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,19,21-24,26-27,29,54H,4-13,15-16,18,20,25,28,30-53H2,1-3H3/b17-14-,22-19-,24-21-,26-23-,29-27-
HMDB48795	TG(16:1(9Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16-17,20-22,24-26,28,34,37,53H,4-12,14-15,18-19,23,27,29-33,35-36,38-52H2,1-3H3/b16-13-,20-17-,24-21-,25-22-,28-26-,37-34-
HMDB48796	TG(16:1(9Z)/20:2n6/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13-14,16-17,21-26,54H,4-12,15,18-20,27-53H2,1-3H3/b16-13-,17-14-,24-21-,25-22-,26-23-
HMDB48797	TG(16:1(9Z)/20:2n6/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,31,33,55H,4-13,15,18,20,22,28-30,32,34-54H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,33-31-
HMDB48790	TG(16:1(9Z)/20:2n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,55H,4-13,15-16,18-20,22,28-54H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB48791	TG(16:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,31,33,39,42,55H,4-13,15-16,18-20,22,28-30,32,34-38,40-41,43-54H2,1-3H3/b17-14-,24-21-,26-23-,27-25-,33-31-,42-39-
HMDB48792	TG(16:1(9Z)/20:2n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,57H,4-13,15-16,18-20,22,28-56H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB48793	TG(16:1(9Z)/20:2n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,59H,4-13,15-16,18-20,22,28-58H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB56942	CL(18:0/16:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h34-35,37-38,73-75,80H,5-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB56943	CL(18:0/16:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1
HMDB56940	CL(18:0/16:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h34,37,73-75,80H,5-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b37-34-/t73?,74-,75-/m1/s1
HMDB54370	TG(22:2(13Z,16Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-
HMDB56946	CL(18:0/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25,33,35,38,42,48,52,73-75,80H,5-20,22-24,26-32,34,36-37,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,42-38-,52-48-/t73?,74-,75-/m1/s1
HMDB47168	TG(24:0/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,42,45,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,30-27-,45-42-
HMDB56944	CL(18:0/16:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1
HMDB56945	CL(18:0/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB54377	TG(22:2(13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,37,43,46,60H,4-7,9-10,12-15,18,21-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-35-,46-43-
HMDB56948	CL(18:0/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27-32,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB47169	TG(24:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,42,45,51,54,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b12-9-,21-18-,30-27-,45-42-,54-51-
HMDB54376	TG(22:2(13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,35,37,60H,4-7,9-10,12-15,18,21-24,27,30-34,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-35-
HMDB58230	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB07548	DG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,41,44H,3-4,9-10,15-16,21-22,27-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1
HMDB07549	DG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,30,32,41,44H,3-4,9-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1
HMDB07544	DG(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,41,44H,3-4,6,8-10,15-16,21-22,24,26-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-/t41-/m0/s1
HMDB07545	DG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,30,32,41,44H,3-4,6,8-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1
HMDB07546	DG(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,41,44H,3-4,6,8-10,15-16,21-22,27-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1
HMDB07547	DG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,30,32,41,44H,3-4,6,8-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1
HMDB07540	DG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,39,42H,3-4,9-10,15-16,20,24-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t39-/m0/s1
HMDB07541	DG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,39,42H,3-4,9-10,15-16,20,24-25,27,29-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1
HMDB07542	DG(20:4(8Z,11Z,14Z,17Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-/t41-/m0/s1
HMDB07543	DG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-/t41-/m0/s1
HMDB02685	Prostaglandin F1a	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O	InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
HMDB54378	TG(22:2(13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,39,42,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,42-39-
HMDB02689	13,14-Dihydro PGE1	CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O	InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1
HMDB41164	Alatanin B	COC1=CC(\C=C\C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(OC6OC(COC(=O)\C=C\C7=CC(OC)=C(O)C(OC)=C7)C(O)C(O)C6O)C=C5[O+]=C4C4=CC=C(O)C(OC5OC(CO)C(O)C(O)C5O)=C4)C(O)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C61H70O34/c1-81-32-11-23(12-33(82-2)43(32)67)5-9-41(65)85-20-38-46(70)50(74)53(77)58(93-38)87-22-40-48(72)52(76)56(80)61(95-40)91-36-18-27-29(64)16-26(17-30(27)89-57(36)25-7-8-28(63)31(15-25)90-60-55(79)49(73)45(69)37(19-62)92-60)88-59-54(78)51(75)47(71)39(94-59)21-86-42(66)10-6-24-13-34(83-3)44(68)35(14-24)84-4/h5-18,37-40,45-56,58-62,69-80H,19-22H2,1-4H3,(H3-,63,64,65,66,67,68)/p+1
HMDB41165	Alatanin A	COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC(O)=C4C=C(OC5OC(COC6OC(COC(=O)\C=C\C7=CC(OC)=C(O)C(OC)=C7)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C(O)C5O)C(=[O+]C4=C3)C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C67H80O39/c1-90-33-11-24(12-34(91-2)45(33)74)5-9-43(72)94-21-40-49(78)54(83)56(85)64(104-40)97-27-16-30(71)28-18-37(61(98-31(28)17-27)26-7-8-29(70)32(15-26)99-65-57(86)52(81)47(76)38(19-68)101-65)100-66-58(87)55(84)50(79)41(105-66)23-96-63-60(89)62(106-67-59(88)53(82)48(77)39(20-69)102-67)51(80)42(103-63)22-95-44(73)10-6-25-13-35(92-3)46(75)36(14-25)93-4/h5-18,38-42,47-60,62-69,76-89H,19-23H2,1-4H3,(H3-,70,71,72,73,74,75)/p+1
HMDB41166	Cycloartocarpin	COC1=CC=C2C(OC(C=C(C)C)C3=C2OC2=CC(O)=C(\C=C\C(C)C)C(O)=C2C3=O)=C1	InChI=1S/C26H26O6/c1-13(2)6-8-16-18(27)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(30-5)7-9-17(19)26(23)32-21/h6-13,20,27-28H,1-5H3/b8-6+
HMDB41167	(-)-Shinpterocarpin	CC1(C)OC2=C(C=C1)C1=C(C=C2)C2OC3=C(C=CC(O)=C3)C2CO1	InChI=1S/C20H18O4/c1-20(2)8-7-13-16(24-20)6-5-14-18(13)22-10-15-12-4-3-11(21)9-17(12)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3
HMDB41160	Cyanidin 3-O-[b-D-Xylopyranosyl-(1-&gt;2)-[(4-hydroxybenzoyl)-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;6)]-b-D-galactopyranoside]	OC1COC(OC2C(O)C(O)C(COC3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)OC2OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C39H42O22/c40-16-4-1-14(2-5-16)36(53)54-12-25-28(47)30(49)33(52)37(59-25)56-13-26-29(48)31(50)35(61-38-32(51)27(46)22(45)11-55-38)39(60-26)58-24-10-18-20(43)8-17(41)9-23(18)57-34(24)15-3-6-19(42)21(44)7-15/h1-10,22,25-33,35,37-39,45-52H,11-13H2,(H4-,40,41,42,43,44,53)/p+1
HMDB41161	Cyanidin 3-O-[b-D-Xylopyranosyl-(1-&gt;2)-[4-hydroxycinnamoyl-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;6)]-b-D-galactopyranoside]	OC1COC(OC2C(O)C(O)C(COC3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C3O)OC2OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p+1
HMDB41162	Cyanidin 3-O-[b-D-Xylopyranosyl-(1-&gt;2)-[(4-hydroxy-3-methoxycinnamoyl)-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;6)]-b-D-galactopyranoside]	COC1=CC(\C=C\C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)=CC=C1O	InChI=1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1
HMDB41163	Alatanin C	COC1=CC(\C=C\C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)C(O)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C38H40O20/c1-51-23-7-15(8-24(52-2)29(23)44)3-6-28(43)53-13-26-30(45)32(47)34(49)37(57-26)54-14-27-31(46)33(48)35(50)38(58-27)56-25-12-18-20(41)10-17(39)11-22(18)55-36(25)16-4-5-19(40)21(42)9-16/h3-12,26-27,30-35,37-38,45-50H,13-14H2,1-2H3,(H4-,39,40,41,42,43,44)/p+1
HMDB50625	TG(20:1(11Z)/20:2n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,61H,4-14,16-17,19-23,30-60H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB50624	TG(20:1(11Z)/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,34,36,42,45,59H,4-14,16-17,19-23,30-33,35,37-41,43-44,46-58H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,36-34-,45-42-
HMDB50627	TG(20:1(11Z)/20:2n6/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-25,27-29,32,58H,4-14,16-17,19,21-22,26,30-31,33-57H2,1-3H3/b18-15-,23-20-,27-24-,28-25-,32-29-
HMDB50626	TG(20:1(11Z)/20:2n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,63H,4-14,16-17,19-23,30-62H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB41168	Myrigalone G	COC1=C(C)C(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1	InChI=1S/C17H18O4/c1-11-15(21-2)10-14(19)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
HMDB41169	Myrigalone H	COC1=CC(O)=C(C)C(O)=C1C(=O)CCC1=CC=CC=C1	InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
HMDB50623	TG(20:1(11Z)/20:2n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,59H,4-14,16-17,19-23,30-58H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB50622	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31,38,41,57H,4-17,19-20,22-24,26,29-30,32-37,39-40,42-56H2,1-3H3/b21-18-,28-25-,31-27-,41-38-
HMDB42396	TG(14:0/20:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB42397	TG(14:0/20:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB58237	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,46,50,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-/t77?,78-,79-/m1/s1
HMDB42394	TG(14:0/20:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h24,26,52H,4-23,25,27-51H2,1-3H3/b26-24-
HMDB42395	TG(14:0/20:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-
HMDB42392	TG(14:0/20:1(11Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h24-25,49H,4-23,26-48H2,1-3H3/b25-24-
HMDB42393	TG(14:0/20:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h24-25,50H,4-23,26-49H2,1-3H3/b25-24-
HMDB42391	TG(14:0/20:1(11Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h23-24,48H,4-22,25-47H2,1-3H3/b24-23-
HMDB00019	Alpha-ketoisovaleric acid	CC(C)C(=O)C(O)=O	InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
HMDB00017	4-Pyridoxic acid	CC1=NC=C(CO)C(C(O)=O)=C1O	InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
HMDB00016	Deoxycorticosterone	[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
HMDB00015	Cortexolone	[H]C12CC[C@](O)(C(=O)CO)[C@@]1(C)CCC1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16?,17?,19+,20+,21+/m1/s1
HMDB00014	Deoxycytidine	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1	InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
HMDB52435	TG(18:2(9Z,12Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,33,36,53H,4-7,9-10,12-16,18,21,23-25,30-32,34-35,37-52H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-,36-33-
HMDB00012	Deoxyuridine	OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
HMDB00011	(R)-3-Hydroxybutyric acid	C[C@@H](O)CC(O)=O	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
HMDB00010	2-Methoxyestrone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3	InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
HMDB46489	TG(22:0/18:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-
HMDB32023	3beta-Allosolanidan-3-ol	CC1C2CCC(C)CN2C2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12	InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3
HMDB32022	Tsugaric acid A	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O	InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)
HMDB32021	Norbixin; (9Z,9'Z)-form, Di-Me ester	COC(=O)\C=C\C(\C)=C/C=C\C(\C)=C\C=C\C=C(\C)/C=C/C=C(/C)\C=C/C(=O)OC	InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9-,14-10+,19-17+,20-18-,21-11+,22-12-,23-15-,24-16-
HMDB32020	4-(beta-Methylaminoethyl)catechol	CNCCC1=CC(O)=C(O)C=C1	InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3
HMDB32027	3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone	CC(C)\C=C1\OC(=O)C2=CC=CCC12	InChI=1S/C12H14O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-4,6-9H,5H2,1-2H3/b11-7+
HMDB32026	Sinalexin	CON1C2=C(C=NS2)C2=C1C=CC=C2	InChI=1S/C10H8N2OS/c1-13-12-9-5-3-2-4-7(9)8-6-11-14-10(8)12/h2-6H,1H3
HMDB32025	4'-Isopropylacetophenone	CC(C)C1=CC=C(C=C1)C(C)=O	InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3
HMDB32024	4-Ethylbenzaldehyde	CCC1=CC=C(C=O)C=C1	InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
HMDB52911	TG(18:3(6Z,9Z,12Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,36,38,41-42,45,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-
HMDB52910	TG(18:3(6Z,9Z,12Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,36,38,41,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34-35,37,39-40,42-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,36-33-,41-38-
HMDB32029	2-Isopropylphenol	CC(C)C1=C(O)C=CC=C1	InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
HMDB32028	(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone	CC(C)\C=C1\OC(=O)C2=CC=CC=C12	InChI=1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7+
HMDB52915	TG(18:3(6Z,9Z,12Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,32-33,38-39,41-42,58H,4-16,19,22-25,28-31,34-37,40,43-57H2,1-3H3/b20-17-,21-18-,32-26-,33-27-,41-38-,42-39-
HMDB52914	TG(18:3(6Z,9Z,12Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,37,40,57H,4-17,19-20,22-26,28-30,32-36,38-39,41-56H2,1-3H3/b21-18-,31-27-,40-37-
HMDB52917	TG(18:3(6Z,9Z,12Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,38,40,43,60H,4-16,19,22-25,28,30-33,36-37,39,41-42,44-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,38-35-,43-40-
HMDB52916	TG(18:3(6Z,9Z,12Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,33,39,42,59H,4-13,15-16,19-20,22,24-25,28-32,34-38,40-41,43-58H2,1-3H3/b17-14-,21-18-,26-23-,33-27-,42-39-
HMDB57398	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57399	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57394	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57395	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57396	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57397	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,67,71,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-53,57,61-66,68-70,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-/t87?,88-,89-/m1/s1
HMDB57390	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,48,52-54,57-58,60,64-66,69-70,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47,49-51,55-56,59,61-63,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57391	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57392	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-9,11-13,15-20,24,28-32,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57393	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-67,70-71,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB06343	Selenocystathionine	NC(CC[Se]CC(N)C(O)=O)C(O)=O	InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
HMDB58083	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37,39-40,42,46,50,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,38,41,43-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,50-46-/t79?,80-,81-/m1/s1
HMDB55118	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-7,10,13-15,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB01659	Acetone	CC(C)=O	InChI=1S/C3H6O/c1-3(2)4/h1-2H3
HMDB31422	cis-Piceid	[H]OC1=C([H])C([H])=C(\C([H])=C(\[H])C2=C([H])C(O[H])=C([H])C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=C2[H])C([H])=C1[H]	InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1
HMDB31423	omega-Salicoyisalicin	OCC1OC(OC2=C(COC(=O)C3=C(O)C=CC=C3)C=CC=C2)C(O)C(O)C1O	InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-4-1-5-11(14)10-27-19(26)12-6-2-3-7-13(12)22/h1-8,15-18,20-25H,9-10H2
HMDB31420	Heliannone C	COC1=C(O)C=CC2=C1OC(CC2=O)C1=CC=C(O)C=C1	InChI=1S/C16H14O5/c1-20-16-12(18)7-6-11-13(19)8-14(21-15(11)16)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
HMDB31421	Heliannone B	COC1=C(OC)C2=C(C=C1)C(=O)CC(O2)C1=CC=C(O)C=C1	InChI=1S/C17H16O5/c1-20-14-8-7-12-13(19)9-15(22-16(12)17(14)21-2)10-3-5-11(18)6-4-10/h3-8,15,18H,9H2,1-2H3
HMDB31426	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxycinnamoyl-(-&gt;2)-b-D-glucopyranosyl-(1-&gt;6)-[b-D-apiofuranosyl-(1-&gt;2)]-b-D-glucopyranoside]	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2OC2OCC(O)(CO)C2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O	InChI=1S/C43H48O24/c1-58-22-11-18(6-9-20(22)47)34-36(31(53)27-23(62-34)12-21(48)35(59-2)30(27)52)66-41-38(67-42-39(56)43(57,15-45)16-61-42)33(55)29(51)25(64-41)14-60-40-37(32(54)28(50)24(13-44)63-40)65-26(49)10-5-17-3-7-19(46)8-4-17/h3-12,24-25,28-29,32-33,37-42,44-48,50-52,54-57H,13-16H2,1-2H3/b10-5+
HMDB31427	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(-&gt;2)-b-D-glucopyranosyl-(1-&gt;6)-[b-D-apiofuranosyl-(1-&gt;2)]-b-D-glucopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OCC3OC(OC4=C(OC5=C(C(O)=C(OC)C(O)=C5)C4=O)C4=CC=C(O)C(OC)=C4)C(OC4OCC(O)(CO)C4O)C(O)C3O)OC(CO)C(O)C2O)=CC=C1O	InChI=1S/C44H50O25/c1-59-22-10-17(4-7-19(22)47)5-9-27(50)67-38-33(55)29(51)25(13-45)65-41(38)62-14-26-30(52)34(56)39(69-43-40(57)44(58,15-46)16-63-43)42(66-26)68-37-32(54)28-24(12-21(49)36(61-3)31(28)53)64-35(37)18-6-8-20(48)23(11-18)60-2/h4-12,25-26,29-30,33-34,38-43,45-49,51-53,55-58H,13-16H2,1-3H3/b9-5+
HMDB31424	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(-&gt;2)-b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OCC3OC(OC4=C(OC5=C(C(O)=C(OC)C(O)=C5)C4=O)C4=CC=C(O)C(OC)=C4)C(O)C(O)C3O)OC(CO)C(O)C2O)=CC=C1O	InChI=1S/C39H42O21/c1-52-20-10-15(4-7-17(20)41)5-9-25(44)59-37-32(50)27(45)23(13-40)57-39(37)55-14-24-28(46)31(49)33(51)38(58-24)60-36-30(48)26-22(12-19(43)35(54-3)29(26)47)56-34(36)16-6-8-18(42)21(11-16)53-2/h4-12,23-24,27-28,31-33,37-43,45-47,49-51H,13-14H2,1-3H3/b9-5+
HMDB31425	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[b-D-Apiofuranosyl-(1-&gt;2)[b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C1=C(OC2([H])OC([H])(C([H])([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])OC2([H])OC([H])([H])C(O[H])(C([H])([H])O[H])C2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C(OC([H])([H])[H])=C2O[H]	InChI=1S/C34H42O22/c1-48-14-5-11(3-4-12(14)37)26-28(22(42)18-15(52-26)6-13(38)27(49-2)21(18)41)55-32-29(56-33-30(46)34(47,9-36)10-51-33)24(44)20(40)17(54-32)8-50-31-25(45)23(43)19(39)16(7-35)53-31/h3-6,16-17,19-20,23-25,29-33,35-41,43-47H,7-10H2,1-2H3
HMDB31428	Farnisin	COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O1)C=C(O)C=C2	InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)19)15-8-12(18)11-4-3-10(17)7-16(11)21-15/h2-8,17,19H,1H3
HMDB31429	2,4-Dimethyl-3-pentanone	CC(C)C(=O)C(C)C	InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
HMDB38704	Macrocarpal B	CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C	InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3
HMDB38705	Macrocarpal C	CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C1C1C(CCC2=C)C1(C)C	InChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3
HMDB38706	Perilloside A	CC(=C)C1CCC(COC2OC(CO)C(O)C(O)C2O)=CC1	InChI=1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3
HMDB38707	Ganoderiol F	CC(CCC=C(CO)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3
HMDB38700	Peltatol B	CC(C)=CCC\C(C)=C/CCC(C)(C=C)C1=CC(OC2=CC(=CC(O)=C2O)C(C)(CC\C=C(\C)CCC=C(C)C)C=C)=C(O)C=C1	InChI=1S/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-36(43)38(28-34)46-39-29-35(27-37(44)40(39)45)42(10,12-2)26-16-22-33(8)20-14-18-31(5)6/h11-12,17-18,21-24,27-29,43-45H,1-2,13-16,19-20,25-26H2,3-10H3/b32-21-,33-22-
HMDB38701	Peltatol A	CC(C)=CCC\C(C)=C/CCC(C)(C=C)C1=CC(=C(O)C(O)=C1)C1=C(O)C(O)=CC(=C1)C(C)(CC\C=C(/C)CCC=C(C)C)C=C	InChI=1S/C42H58O4/c1-11-41(9,23-15-21-31(7)19-13-17-29(3)4)33-25-35(39(45)37(43)27-33)36-26-34(28-38(44)40(36)46)42(10,12-2)24-16-22-32(8)20-14-18-30(5)6/h11-12,17-18,21-22,25-28,43-46H,1-2,13-16,19-20,23-24H2,3-10H3/b31-21-,32-22+
HMDB35554	4,6-Hexacosanedione	CCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C26H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(28)24-25(27)22-4-2/h3-24H2,1-2H3
HMDB35555	10,12-Pentacosanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C25H48O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-25(27)23-24(26)21-19-17-15-10-8-6-4-2/h3-23H2,1-2H3
HMDB35558	4,6-Pentacosanedione	CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)23-24(26)21-4-2/h3-23H2,1-2H3
HMDB35559	10,12-Tetracosanedione	CCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C24H46O2/c1-3-5-7-9-11-12-13-15-17-19-21-24(26)22-23(25)20-18-16-14-10-8-6-4-2/h3-22H2,1-2H3
HMDB38708	Citrusin C	COC1=CC(CC=C)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3
HMDB38709	8,13-Abietadien-18-al	CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C=O)C1CC2	InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-14,18H,5-11H2,1-4H3
HMDB59249	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-56,58,63,66-67,70,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,57,59-62,64-65,68-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,70-66-/t85?,86-,87-/m1/s1
HMDB35088	Furfuryl thioacetate	CC(=O)SCC1=CC=CO1	InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
HMDB35089	(R)-Carvone	CC(=C)[C@@H]1CC=C(C)C(=O)C1	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
HMDB35080	Miltirone	CC(C)C1=CC2=C(C(=O)C1=O)C1=C(C=C2)C(C)(C)CCC1	InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
HMDB35081	(5alpha,10alpha)-3,7(11)-Eudesmadien-2-one	CC(C)=C1CCC2(C)CC(=O)C=C(C)C2C1	InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,14H,5-6,8-9H2,1-4H3
HMDB35082	(5beta,7beta,10beta)-3,11-Eudesmadien-2-one	CC(=C)C1CCC2(C)CC(=O)C=C(C)C2C1	InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,12,14H,1,5-6,8-9H2,2-4H3
HMDB35083	(3S,6E,10E)-1,6,10,14-Phytatetraen-3-ol	CC(C)=CCC\C(C)=C/CC\C(C)=C/CCC(C)(O)C=C	InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13-,19-15-
HMDB35084	(+)-1(10),4-Cadinadiene	[H][C@@]12C=C(C)CCC1=C(C)CC[C@H]2C(C)C	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
HMDB35085	Vulgarole	CC(=O)OC1C(O)C2CCC1(C)C2(C)C	InChI=1S/C12H20O3/c1-7(13)15-10-9(14)8-5-6-12(10,4)11(8,2)3/h8-10,14H,5-6H2,1-4H3
HMDB35086	Buntansin A	COC1=CC2=C(C=CC(=O)O2)C=C1C(O)=O	InChI=1S/C11H8O5/c1-15-9-5-8-6(2-3-10(12)16-8)4-7(9)11(13)14/h2-5H,1H3,(H,13,14)
HMDB35087	(-)-alpha-Carene	CC1=CC[C@H]2[C@@H](C1)C2(C)C	InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
HMDB02303	Dimethylsulfide	CSC	InChI=1S/C2H6S/c1-3-2/h1-2H3
HMDB02302	3-Indolepropionic acid	OC(=O)CCC1=CNC2=CC=CC=C12	InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
HMDB02305	5'-phosphoribosyl-a-N-formylglycineamidine	N\C(CNC=O)=N/C1OC(COP(O)(O)=O)C(O)C1O	InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)
HMDB02304	Leukotriene B4 ethanolamide	CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)NCCO	InChI=1S/C22H37NO4/c1-2-3-4-5-6-9-13-20(25)14-10-7-8-11-15-21(26)16-12-17-22(27)23-18-19-24/h6-11,14-15,20-21,24-26H,2-5,12-13,16-19H2,1H3,(H,23,27)/b8-7+,9-6-,14-10+,15-11-/t20-,21-/m1/s1
HMDB02307	Acrylyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)C=C	InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1
HMDB02306	Hydrochloric acid	Cl	InChI=1S/ClH/h1H
HMDB02308	Hydroxycobalamin	[Co++].O.OC[C@H]1O[C@@]([H])([C@H](O)[C@]1([H])OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N)N1C=NC2=C1C=C(C)C(C)=C2	InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
HMDB56115	DG(24:0/0:0/18:1n9)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25,43,46H,3-17,19-24,26-42H2,1-2H3/b25-18-
HMDB56114	DG(24:0/0:0/18:1n7)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16,43,46H,3-13,15,17-42H2,1-2H3/b16-14-
HMDB56117	DG(24:0/0:0/20:3n9)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,27,29,33,35,45,48H,3-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b20-18-,29-27-,35-33-
HMDB56116	DG(24:0/0:0/20:1n9)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,45,48H,3-17,19,21-44H2,1-2H3/b20-18-
HMDB56111	DG(24:0/0:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H100O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-47-49(52)48-56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49,52H,3-48H2,1-2H3
HMDB56110	DG(22:0/0:0/22:6n3)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-
HMDB56113	DG(24:0/0:0/16:1n7)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,41,44H,3-24,26,28-40H2,1-2H3/b27-25+
HMDB56112	DG(24:0/0:0/14:1n5)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h27,29,39,42H,3-26,28,30-38H2,1-2H3/b29-27+
HMDB56119	DG(24:0/0:0/24:1n9)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-47-49(52)48-56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,49,52H,3-16,18,20-48H2,1-2H3/b19-17-
HMDB56118	DG(24:0/0:0/22:1n9)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,47,50H,3-17,19,21-46H2,1-2H3/b20-18-
HMDB41983	phenothiazine	N1C2=CC=CC=C2SC2=CC=CC=C12	InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
HMDB41980	perchloroethylene	ClC(Cl)=C(Cl)Cl	InChI=1S/C2Cl4/c3-1(4)2(5)6
HMDB41986	pibutidine	[H]\C(CNC1=C(N)C(=O)C1=O)=C(/[H])COC1=NC=CC(CN2CCCCC2)=C1	InChI=1S/C19H24N4O3/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2/b5-2-
HMDB41984	pholcodine	[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])O	InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1
HMDB41985	phosalone	CCOP(=S)(OCC)SCN1C(=O)OC2=C1C=CC(Cl)=C2	InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
HMDB41988	pinazepam	ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1	InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2
HMDB41989	pipemidic acid	CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1	InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
HMDB59547	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,69-70,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB43903	TG(16:0/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,54H,4-15,17-18,20-24,27-53H2,1-3H3/b19-16-,26-25-
HMDB33868	beta-O-Methylynephrine	CNCC(OC)C1=CC=C(O)C=C1	InChI=1S/C10H15NO2/c1-11-7-10(13-2)8-3-5-9(12)6-4-8/h3-6,10-12H,7H2,1-2H3
HMDB33869	(3beta,4alpha,5alpha,23E)-4-Methylergosta-7,23-dien-3-ol	CC(C)C(\C)=C\CC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C	InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h8,10,18,20-21,23-27,30H,9,11-17H2,1-7H3/b19-8+
HMDB33860	8-Hydroxydaidzein	OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2O)C1=O	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
HMDB33861	3-Hydroxy-2,9-dimethoxypterocarpan	COC1=CC=C2C3COC4=CC(O)=C(OC)C=C4C3OC2=C1	InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-14-7-13(18)16(20-2)6-11(14)17(12)22-15(10)5-9/h3-7,12,17-18H,8H2,1-2H3
HMDB33862	3-(8,11,14-Pentadecatrienyl)phenol	OC1=CC(CCCCCCC\C=C\C\C=C\CC=C)=CC=C1	InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4+,8-7+
HMDB33864	Palmidin C	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC(C)=C2)C(=O)C2=C1C=C(O)C=C2O	InChI=1S/C30H22O7/c1-12-6-16-23(15-4-3-5-19(32)25(15)29(36)26(16)20(33)8-12)24-17-7-13(2)9-21(34)27(17)30(37)28-18(24)10-14(31)11-22(28)35/h3-11,23-24,31-35H,1-2H3
HMDB33865	Lotaustralin	CCC(C)(OC1OC(CO)C(O)C(O)C1O)C#N	InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3
HMDB33866	Fonsecin B	COC1=CC2=C(C(O)=C3C(=O)CC(C)(O)OC3=C2)C(OC)=C1	InChI=1S/C16H16O6/c1-16(19)7-10(17)14-12(22-16)5-8-4-9(20-2)6-11(21-3)13(8)15(14)18/h4-6,18-19H,7H2,1-3H3
HMDB33867	4-Isothiocyanato-1-butene	C=CCCN=C=S	InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2
HMDB08022	PC(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27,29,33,35,44H,6-13,15,18,22,25-26,28,30-32,34,36-43H2,1-5H3/b16-14-,19-17-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
HMDB08023	PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,18,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
HMDB08020	PC(16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,44H,6-13,15,18,22-43H2,1-5H3/b16-14-,19-17-,21-20-/t44-/m1/s1
HMDB08021	PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27,29,44H,6-13,15,18,22,25-26,28,30-43H2,1-5H3/b16-14-,19-17-,21-20-,24-23-,29-27-/t44-/m1/s1
HMDB08026	PC(16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h17,19-21,46H,6-16,18,22-45H2,1-5H3/b19-17-,21-20-/t46-/m1/s1
HMDB08027	PC(16:1(9Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,32,35,39H,6-16,18,20-31,33-34,36-38H2,1-5H3/b19-17-,35-32-
HMDB08024	PC(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27,29,44H,6-7,9,11-13,15,18,22,25-26,28,30-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,29-27-/t44-/m1/s1
HMDB08025	PC(16:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h17,19,46H,6-16,18,20-45H2,1-5H3/b19-17-/t46-/m1/s1
HMDB08028	PC(16:1(9Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h17,19,34,37,41H,6-16,18,20-33,35-36,38-40H2,1-5H3/b19-17-,37-34-
HMDB08029	PC(16:1(9Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16-19,34,37,41H,6-15,20-33,35-36,38-40H2,1-5H3/b18-16-,19-17-,37-34-
HMDB39893	(1R,2R,4S)-p-Menthane-1,2,8-triol	CC(C)(O)C1CCC(C)(O)C(O)C1	InChI=1S/C10H20O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h7-8,11-13H,4-6H2,1-3H3
HMDB39892	Cloversaponin I	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(=O)C1	InChI=1S/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43)
HMDB39891	4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid, 9CI; O-b-D-Glucopyranoside	CC(C)=CCC1=CC(=CC=C1OC1OC(CO)C(O)C(O)C1O)C(O)=O	InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)
HMDB39890	3,4',5,7-Tetrahydroxyflavan(4-&gt;8)-3,3',4',5,7-pentahydroxyflavan; (all-R)-form, 3,3'-Bis(3,4,5-trihydroxybenzoyl)	OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C44H34O19/c45-20-4-1-16(2-5-20)40-42(63-44(59)19-10-30(54)38(57)31(55)11-19)36(34-26(50)12-21(46)13-32(34)60-40)35-27(51)15-24(48)22-14-33(61-43(58)18-8-28(52)37(56)29(53)9-18)39(62-41(22)35)17-3-6-23(47)25(49)7-17/h1-13,15,33,36,39-40,42,45-57H,14H2
HMDB39897	Hydroxyhomodestruxin B	CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)CC)N(C)C1=O	InChI=1S/C31H53N5O8/c1-10-18(3)24-29(41)35(9)25(19(4)11-2)30(42)34(8)20(5)26(38)32-15-14-23(37)44-22(17-31(6,7)43)28(40)36-16-12-13-21(36)27(39)33-24/h18-22,24-25,43H,10-17H2,1-9H3,(H,32,38)(H,33,39)
HMDB39896	xi-8-Acetonyldihydrosanguinarine	CN1C(CC(C)=O)C2=C(C=CC3=C2OCO3)C2=C1C1=C(C=C2)C=C2OCOC2=C1	InChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3
HMDB39895	4-Mercaptobutyl glucosinolate	OCC1OC(S\C(CCCCS)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C11H21NO9S3/c13-5-6-8(14)9(15)10(16)11(20-6)23-7(3-1-2-4-22)12-21-24(17,18)19/h6,8-11,13-16,22H,1-5H2,(H,17,18,19)/b12-7+
HMDB39894	p-Menthane-1,2,8-triol; (1R,2R,4S)-form, 8-O-b-D-Glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(C)(O)C(O)C1	InChI=1S/C16H30O8/c1-15(2,8-4-5-16(3,22)10(18)6-8)24-14-13(21)12(20)11(19)9(7-17)23-14/h8-14,17-22H,4-7H2,1-3H3
HMDB39899	Betanidin; 15-Epimer, 5-O-[4-hydroxy-3-methoxy-E-cinnamoyl-(-&gt;3)-b-D-apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	COC1=CC(\C=C\C(=O)OC2(CO)COC(OC3C(O)C(O)C(CO)OC3OC3=C(O)C=C4C(CC(C([O-])=O)\[N+]4=C/C=C4\CC(NC(=C4)C(O)=O)C(O)=O)=C3)C2O)=CC=C1O	InChI=1S/C39H42N2O20/c1-56-26-10-17(2-4-24(26)44)3-5-29(46)61-39(15-43)16-57-38(33(39)49)60-32-31(48)30(47)28(14-42)59-37(32)58-27-12-19-11-23(36(54)55)41(22(19)13-25(27)45)7-6-18-8-20(34(50)51)40-21(9-18)35(52)53/h2-8,10,12-13,21,23,28,30-33,37-38,42-43,47-49H,9,11,14-16H2,1H3,(H5,44,45,46,50,51,52,53,54,55)
HMDB39898	Gomphrenin II	OC1C(O)C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(O)C=C3CC(C([O-])=O)\[N+](=C/C=C4\CC(NC(=C4)C(O)=O)C(O)=O)C3=C2)C1O	InChI=1S/C33H32N2O15/c36-18-4-1-15(2-5-18)3-6-26(38)48-14-25-27(39)28(40)29(41)33(50-25)49-24-13-21-17(12-23(24)37)11-22(32(46)47)35(21)8-7-16-9-19(30(42)43)34-20(10-16)31(44)45/h1-9,12-13,20,22,25,27-29,33,39-41H,10-11,14H2,(H5,36,37,38,42,43,44,45,46,47)
HMDB43822	TG(15:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,43,46,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-,46-43-
HMDB59546	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,11-12,15-20,24,29-31,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB45188	TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-26,28,30,32,35,41,44,56H,4-15,17-18,20-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,28-25-,30-26-,35-32-,44-41-
HMDB45189	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,58H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-
HMDB45186	TG(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,39,42,54H,4-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,42-39-
HMDB45187	TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,28,32,35,41,44,56H,4-15,17-18,21-22,24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,23-20-,28-25-,35-32-,44-41-
HMDB45184	TG(18:0/20:4(5Z,8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,38,41,47,50,62H,4-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,29-26-,41-38-,50-47-
HMDB45185	TG(18:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,37,40,52H,4-14,17,20-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,40-37-
HMDB45182	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,58H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,29-26-,37-34-,46-43-
HMDB45183	TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,60H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,29-26-,39-36-,48-45-
HMDB45180	TG(18:0/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,57H,4-15,17-18,20-24,26-27,29-31,33-34,36-56H2,1-3H3/b19-16-,28-25-,35-32-
HMDB45181	TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,56H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,28-25-,35-32-,44-41-
HMDB33138	2-Hydroxybenzoic acid, 9CI; O-[a-L-Rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside], Me ester	COC(=O)C1=CC=CC=C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H28O12/c1-8-12(21)14(23)16(25)19(30-8)29-7-11-13(22)15(24)17(26)20(32-11)31-10-6-4-3-5-9(10)18(27)28-2/h3-6,8,11-17,19-26H,7H2,1-2H3
HMDB33139	Sulfaquinoxaline	NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=C(C=CC=C2)N=C1	InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
HMDB33132	Myricetin 7-rhamnoside	CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(O)=C(O3)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O12/c1-6-14(25)17(28)19(30)21(31-6)32-8-4-9(22)13-12(5-8)33-20(18(29)16(13)27)7-2-10(23)15(26)11(24)3-7/h2-6,14,17,19,21-26,28-30H,1H3
HMDB33133	2-Acetylthiophene	CC(=O)C1=CC=CS1	InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
HMDB33130	2-Acetyl-5-methylthiophene	CC(=O)C1=CC=C(C)S1	InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
HMDB33131	3-Acetylpyridine	CC(=O)C1=CC=CN=C1	InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
HMDB33136	2-Amino-4-hydroxy-6-pteridinecarboxylic acid	NC1=NC2=C(N=C(C=N2)C(O)=O)C(=O)N1.NC1=NC2=C(N=C(C=N2)C(O)=O)C(O)=N1	InChI=1S/2C7H5N5O3/c2*8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2*1H,(H,14,15)(H3,8,9,11,12,13)
HMDB33137	2-Methoxycarbonylphenyl beta-D-glucopyranoside	COC(=O)C1=CC=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3
HMDB33134	3-Acetylthiophene	CC(=O)C1=CSC=C1	InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
HMDB33135	Pyrimethanil	CC1=CC(C)=NC(NC2=CC=CC=C2)=N1	InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
HMDB43860	TG(16:0/15:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB52574	TG(18:2(9Z,12Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-35,39,42,48,51,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,42-39-,51-48-
HMDB59245	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,36-38,41-45,49-50,52-53,60,64,82-84,89H,5-9,11-13,15-20,23-24,29-30,35,39-40,46-48,51,54-59,61-63,65-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-,64-60-/t82?,83-,84-/m1/s1
HMDB46989	TG(22:0/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-
HMDB46988	TG(22:0/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h26,29,35,38,44,47,61H,4-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b29-26-,38-35-,47-44-
HMDB46983	TG(22:0/o-18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,55H,4-14,16-17,19-54H2,1-3H3/b18-15-
HMDB46982	TG(22:0/o-18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C67H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h65H,4-64H2,1-3H3
HMDB46981	TG(22:0/o-18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
HMDB46980	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,41,44,50,53,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,44-41-,53-50-
HMDB46987	TG(22:0/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h26,29,61H,4-25,27-28,30-60H2,1-3H3/b29-26-
HMDB46986	TG(22:0/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h27,33,59H,4-26,28-32,34-58H2,1-3H3/b33-27-
HMDB46985	TG(22:0/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-
HMDB46984	TG(22:0/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-
HMDB09049	PE(18:1(11Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36,40H,3-13,15,17-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b16-14-,36-33-/t40-/m1/s1
HMDB09048	PE(18:1(11Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1
HMDB09043	PE(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,43H,3-10,12,15,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1
HMDB09042	PE(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,43H,3-10,12,15,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,22-21-,28-26-/t43-/m1/s1
HMDB09041	PE(18:1(11Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,43H,3-10,12,15,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-/t43-/m1/s1
HMDB09040	PE(18:1(11Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,43H,3-13,15,18,20-42,46H2,1-2H3,(H,49,50)/b16-14-,19-17-/t43-/m1/s1
HMDB09047	PE(18:1(11Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,45H,3-13,15,18,20-44,48H2,1-2H3,(H,51,52)/b16-14-,19-17-/t45-/m1/s1
HMDB09046	PE(18:1(11Z)/24:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16,45H,3-13,15,17-44,48H2,1-2H3,(H,51,52)/b16-14-/t45-/m1/s1
HMDB09045	PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,43H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1
HMDB09044	PE(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,43H,3-4,6,8-10,12,15,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-/t43-/m1/s1
HMDB37936	3,3',4',5,7-Pentahydroxyflavone; 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	CC1OC(OC2C(O)C(O)C(COC3OC(CO)C(O)C(O)C3O)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3
HMDB37937	3,3',4',5,7-Pentahydroxyflavone; 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	OCC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C(O)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-8-17-21(42)25(46)30(55-32-27(48)24(45)20(41)16(7-35)52-32)33(53-17)54-29-22(43)18-13(39)4-10(36)5-14(18)50-28(29)9-1-2-11(37)12(38)3-9/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2
HMDB37934	Quercetin 7-rutinoside	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C(O)=C(OC4=C3)C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3
HMDB37935	Multinoside A	CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3
HMDB37932	3,3',4',5,7-Pentahydroxyflavone; 4'-O-b-D-Glucopyranoside	OC[C@H]1O[C@@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
HMDB37933	Calendoflavobioside	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3
HMDB37930	Tragopogonsaponin N	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C62H90O26/c1-57(2)20-21-62(30(22-57)29-13-14-35-59(5)18-17-37(84-54-47(76)43(72)44(73)49(87-54)51(77)78)58(3,4)34(59)16-19-60(35,6)61(29,7)23-36(62)66)56(79)88-55-50(48(31(65)26-80-55)86-53-46(75)42(71)40(69)33(25-64)83-53)85-38(67)15-10-27-8-11-28(12-9-27)81-52-45(74)41(70)39(68)32(24-63)82-52/h8-13,15,30-37,39-50,52-55,63-66,68-76H,14,16-26H2,1-7H3,(H,77,78)/b15-10+
HMDB37931	Tragopogonsaponin O	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C62H92O26/c1-57(2)20-21-62(30(22-57)29-13-14-35-59(5)18-17-37(84-54-47(76)43(72)44(73)49(87-54)51(77)78)58(3,4)34(59)16-19-60(35,6)61(29,7)23-36(62)66)56(79)88-55-50(48(31(65)26-80-55)86-53-46(75)42(71)40(69)33(25-64)83-53)85-38(67)15-10-27-8-11-28(12-9-27)81-52-45(74)41(70)39(68)32(24-63)82-52/h8-9,11-13,30-37,39-50,52-55,63-66,68-76H,10,14-26H2,1-7H3,(H,77,78)
HMDB45722	TG(20:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,32,57H,4-19,22,25-28,30-31,33-56H2,1-3H3/b23-20-,24-21-,32-29-
HMDB45723	TG(20:0/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,30,36,39,56H,4-16,18-19,22-23,25,27-29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,30-26-,39-36-
HMDB45720	TG(20:0/18:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,60H,4-20,22-23,26-27,29-59H2,1-3H3/b24-21-,28-25-
HMDB45721	TG(20:0/18:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-
HMDB45726	TG(20:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,33,35,41,44,58H,4-15,17-18,20,22-23,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,24-21-,28-25-,35-33-,44-41-
HMDB45727	TG(20:0/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,60H,4-15,17-18,20,22-23,26-27,29-59H2,1-3H3/b19-16-,24-21-,28-25-
HMDB37938	3,3',4',5,7-Pentahydroxyflavone; 3-O-[4-Hydroxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C42H46O24/c43-12-23-29(52)34(57)39(41(61-23)64-37-31(54)27-21(49)10-18(46)11-22(27)60-36(37)16-4-7-19(47)20(48)9-16)66-42-38(33(56)28(51)24(13-44)62-42)65-40-35(58)32(55)30(53)25(63-40)14-59-26(50)8-3-15-1-5-17(45)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+
HMDB37939	Tragopogonsaponin Q	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C56H82O20/c1-51(2)20-21-56(30(22-51)29-13-14-35-53(5)18-17-36(60)52(3,4)34(53)16-19-54(35,6)55(29,7)23-37(56)61)50(69)76-49-46(45(31(59)26-70-49)75-48-44(68)42(66)40(64)33(25-58)73-48)74-38(62)15-10-27-8-11-28(12-9-27)71-47-43(67)41(65)39(63)32(24-57)72-47/h8-13,15,30-37,39-49,57-61,63-68H,14,16-26H2,1-7H3/b15-10+
HMDB13448	PC(o-22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,29,31,35,37,49H,6-14,16,18-20,22,24-28,30,32-34,36,38-48H2,1-5H3/b17-15-,23-21-,31-29-,37-35-/t49-/m1/s1
HMDB13449	PC(o-22:0/22:3(10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,51H,6-14,16,18-20,22,24-26,28,30-50H2,1-5H3/b17-15-,23-21-,29-27-/t51-/m1/s1
HMDB36049	Marasmone	CC1(C)C(O)CC(=O)C23C4C(OCC4=CCC12)OC3=O	InChI=1S/C15H18O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8-9,11-12,16H,4-6H2,1-2H3
HMDB36048	Artemisia alcohol acetate	CC(C)=CC(OC(C)=O)C(C)(C)C=C	InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3
HMDB45752	TG(20:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32-33,35,41,44,58H,4-15,17-18,20-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,32-27-,35-33-,44-41-
HMDB36045	O-Formyloreadone	CC1(C)CCC(=O)C2C3C(OC=O)OCC3=CCC12	InChI=1S/C15H20O4/c1-15(2)6-5-11(17)13-10(15)4-3-9-7-18-14(12(9)13)19-8-16/h3,8,10,12-14H,4-7H2,1-2H3
HMDB36044	Marmelo oxide A	CC1COC(C1)\C=C/C(C)=C	InChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3/b5-4-
HMDB13442	PC(o-20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,33,35,47H,6-14,16,18-20,22,24-26,28,30-32,34,36-46H2,1-5H3/b17-15-,23-21-,29-27-,35-33-/t47-/m1/s1
HMDB13443	PC(o-20:0/22:0)	[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C50H102NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/t49-/m1/s1
HMDB13444	PC(o-20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,47H,6-14,16,18-19,24-26,28,30-32,34,36-46H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-/t47-/m1/s1
HMDB13445	PC(o-22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h15,17,21,27,31,33,47H,6-14,16,18-20,22-26,28-30,32,34-46H2,1-5H3/b17-15-,27-21-,33-31-/t47-/m1/s1
HMDB13446	PC(o-22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,27,47H,6-8,10,12-14,16,18-20,22-26,28-46H2,1-5H3/b11-9-,17-15-,27-21-/t47-/m1/s1
HMDB13447	PC(o-22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h21,23,49H,6-20,22,24-48H2,1-5H3/b23-21-/t49-/m1/s1
HMDB59257	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,42-43,45-46,50-52,54-56,62-64,66-68,85-87,92H,5-20,24,29-31,36,40-41,44,47-49,53,57-61,65,69-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB45750	TG(20:0/18:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,31,57H,4-13,15-16,18-22,24-25,28-30,32-56H2,1-3H3/b17-14-,26-23-,31-27-
HMDB59256	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-39,42-45,47,50-51,54-55,62-63,66-67,84-86,91H,5-20,23-24,29-30,35-36,40-41,46,48-49,52-53,56-61,64-65,68-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-,66-62-,67-63-/t84?,85-,86-/m1/s1
HMDB45757	TG(20:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-25,28-29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,30-26-,31-27-,39-36-
HMDB59255	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-44,46,49-50,53-54,61-62,65-66,83-85,90H,5-20,23-24,28-30,32,35,39-40,45,47-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB45756	TG(20:0/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,30-31,56H,4-7,9-10,12-16,18-19,21-25,28-29,32-55H2,1-3H3/b11-8-,20-17-,30-26-,31-27-
HMDB59254	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,41-44,49-50,53-54,61-62,65-66,83-85,90H,5-20,23-24,29-30,35-36,39-40,45-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-,66-62-/t84-,85-/m1/s1
HMDB45755	TG(20:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,41-38-,50-47-
HMDB59253	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB45754	TG(20:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31,33-34,38,41,60H,4-15,17-18,20-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,33-31-,34-27-,41-38-
HMDB59252	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-56,58,63-64,67-68,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,57,59-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB59251	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-9,11-13,15-20,24,29-31,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59250	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,39-42,47-50,57-58,61-62,79-81,86H,5-8,10-12,14-20,23-24,29-30,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t79?,80-,81-/m1/s1
HMDB49570	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30,34,37,54H,4-6,8,11,13-15,17,22,24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-
HMDB48453	TG(16:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,35,38,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-,38-35-
HMDB48452	TG(16:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-
HMDB48451	TG(16:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,31,33,49H,4-6,8-9,11-15,17-18,21-22,24,27-30,32,34-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,33-31-
HMDB48450	TG(16:1(9Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,49H,4-6,8-9,11-15,17-18,21-22,24,27-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-
HMDB59259	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,69-70,87-89,94H,5-10,12-14,16-20,24,29-31,36,40-42,49-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB48457	TG(16:1(9Z)/16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-
HMDB59258	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-20,24,29-31,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB48456	TG(16:1(9Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H100O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(57-52(54)46-43-40-37-34-30-24-21-18-15-12-9-6-3)49-56-51(53)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB43661	TG(15:0/18:4(6Z,9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,39,42,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-38,40-41,43-56H2,1-3H3/b11-8-,20-17-,33-26-,42-39-
HMDB48455	TG(16:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,35,40,43,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33-34,36-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-32-,43-40-
HMDB43660	TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,37,40,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-36,38-39,41-54H2,1-3H3/b11-8-,20-17-,31-26-,40-37-
HMDB48454	TG(16:1(9Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,35,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33-34,36-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-32-
HMDB43663	TG(15:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,31,34,49H,4-6,8-9,11-15,17-18,21-22,24,27-30,32-33,35-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,34-31-
HMDB43662	TG(15:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H86O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,32,47H,4-6,8-9,11-14,17,20-23,26-28,30-31,33-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,32-29-
HMDB43665	TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,51H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-50H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-
HMDB48459	TG(16:1(9Z)/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,25-26,50H,4-19,21-22,24,27-49H2,1-3H3/b23-20-,26-25-
HMDB43664	TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28,33,36,51H,4-7,9-10,12-16,18,21,23-25,27,29-32,34-35,37-50H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,36-33-
HMDB43070	TG(15:0/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,32,35,51H,4-6,8-9,11-15,17-18,20-24,26,28-31,33-34,36-50H2,1-3H3/b10-7-,19-16-,27-25-,35-32-
HMDB43071	TG(15:0/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-52H2,1-3H3/b10-7-,19-16-,27-25-,31-30-
HMDB43072	TG(15:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,37,40,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,40-37-
HMDB43073	TG(15:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,36-33-
HMDB43074	TG(15:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,33,36,42,45,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,36-33-,45-42-
HMDB43075	TG(15:0/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C54H106O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB43076	TG(15:0/20:0/15:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h50H,4-49H2,1-3H3
HMDB43077	TG(15:0/20:0/16:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB43078	TG(15:0/20:0/18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB43079	TG(15:0/20:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB43666	TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,35,38,53H,4-7,9-10,12-16,18-19,21-24,28,30-34,36-37,39-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,38-35-
HMDB47760	TG(14:1(9Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,51H,4-14,17,20-23,26-50H2,1-3H3/b18-15-,19-16-,25-24-
HMDB43669	TG(15:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,39,42,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-38,40-41,43-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,42-39-
HMDB47762	TG(14:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,38,41,51H,4-14,17,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-,41-38-
HMDB47763	TG(14:1(9Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,47H,4-6,8-9,11-14,17,20-23,26-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-
HMDB47764	TG(14:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H86O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,31,47H,4-6,8-9,11-14,17,20-23,26-28,30,32-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,31-29-
HMDB47765	TG(14:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,49H,4-6,8-9,11-14,17,20-23,26,29-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-
HMDB47766	TG(14:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,33,36,49H,4-6,8-9,11-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,36-33-
HMDB43668	TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,37,40,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-36,38-39,41-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,40-37-
HMDB47768	TG(14:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,38,41,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-,41-38-
HMDB47769	TG(14:1(9Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C50H96O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(47-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-
HMDB55037	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,39-40,42-44,47-49,51-52,62H,4-15,22-24,30-31,37-38,41,45-46,50,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-,52-49-
HMDB44819	TG(18:0/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,60H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,29-26-,38-35-,47-44-
HMDB55036	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-34,37,40,46,49,60H,4-15,17-18,21-22,24,26-27,30-31,35-36,38-39,41-45,47-48,50-59H2,1-3H3/b19-16-,23-20-,28-25-,33-32-,34-29-,40-37-,49-46-
HMDB44818	TG(18:0/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,60H,4-16,18-19,21-25,27-28,30-34,36-37,39-59H2,1-3H3/b20-17-,29-26-,38-35-
HMDB55035	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,40-41,43-44,49-50,52-53,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-39,42,45-48,51,54-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,43-40-,44-41-,52-49-,53-50-
HMDB44817	TG(18:0/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,59H,4-13,15-16,18-22,24-25,27-58H2,1-3H3/b17-14-,26-23-
HMDB55034	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,40-41,43-44,50,53,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-39,42,45-49,51-52,54-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,43-40-,44-41-,53-50-
HMDB44816	TG(18:0/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,26,32,38,41,58H,4-16,18-19,21-25,27-31,33-37,39-40,42-57H2,1-3H3/b20-17-,32-26-,41-38-
HMDB55033	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-36,38-39,42,44,47-48,51,61H,4-7,9-10,12-15,18,22-23,27,31,33,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,47-44-,51-48-
HMDB44815	TG(18:0/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20,23,29,34,59H,4-19,21-22,24-28,30-33,35-58H2,1-3H3/b23-20-,34-29-
HMDB55032	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-36,38-39,42,48,51,61H,4-7,9-10,12-15,18,22-23,27,31,33,37,40-41,43-47,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,51-48-
HMDB44814	TG(18:0/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-
HMDB55031	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,37,39-40,42,46,49,59H,4-8,10-11,13-15,17,22,24,26,30,35-36,38,41,43-45,47-48,50-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,42-39-,49-46-
HMDB44813	TG(18:0/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-
HMDB52022	TG(24:1(15Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,40,66H,4-8,10-11,13-17,19-20,22-24,26,29-39,41-65H2,1-3H3/b12-9-,21-18-,28-25-,40-27-
HMDB35446	Methyl rosmarinate	COC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(O)=C(O)C=C1	InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4-
HMDB44812	TG(18:0/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,35,38,44,47,60H,4-25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b29-26-,38-35-,47-44-
HMDB44811	TG(18:0/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,60H,4-25,27-28,30-59H2,1-3H3/b29-26-
HMDB44810	TG(18:0/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h26,32,58H,4-25,27-31,33-57H2,1-3H3/b32-26-
HMDB34359	Myricetin 3'-glucoside	OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)C(O)C(O)C1O	InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2
HMDB34358	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-b-D-Galactopyranoside	OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1
HMDB34357	beta-Solamarine	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1	InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-41-37(54)35(52)38(29(18-47)58-41)59-42-39(34(51)32(49)22(4)56-42)60-40-36(53)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3
HMDB34356	alpha-Solamarine	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC11CCC(C)CN1	InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(55)38(33(51)29(18-48)58-41)60-42-39(35(53)32(50)28(17-47)59-42)61-40-36(54)34(52)31(49)21(3)56-40/h6,19-21,23-42,46-55H,7-18H2,1-5H3
HMDB34355	5-Hydroxymethyl-2-furancarboxaldehyde	OCC1=CC=C(O1)C=O	InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
HMDB34354	Tocophersolan	CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(=O)CCC(=O)OCCO)=C(C)C(C)=C2O1	InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3
HMDB34353	Physalin D	CC12OC(=O)C3(O)CCC4C(CC(O)C5(O)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3
HMDB34352	Morellinol	CC(C)=CCC1=C2OC34C5CC(C=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C(=O)C4(C\C=C(\C)CO)OC5(C)C	InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10-
HMDB34351	Ginsenoside III	CC(=C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C48H80O19/c1-21(2)23(52)10-16-48(8,67-42-39(61)36(58)33(55)26(19-50)63-42)22-9-14-47(7)31(22)24(53)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(59)34(56)27(20-51)64-43)66-41-38(60)35(57)32(54)25(18-49)62-41/h22,24-43,49-51,53-61H,1,9-20H2,2-8H3
HMDB34350	Norbadione A	OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC2=C3C(OC(=O)C3=C1)=C(O)C=C2C1=C(O)\C(OC1=O)=C(\C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1	InChI=1S/C35H18O15/c36-15-5-1-12(2-6-15)22(31(41)42)29-26(39)21(34(46)49-29)14-9-17-18(11-20(38)28-24(17)19(10-14)33(45)48-28)25-27(40)30(50-35(25)47)23(32(43)44)13-3-7-16(37)8-4-13/h1-11,36-40H,(H,41,42)(H,43,44)/b29-22-,30-23-
HMDB59543	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,49-50,53-54,61-62,65-66,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB55414	TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30-32,36,38-39,41,58H,4-6,9,12-15,18,22-23,27,29,33-35,37,40,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-
HMDB15060	Cyclobenzaprine	CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12	InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
HMDB15061	Phenoxybenzamine	CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1	InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
HMDB15063	Azacitidine	NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
HMDB15064	Misoprostol	CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC	InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1
HMDB15066	Methacycline	CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O	InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,13-15,17,25,27,29,32H,1H2,2-3H3,(H2,23,31)/t10-,13?,14-,15+,17+,22+/m1/s1
HMDB15067	Tipranavir	CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C(O)O1	InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36,38H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
HMDB15068	Mesoridazine	CN1CCCCC1CCN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(C)=O	InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
HMDB15069	Maprotiline	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21	InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
HMDB46771	TG(22:0/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,66H,4-15,17,20,22-24,26,29,31-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-
HMDB42848	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,26-27,33,36,48H,4-6,8-9,11-13,15,18,20-22,25,28-32,34-35,37-47H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,36-33-
HMDB42849	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,35,38,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-,38-35-
HMDB57764	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,42-47,52-54,56-58,65-66,69-70,85-87,92H,5-8,10-12,14-20,24,29-31,39-41,48-51,55,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB42842	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,34,37,49H,4-6,8-9,11-15,17-18,20-23,26,29-33,35-36,38-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,37-34-
HMDB42843	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,35,38,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-,38-35-
HMDB42840	TG(14:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-
HMDB42841	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,16,19,23-24,26-27,33,36,48H,4-6,8-9,11-15,17-18,20-22,25,28-32,34-35,37-47H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,36-33-
HMDB42846	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,33,35,41,44,56H,4-7,9-10,12-16,18-19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,27-25-,35-33-,44-41-
HMDB42847	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,35,37,43,46,58H,4-7,9-10,12-16,18-19,21-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,27-25-,37-35-,46-43-
HMDB42844	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,37,40,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,40-37-
HMDB42845	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31,33,39,42,54H,4-7,9-10,12-16,18-19,21-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,20-17-,27-25-,33-31-,42-39-
HMDB05014	Celecoxib	CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
HMDB05015	Gabapentin	NCC1(CC(O)=O)CCCCC1	InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
HMDB05016	Venlafaxine	COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1	InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
HMDB05017	Pantoprazole	COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1	InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
HMDB05010	Sertraline	CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12	InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
HMDB05011	Clopidogrel	COC(=O)[C@@H](N1CCC2=C(C1)C=CS2)C1=CC=CC=C1Cl	InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
HMDB05012	Olanzapine	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2	InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
HMDB48803	TG(16:1(9Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20-22,24-26,28,34,37,53H,4-7,9-10,12,14-15,18-19,23,27,29-33,35-36,38-52H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,28-26-,37-34-
HMDB05018	Amlodipine	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC	InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
HMDB48809	TG(16:1(9Z)/20:3n6/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h16,19-21,23-26,28,31,52H,4-15,17-18,22,27,29-30,32-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-
HMDB57763	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,63-64,68,83-85,90H,5-8,10-12,14-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-62,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB57762	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,36-38,41-45,49,51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,29-30,35,39-40,46-48,50,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB29919	Maltulose	OCC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(=O)CO.OCC1OC(OC2COC(O)(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/2C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)23-5-2-21-12(20,3-14)10(19)7(5)16;13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h4-11,13-20H,1-3H2;5-15,17-21H,1-3H2
HMDB29918	Arabinofuranobiose	OCC1OC(OC2C(O)C(O)OC2CO)C(O)C1O	InChI=1S/C10H18O9/c11-1-3-5(13)6(14)10(18-3)19-8-4(2-12)17-9(16)7(8)15/h3-16H,1-2H2
HMDB29917	2-O-a-D-Glucopyranuronosyl-D-xylose, 9CI, 8CI; 4'-Me	COC1C(O)C(O)C(OC(C=O)C(O)C(O)CO)OC1C(O)=O.COC1C(O)C(O)C(OC2C(O)OC(CO)C2O)OC1C(O)=O.COC1C(O)C(O)C(OC2C(O)OCC(O)C2O)OC1C(O)=O	InChI=1S/3C12H20O11/c1-20-7-5(15)6(16)12(23-9(7)10(17)18)22-8-4(14)3(13)2-21-11(8)19;1-20-7-5(15)6(16)12(23-9(7)10(17)18)22-8-4(14)3(2-13)21-11(8)19;1-21-9-7(17)8(18)12(23-10(9)11(19)20)22-5(3-14)6(16)4(15)2-13/h2*3-9,11-16,19H,2H2,1H3,(H,17,18);3-10,12-13,15-18H,2H2,1H3,(H,19,20)
HMDB29916	4-O-Methyl-myo-inositol	CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6-,7-/m1/s1
HMDB29915	D-4-O-Methyl-myo-inositol	CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6-,7-/m0/s1
HMDB29914	Tetraphyllin B	OCC1OC(OC2(CC(O)C=C2)C#N)C(O)C(O)C1O	InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2
HMDB29913	Gynocardin	OCC1OC(OC2(C=CC(O)C2O)C#N)C(O)C(O)C1O	InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2
HMDB29911	1-O-alpha-D-Glucopyranosyl-D-mannitol	OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2
HMDB29910	Gentiotriose	OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2
HMDB10153	PIP3(18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h18,20,37,40-45,48-49H,3-17,19,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b20-18-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
HMDB10152	PIP3(18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H88O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h14,16,37,40-45,48-49H,3-13,15,17-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b16-14-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
HMDB10151	PIP3(18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H84O22P4/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)59-33-35(61-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h14,16,35,38-43,46-47H,3-13,15,17-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/b16-14-/t35-,38?,39?,40-,41+,42?,43?/m1/s1
HMDB10150	PIP3(16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84O22P4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)61-35(33-59-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h17-18,35,38-43,46-47H,3-16,19-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/b18-17-/t35-,38?,39?,40-,41+,42?,43?/m1/s1
HMDB10157	PIP3(18:1(11Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h11,13-14,16-17,19,22,24,39,42-47,50-51H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43?,44-,45+,46?,47?/m1/s1
HMDB10156	PIP3(18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h14,16-17,19,22,24,28,30,39,42-47,50-51H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44-,45+,46?,47?/m1/s1
HMDB10155	PIP3(18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h13,15,18,20,37,40-45,48-49H,3-12,14,16-17,19,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b15-13-,20-18-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
HMDB10154	PIP3(18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h13-16,37,40-45,48-49H,3-12,17-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b15-13-,16-14-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
HMDB10159	PIP3(18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h17-20,37,40-45,48-49H,3-16,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b19-17-,20-18-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
HMDB10158	PIP3(18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h14,16-17,19,37,40-45,48-49H,3-13,15,18,20-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b16-14-,19-17-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
HMDB29723	Saccharin	O=C1NS(=O)(=O)C2=C1C=CC=C2	InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
HMDB58088	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,40,42,44,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB06095	3-Methylsulfinylpropyl isothiocyanate	CS(=O)CCCN=C=S	InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
HMDB04826	p-Synephrine	CNCC(O)C1=CC=C(O)C=C1	InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
HMDB04827	Proline betaine	C[N+]1(C)CCC[C@H]1C([O-])=O	InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
HMDB04824	N2,N2-Dimethylguanosine	CN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1
HMDB04825	p-Octopamine	NC[C@H](O)C1=CC=C(O)C=C1	InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
HMDB04822	Methyl bisnorbiotinyl ketone	[H][C@]12CS[C@@H](CCC(C)=O)[C@@]1([H])NC(=O)N2	InChI=1S/C9H14N2O2S/c1-5(12)2-3-7-8-6(4-14-7)10-9(13)11-8/h6-8H,2-4H2,1H3,(H2,10,11,13)/t6-,7-,8-/m0/s1
HMDB04823	Lanthionine ketimine	OC(=O)C1CSCC(=N1)C(O)=O	InChI=1S/C6H7NO4S/c8-5(9)3-1-12-2-4(7-3)6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
HMDB04821	Bisnorbiotin	[H][C@]12CS[C@@H](CCC(O)=O)[C@@]1([H])NC(=O)N2	InChI=1S/C8H12N2O3S/c11-6(12)2-1-5-7-4(3-14-5)9-8(13)10-7/h4-5,7H,1-3H2,(H,11,12)(H2,9,10,13)/t4-,5-,7-/m0/s1
HMDB59541	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB55418	TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-32,34,36,39,56H,4-6,9,12-15,18,21-24,29,33,35,37-38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-
HMDB14686	Adinazolam	CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12	InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
HMDB07328	DG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H58O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,20-21,33,36H,3-4,6,8-9,14-15,18-19,22-32H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,21-20-/t33-/m0/s1
HMDB07329	DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21-22,34,37H,3-4,6,8-10,12,14-16,19-20,23-33H2,1-2H3/b7-5-,13-11-,18-17-,22-21-/t34-/m0/s1
HMDB07324	DG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,41,44H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1
HMDB07325	DG(18:3(9Z,12Z,15Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,43,46H,3-5,7,9-11,13,15-17,19-24,26-42H2,1-2H3/b8-6-,14-12-,25-18-/t43-/m0/s1
HMDB07326	DG(18:3(9Z,12Z,15Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,43,46H,3-5,7,9-11,13,15-16,20-24,26-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-/t43-/m0/s1
HMDB07327	DG(18:4(6Z,9Z,12Z,15Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20-21,33,36H,3-4,6,8-10,12,14-15,18-19,22-32H2,1-2H3/b7-5-,13-11-,17-16-,21-20-/t33-/m0/s1
HMDB07320	DG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,41,44H,3-5,7,9-10,15-16,20-22,24-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-/t41-/m0/s1
HMDB07321	DG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,41,44H,3-5,7,9-10,15-16,20,24-25,27,29-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1
HMDB07322	DG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,41,44H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1
HMDB07323	DG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,41,44H,3-4,9-10,15-16,20,24-25,27,29-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1
HMDB53185	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,32-33,38,40-41,43,58H,4-8,10-11,13-15,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-
HMDB53184	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-32,34,36,38-41,43,56H,4-8,10-11,13-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB53187	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-33,36,38-41,43,45,48,58H,4-8,10-11,13-15,22-24,29,34-35,37,42,44,46-47,49-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-,48-45-
HMDB53186	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-33,36,38-41,43,58H,4-8,10-11,13-15,22-24,29,34-35,37,42,44-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-
HMDB53181	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,54H,4-8,10-11,13-15,22-24,31-33,40-53H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB45507	TG(20:0/15:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB53183	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-28,30-32,34,36,38-39,41,56H,4-8,10-11,13-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-
HMDB53182	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16-18,20-22,25-27,29-30,35,37-38,40,55H,4-8,10-11,14-15,19,23-24,28,31-34,36,39,41-54H2,1-3H3/b12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-,40-37-
HMDB53189	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,54H,4-6,8,11,13-15,22-24,31-33,40-53H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB53188	TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,35-36,38-39,54H,4-6,8,11,13-15,22-24,31-34,37,40-53H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,39-36-
HMDB56359	DG(22:5n6/0:0/22:5n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,45,48H,3-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-
HMDB56358	DG(22:4n6/0:0/22:6n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35,37,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-
HMDB12576	13E-Tetranor-16-oxo-16-CoA-LTE4	O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/C=C/CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C40H61N8O22P3S2/c1-40(2,21-67-73(64,65)70-72(62,63)66-19-26-33(69-71(59,60)61)32(54)38(68-26)48-23-47-31-35(42)45-22-46-36(31)48)34(55)37(56)44-16-15-28(50)43-17-18-74-30(53)14-9-7-5-3-4-6-8-12-27(75-20-24(41)39(57)58)25(49)11-10-13-29(51)52/h3-9,12,22-27,32-34,38,49,54-55H,10-11,13-21,41H2,1-2H3,(H,43,50)(H,44,56)(H,51,52)(H,57,58)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-4/b5-3-,6-4+,9-7+,12-8+/t24-,25+,26-,27-,32+,33+,34?,38-/m1/s1
HMDB12575	13E-Tetranor-16-carboxy-LTE4	N[C@H](CS[C@H](\C=C\C=C\C=C/C=C/CC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O	InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5+,10-6+/t14-,15+,16-/m1/s1
HMDB53459	TG(20:2n6/18:2(9Z,12Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,21-26,30,33,57H,4-12,15,18-20,27-29,31-32,34-56H2,1-3H3/b16-13-,17-14-,24-21-,25-22-,26-23-,33-30-
HMDB53458	TG(20:2n6/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-40-43-46-49-52-55-58-64(66)69-62(60-67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)61-68-63(65)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,62H,4-13,15-16,18-22,24,27,29-61H2,1-3H3/b17-14-,26-23-,28-25-
HMDB53453	TG(20:2n6/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,35,41,44,61H,4-8,10-11,13,15-16,19-20,22,24,29-34,36-40,42-43,45-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,35-27-,44-41-
HMDB53452	TG(20:2n6/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,35,61H,4-8,10-11,13,15-16,19-20,22,24,29-34,36-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,35-27-
HMDB53451	TG(20:2n6/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,35,37,43,46,52,55,65H,4-14,16,19,21-23,30-34,36,38-42,44-45,47-51,53-54,56-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,37-35-,46-43-,55-52-
HMDB53450	TG(20:2n6/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,35,37,43,46,65H,4-14,16,19,21-23,30-34,36,38-42,44-45,47-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,37-35-,46-43-
HMDB53457	TG(20:2n6/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,35,37,43,46,52,55,65H,4-7,9-10,12-14,16,19,21-23,30-34,36,38-42,44-45,47-51,53-54,56-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,37-35-,46-43-,55-52-
HMDB53456	TG(20:2n6/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,35,37,43,46,65H,4-7,9-10,12-14,16,19,21-23,30-34,36,38-42,44-45,47-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,37-35-,46-43-
HMDB53455	TG(20:2n6/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,38,41,47,50,63H,4-7,9-10,12-14,16,19,21-23,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,41-38-,50-47-
HMDB53454	TG(20:2n6/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,38,41,63H,4-7,9-10,12-14,16,19,21-23,30-37,39-40,42-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,41-38-
HMDB57612	CL(16:1(9Z)/18:1(9Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34,37,73-75,80H,5-24,26-27,30-31,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB50193	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-33,36,39-40,43,45,48,58H,4-8,10-11,13-15,17,20,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-
HMDB50192	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-33,36,39-40,43,58H,4-8,10-11,13-15,17,20,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-
HMDB50191	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,32-33,40,43,58H,4-8,10-11,13-15,17,20,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-26-,33-27-,43-40-
HMDB50190	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-32,34,38,40-41,43,56H,4-8,10-11,13-15,17,20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB50197	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-32,34,38,40-41,43,56H,4-6,8,11,13-15,17,20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB50196	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-32,34,38,41,56H,4-6,8,11,13-15,17,20,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-
HMDB50195	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,54H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB50194	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,36,39,54H,4-6,8,11,13-15,17,20,22-24,31-35,37-38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-
HMDB50199	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-33,36,39-40,43,45,48,58H,4-6,8,11,13-15,17,20,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-
HMDB50198	TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-33,36,39-40,43,58H,4-6,8,11,13-15,17,20,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-
HMDB54863	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,39-40,42-44,47-48,51,62H,4-6,8,11,13-15,22-24,30-31,37-38,41,45-46,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-
HMDB54862	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,39-40,42-44,47,62H,4-6,8,11,13-15,22-24,30-31,37-38,41,45-46,48-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-
HMDB54861	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-7,10,13-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB54860	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-7,10,13-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-
HMDB54867	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-39,41,60H,4-7,10,13-15,22-24,30,32,35,37,40,42-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-
HMDB54866	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-37,40-45,50,53,64H,4-8,10-11,13-15,22-24,31-32,35,38-39,46-49,51-52,54-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-
HMDB54865	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-37,40-45,64H,4-8,10-11,13-15,22-24,31-32,35,38-39,46-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-
HMDB54864	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,36,39-40,43,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-
HMDB54869	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,32,35-36,38-41,43,62H,4-7,10,13-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-
HMDB54868	TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-41,43,60H,4-7,10,13-15,22-24,30,32,35,37,42,44-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-
HMDB00679	Homocitrulline	N[C@@H](CCCCNC(N)=O)C(O)=O	InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
HMDB00678	Isovalerylglycine	CC(C)CC(=O)NCC(O)=O	InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
HMDB00676	L-Homocystine	NC(CCSSCC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6?/m0/s1
HMDB00675	Iodine	II	InChI=1S/I2/c1-2
HMDB00674	PA(16:0/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
HMDB00673	Linoleic acid	CCCCC\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
HMDB00672	Hexadecanedioic acid	OC(=O)CCCCCCCCCCCCCCC(O)=O	InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
HMDB00671	Indolelactic acid	OC(CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
HMDB00670	Homo-L-arginine	N[C@@H](CCCCNC(N)=N)C(O)=O	InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
HMDB06537	(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H]1O	InChI=1S/C26H45NO21/c1-6(32)27-11-15(36)20(10(5-31)42-23(11)41)46-25-18(39)22(14(35)8(3-29)44-25)48-26-19(40)21(13(34)9(4-30)45-26)47-24-17(38)16(37)12(33)7(2-28)43-24/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+/m0/s1
HMDB06534	D-Xylulose 1-phosphate	OC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3,5-7,9H,1-2H2,(H2,10,11,12)/t3-,5-/m1/s1
HMDB06535	Beta-1,4-mannose-N-acetylglucosamine	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14-/m1/s1
HMDB06532	Palmitoleyl CoA	CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-
HMDB55119	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-7,10,13-15,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB06530	trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	CC(C)C(=C)C\C=C(\C)C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8-/t20-,23?,24+,25+,29-/m1/s1
HMDB52322	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,40-41,43,47,50,64H,4-8,10-11,13-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB52323	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,42,45,66H,4-8,10-11,13-16,19,22-24,31-41,43-44,46-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,45-42-
HMDB52320	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,39,42,63H,4-7,9-10,12-14,16,19,21-23,30-38,40-41,43-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,42-39-
HMDB52321	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,40-41,43,64H,4-8,10-11,13-16,19,22-24,31-37,39,42,44-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-
HMDB52326	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36,38,41,62H,4-7,10,13-16,19,22-24,30-35,37,39-40,42-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-
HMDB52327	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36,38,41-42,45,62H,4-7,10,13-16,19,22-24,30-35,37,39-40,43-44,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-
HMDB52324	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,42-43,45-46,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39-41,44,47-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-
HMDB52325	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,42-43,45-46,52,55,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39-41,44,47-51,53-54,56-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,55-52-
HMDB01078	Mannose 6-phosphate	O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
HMDB54248	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-40,42-44,47,60H,4-8,10-11,13-15,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB01076	Fructose 1-phosphate	OC[C@H]1O[C@](O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
HMDB54246	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-15,22-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB54245	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-47,50,64H,4-15,22-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB54244	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,37-38,41,43,46-47,50,64H,4-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB01072	Coenzyme Q10	COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O	InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
HMDB54242	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,44,47,61H,4-15,18,21-24,27,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB01070	Octanoyl-CoA	CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)
HMDB54240	TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB34304	Tuberoside D	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3
HMDB40118	(all-E)-6'-Apo-y-caroten-6'-al	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=O	InChI=1S/C32H42O/c1-27(2)15-10-18-30(5)21-13-23-31(6)22-11-19-28(3)16-8-9-17-29(4)20-12-24-32(7)25-14-26-33/h8-9,11-17,19-26H,10,18H2,1-7H3/b9-8+,19-11+,20-12+,23-13+,25-14+,28-16+,29-17+,30-21+,31-22+,32-24+
HMDB40119	Enokipodin C	CC1=CC2=C(C=C1O)C1(C)C(O)CC(O)(O2)C1(C)C	InChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3
HMDB40116	()-2-Butylthiazolidine	CCCCC1NCCS1	InChI=1S/C7H15NS/c1-2-3-4-7-8-5-6-9-7/h7-8H,2-6H2,1H3
HMDB40117	()-2-(2-Methylpropyl)thiazolidine	CC(C)CC1NCCS1	InChI=1S/C7H15NS/c1-6(2)5-7-8-3-4-9-7/h6-8H,3-5H2,1-2H3
HMDB40114	2-Octyl-4-propylthiazole	CCCCCCCCC1=NC(CCC)=CS1	InChI=1S/C14H25NS/c1-3-5-6-7-8-9-11-14-15-13(10-4-2)12-16-14/h12H,3-11H2,1-2H3
HMDB40115	4-Ethyl-2-octylthiazole	CCCCCCCCC1=NC(CC)=CS1	InChI=1S/C13H23NS/c1-3-5-6-7-8-9-10-13-14-12(4-2)11-15-13/h11H,3-10H2,1-2H3
HMDB40112	2-Pentyl-4-propylthiazole	CCCCCC1=NC(CCC)=CS1	InChI=1S/C11H19NS/c1-3-5-6-8-11-12-10(7-4-2)9-13-11/h9H,3-8H2,1-2H3
HMDB34306	b-Chlorogenin 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucopyranosyl-(1-&gt;4)-b-D-galactopyranoside]	CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C50H82O23/c1-19-5-10-50(65-17-19)20(2)32-28(73-50)13-24-22-12-26(54)25-11-21(6-8-48(25,3)23(22)7-9-49(24,32)4)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)27(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3
HMDB40110	2-Butyl-4-propylthiazole	CCCCC1=NC(CCC)=CS1	InChI=1S/C10H17NS/c1-3-5-7-10-11-9(6-4-2)8-12-10/h8H,3-7H2,1-2H3
HMDB40111	4-Ethyl-2-hexylthiazole	CCCCCCC1=NC(CC)=CS1	InChI=1S/C11H19NS/c1-3-5-6-7-8-11-12-10(4-2)9-13-11/h9H,3-8H2,1-2H3
HMDB48343	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,9,12-14,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB48342	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,41,44,56H,4-6,9,12-14,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB48341	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,38-39,41-42,54H,4-6,9,12-14,21-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB34307	b-Chlorogenin 3-O-[b-D-Glucopyranosyl-(1-&gt;3)-b-D-glucopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucopyranosyl-(1-&gt;4)-b-D-galactopyranoside]	CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C56H92O28/c1-20-5-10-56(74-18-20)21(2)34-29(84-56)13-25-23-12-27(61)26-11-22(6-8-54(26,3)24(23)7-9-55(25,34)4)75-50-43(71)40(68)45(33(17-60)79-50)80-53-48(47(38(66)32(16-59)78-53)82-49-41(69)35(63)28(62)19-73-49)83-52-44(72)46(37(65)31(15-58)77-52)81-51-42(70)39(67)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3
HMDB48347	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-
HMDB48346	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,34,52H,4-6,8-9,11-14,17,21-22,26,29-30,32-33,35-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,34-31-
HMDB48345	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,14-19,23-24,26-27,29,32,50H,4-6,8-9,11-13,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,32-29-
HMDB48344	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,37,40,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,40-37-
HMDB34300	5-Isothiocyanato-1-pentene	C=CCCCN=C=S	InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
HMDB48349	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-
HMDB48348	TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,33,36,54H,4-6,8-9,11-14,17,20-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,36-33-
HMDB34301	Piperidine	C1CCNCC1	InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
HMDB54362	TG(22:2(13Z,16Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,38,40,60H,4-15,18,21-24,29-30,32,34-37,39,41-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-38-
HMDB34302	Reticulatain 2	CCCCCCCCCCC(O)C1CCC(COCCCCCCCCCCCCCCCCC2=CC(C)OC2=O)O1	InChI=1S/C37H68O5/c1-3-4-5-6-7-17-20-23-26-35(38)36-28-27-34(42-36)31-40-29-24-21-18-15-13-11-9-8-10-12-14-16-19-22-25-33-30-32(2)41-37(33)39/h30,32,34-36,38H,3-29,31H2,1-2H3
HMDB48075	TG(14:1(9Z)/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,31,55H,4-14,16-17,19,21-22,25,28-30,32-54H2,1-3H3/b18-15-,23-20-,26-24-,31-27-
HMDB34303	1-Methoxyspirobrassinin	CON1C(=O)C2(CN=C(SC)S2)C2=C1C=CC=C2	InChI=1S/C12H12N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6H,7H2,1-2H3
HMDB35201	4,8-Diacetyl-T2-tetrol	CC(=O)OC1C(O)C2OC3C=C(C)C(CC3(CO)C1(C)C21CO1)OC(C)=O	InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3
HMDB51749	TG(22:1(13Z)/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,68H,4-17,19-20,22-24,31-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-
HMDB51748	TG(22:1(13Z)/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,66H,4-17,19-20,22-24,31-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-
HMDB51745	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,40-41,43-44,49,52,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB51744	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB51747	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,61H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-
HMDB51746	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17,20,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB51741	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,39,45,48,60H,4-8,10-11,13-16,19,22-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB51740	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-15,17,20,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB51743	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB51742	TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,39-40,43,45,48,60H,4-8,10-11,13-16,19,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB57198	CL(18:0/18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB07669	DG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,45,48H,3-10,15-16,21-23,25,27-29,31,33-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t45-/m0/s1
HMDB07668	DG(22:2(13Z,16Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45,48H,3-10,15-16,21-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t45-/m0/s1
HMDB09209	PE(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,43H,3-4,9-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1
HMDB09208	PE(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,32,34,43H,3-5,7,9-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-/m1/s1
HMDB09205	PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,27,29,43H,3-5,7,9-11,13,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-,29-27-/t43-/m1/s1
HMDB09204	PE(18:4(6Z,9Z,12Z,15Z)/22:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,27,29,43H,3-5,7,9-11,13,15-17,19-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-,29-27-/t43-/m1/s1
HMDB09207	PE(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,43H,3-5,7,9-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1
HMDB07662	DG(22:2(13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,43,46H,3-10,15-16,21-25,27,29-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,28-26-/t43-/m0/s1
HMDB09201	PE(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27-28,30,41H,3-5,7,9-10,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1
HMDB09200	PE(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27,41H,3-5,7,9-10,15-16,20,23,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-/m1/s1
HMDB09203	PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-28,30,41H,3-4,9-10,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1
HMDB09202	PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27,41H,3-4,9-10,15-16,20,23,26,28-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-/m1/s1
HMDB02520	Beta-Glycerophosphoric acid	OCC(CO)OP(O)(O)=O	InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
HMDB02523	Oxolan-3-one	O=C1CCOC1	InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
HMDB02522	Chenodeoxycholic acid sulfate	[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(O)=O	InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)31-32(28,29)30/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20?,22+,23+,24-/m1/s1
HMDB33239	Pogostol	CC1CCC2C1CC(CCC2(C)O)C(C)=C	InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h11-14,16H,1,5-9H2,2-4H3
HMDB33238	2-Isopropyl-5-methylfuran	CC(C)C1=CC=C(C)O1	InChI=1S/C8H12O/c1-6(2)8-5-4-7(3)9-8/h4-6H,1-3H3
HMDB33235	8,12-Epoxy-4(15),7,11-eudesmatrien-1-one	CC1=COC2=C1CC1C(=C)CCC(=O)C1(C)C2	InChI=1S/C15H18O2/c1-9-4-5-14(16)15(3)7-13-11(6-12(9)15)10(2)8-17-13/h8,12H,1,4-7H2,2-3H3
HMDB33234	3,7-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid; (3b,7b,24E)-form	CC(CC\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C30H44O6/c1-16(9-8-10-17(2)26(35)36)18-13-23(34)30(7)25-19(31)14-21-27(3,4)22(33)11-12-28(21,5)24(25)20(32)15-29(18,30)6/h10,16,18-19,21-22,31,33H,8-9,11-15H2,1-7H3,(H,35,36)/b17-10+
HMDB33237	1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO	InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3
HMDB33236	10-Hydroxylinalyl oxide; (3R*,6R*)-form, 7-O-b-D-Glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C=C	InChI=1S/C16H28O8/c1-4-16(8-18)6-5-10(23-16)15(2,3)24-14-13(21)12(20)11(19)9(7-17)22-14/h4,9-14,17-21H,1,5-8H2,2-3H3
HMDB33231	p-Menthane-7,8-diol; (1RS,4RS)-form, 8-O-b-D-Glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)CC1	InChI=1S/C16H30O7/c1-16(2,10-5-3-9(7-17)4-6-10)23-15-14(21)13(20)12(19)11(8-18)22-15/h9-15,17-21H,3-8H2,1-2H3
HMDB33230	p-Menthane-7,8-diol; (1RS,4RS)-form, 7-O-b-D-Glucopyranoside	CC(C)(O)C1CCC(COC2OC(CO)C(O)C(O)C2O)CC1	InChI=1S/C16H30O7/c1-16(2,21)10-5-3-9(4-6-10)8-22-15-14(20)13(19)12(18)11(7-17)23-15/h9-15,17-21H,3-8H2,1-2H3
HMDB33233	Lucidumol A	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3
HMDB33232	(3beta,16alpha)-7-Baurene-3,16-diol	CC1CCC2(C)C(O)CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C	InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3
HMDB41641	1,5-Diferuloylquinic acid	[H]OC(=O)[C@@]1(OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(OC(=O)C(\[H])=C(/[H])C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2[H])C1([H])[H]	InChI=1S/C27H28O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(31)38-22-14-27(26(34)35,13-19(30)25(22)33)39-24(32)10-6-16-4-8-18(29)21(12-16)37-2/h3-12,19,22,25,28-30,33H,13-14H2,1-2H3,(H,34,35)/b9-5+,10-6+/t19-,22-,25+,27-/m1/s1
HMDB41640	(-)-Epigallocatechin 7-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O3)C2=C([H])C(O[H])=C(O[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H22O13/c22-9-3-7(32-21-17(29)15(27)16(28)19(34-21)20(30)31)4-13-8(9)5-12(25)18(33-13)6-1-10(23)14(26)11(24)2-6/h1-4,12,15-19,21-29H,5H2,(H,30,31)/t12-,15+,16+,17-,18-,19+,21-/m1/s1
HMDB41643	1-Feruloyl-5-caffeoylquinic acid	[H]OC(=O)[C@@]1(OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(OC(=O)C(\[H])=C(/[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C1([H])[H]	InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-26(25(34)35)12-19(30)24(33)21(13-26)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t19-,21-,24+,26-/m1/s1
HMDB41642	1-Caffeoyl-5-feruloylquinic acid	[H]OC(=O)[C@@]1(OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(OC(=O)C(\[H])=C(/[H])C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2[H])C1([H])[H]	InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)4-8-22(31)37-21-13-26(25(34)35,12-19(30)24(21)33)38-23(32)9-5-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t19-,21-,24+,26-/m1/s1
HMDB41645	2'-Hydroxyenterolactone	[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[C@]1([H])C([H])([H])C1=C(O[H])C(O[H])=C([H])C([H])=C1[H]	InChI=1S/C18H18O5/c19-14-5-1-3-11(7-14)8-15-13(10-23-18(15)22)9-12-4-2-6-16(20)17(12)21/h1-7,13,15,19-21H,8-10H2/t13-,15+/m0/s1
HMDB41644	2',7-Dihydroxy-4',5'-dimethoxyisoflavone	[H]OC1=C([H])C2=C(C([H])=C1[H])C(=O)C(=C([H])O2)C1=C(O[H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	InChI=1S/C17H14O6/c1-21-15-6-11(13(19)7-16(15)22-2)12-8-23-14-5-9(18)3-4-10(14)17(12)20/h3-8,18-19H,1-2H3
HMDB41647	2-Dehydro-O-desmethylangolensin	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=C([H])[H])C(=O)C1=C(O[H])C([H])=C(O[H])C([H])=C1[H]	InChI=1S/C15H12O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-8,16-18H,1H2
HMDB41646	2,4-Dihydroxyacetophenone 5-sulfate	[H]OC1=C([H])C(OS(=O)(=O)O[H])=C(C([H])=C1[H])C(=O)C([H])([H])[H]	InChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13)
HMDB41649	2-Hydroxyenterodiol	[H]OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])O[H])C([H])(C([H])([H])O[H])C([H])([H])C1=C(O[H])C(O[H])=C([H])C([H])=C1[H]	InChI=1S/C18H22O5/c19-10-14(7-12-3-1-5-16(21)8-12)15(11-20)9-13-4-2-6-17(22)18(13)23/h1-6,8,14-15,19-23H,7,9-11H2
HMDB41648	2-Hydroxy-4-methoxyacetophenone 5-sulfate	[H]OC1=C(C([H])=C(OS(=O)(=O)O[H])C(OC([H])([H])[H])=C1[H])C(=O)C([H])([H])[H]	InChI=1S/C9H10O7S/c1-5(10)6-3-9(16-17(12,13)14)8(15-2)4-7(6)11/h3-4,11H,1-2H3,(H,12,13,14)
HMDB46619	TG(22:0/24:1(15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-
HMDB46618	TG(22:0/24:1(15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,65H,4-14,16-17,19-23,26,29-64H2,1-3H3/b18-15-,27-24-,28-25-
HMDB49432	TG(18:1(11Z)/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,33,35,41,44,57H,4-13,15-16,18-20,22,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,35-33-,44-41-
HMDB49433	TG(18:1(11Z)/20:2n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,59H,4-13,15-16,18-20,22,27,29-58H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB49430	TG(18:1(11Z)/20:2n6/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,20,22-23,25,27,30,55H,4-12,14-15,17-19,21,24,26,28-29,31-54H2,1-3H3/b16-13-,23-20-,25-22-,30-27-
HMDB49431	TG(18:1(11Z)/20:2n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,57H,4-13,15-16,18-20,22,27,29-56H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB14937	Tazarotene	CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1	InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
HMDB49437	TG(18:1(11Z)/20:2n6/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,21-26,56H,4-12,15,18-20,27-55H2,1-3H3/b16-13-,17-14-,24-21-,25-22-,26-23-
HMDB49434	TG(18:1(11Z)/20:2n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,61H,4-13,15-16,18-20,22,27,29-60H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB49435	TG(18:1(11Z)/20:2n6/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,19,21-24,26,28,31,56H,4-13,15-16,18,20,25,27,29-30,32-55H2,1-3H3/b17-14-,22-19-,24-21-,26-23-,31-28-
HMDB49438	TG(18:1(11Z)/20:2n6/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,33,35,57H,4-13,15,18,20,22,27,29-32,34,36-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,35-33-
HMDB49439	TG(18:1(11Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,33,35,41,44,57H,4-13,15,18,20,22,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,35-33-,44-41-
HMDB29180	4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide	COCC1=CC=C(C=C1O[C@@H]1OC([C@@H](O)[C@H](O)C1O)C(O)=O)C1OC2=CC(O)=CC(O)=C2C[C@@H]1O	InChI=1S/C23H26O12/c1-32-8-10-3-2-9(20-14(26)7-12-13(25)5-11(24)6-16(12)33-20)4-15(10)34-23-19(29)17(27)18(28)21(35-23)22(30)31/h2-6,14,17-21,23-29H,7-8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1
HMDB29181	4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide	CCC1=CC=C(C=C1O)C1OC2=CC(O)=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=C2C[C@@H]1O	InChI=1S/C23H26O11/c1-2-9-3-4-10(5-13(9)25)20-14(26)8-12-15(32-20)6-11(24)7-16(12)33-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,14,17-21,23-29H,2,8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1
HMDB36003	alpha-Guaiene	CC1CCC2=C1CC(CCC2C)C(C)=C	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3
HMDB33583	Leontogenin	CC1C2C(CC3C4C(CCC23C)C2(C)CCC(O)CC2(O)C4C=O)OC11CCC(C)CO1	InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)11-19-22-18(7-8-24(19,23)3)25(4)9-6-17(29)12-26(25,30)20(22)13-28/h13,15-23,29-30H,5-12,14H2,1-4H3
HMDB33582	(E)-1,11-Tridecadiene-3,5,7,9-tetrayne	C\C=C/C#CC#CC#CC#CC=C	InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4-
HMDB33581	3-(2-Hydroxyphenyl)-2-propenoic acid, 9CI; (Z)-form, O-b-D-Glucopyranoside	OCC1OC(OC2=C(\C=C\C(O)=O)C=CC=C2)C(O)C(O)C1O	InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+
HMDB33580	2,3,23-Trihydroxy-12-oleanen-28-oic acid; (2b,3b)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;3)-b-D-glucuronopyranoside], 28-O-b-D-glucopyranosyl ester	CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)CO)OC(C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H76O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,20,22-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)
HMDB33587	Coumestrin	OCC1OC(OC2=CC=C3C4=C(C5=C(O4)C=C(O)C=C5)C(=O)OC3=C2)C(O)C(O)C1O	InChI=1S/C21H18O10/c22-7-14-16(24)17(25)18(26)21(31-14)28-9-2-4-11-13(6-9)30-20(27)15-10-3-1-8(23)5-12(10)29-19(11)15/h1-6,14,16-18,21-26H,7H2
HMDB33586	2'-Hydroxy-4,4',6'-trimethoxychalcone	COC1=CC=C(\C=C\C(=O)C2=C(OC)C=C(OC)C=C2O)C=C1	InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
HMDB33585	Acesulfame	CC1=CC(=O)NS(=O)(=O)O1	InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
HMDB33584	Diethyl tartrate	CCOC(=O)C(O)C(O)C(=O)OCC	InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3
HMDB36005	Istanbulin B	CC1CCC(=O)C2CC3OC(=O)C(C)=C3CC12C	InChI=1S/C15H20O3/c1-8-4-5-12(16)11-6-13-10(7-15(8,11)3)9(2)14(17)18-13/h8,11,13H,4-7H2,1-3H3
HMDB33589	Ethyl 2-aminobenzoate	CCOC(=O)C1=CC=CC=C1N	InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3
HMDB33588	9-O-Methylcoumestrol	COC1=CC2=C(C=C1)C1=C(O2)C2=CC=C(O)C=C2OC1=O	InChI=1S/C16H10O5/c1-19-9-3-5-10-13(7-9)20-15-11-4-2-8(17)6-12(11)21-16(18)14(10)15/h2-7,17H,1H3
HMDB36004	alpha-Cyperene	CC1CCC2CC3=C(C)CCC13C2(C)C	InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3
HMDB41397	Ellagic acid, INN; 3,8-Di-Me ether, 2-O-[b-D-galactopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	COC1=C(O)C=C2C(=O)OC3=C(OC)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)=CC4=C3C2=C1OC4=O	InChI=1S/C28H30O18/c1-39-20-9(31)3-7-13-14-8(26(38)44-23(13)20)4-10(22(40-2)24(14)45-25(7)37)41-27-19(36)17(34)21(12(6-30)43-27)46-28-18(35)16(33)15(32)11(5-29)42-28/h3-4,11-12,15-19,21,27-36H,5-6H2,1-2H3
HMDB41396	2,8-Di-O-methylellagic acid	COC1=CC2=C3C(OC(=O)C4=CC(O)=C(OC)C(OC2=O)=C34)=C1O	InChI=1S/C16H10O8/c1-21-8-4-6-9-10-5(15(19)23-13(9)11(8)18)3-7(17)12(22-2)14(10)24-16(6)20/h3-4,17-18H,1-2H3
HMDB41395	2,3-Di-O-methylellagic acid	COC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1OC	InChI=1S/C16H10O8/c1-21-8-4-6-10-9-5(15(19)24-14(10)12(8)22-2)3-7(17)11(18)13(9)23-16(6)20/h3-4,17-18H,1-2H3
HMDB41394	Khelmarin D	CC1(C)OC2=C(C=C1)C1=C(C=CC(=O)O1)C(OC1C(O)C(C)(C)OC3=C1C1=C(C=CC(=O)O1)C=C3)=C2	InChI=1S/C28H24O8/c1-27(2)12-11-16-19(35-27)13-18(15-7-10-21(30)34-24(15)16)32-25-22-17(36-28(3,4)26(25)31)8-5-14-6-9-20(29)33-23(14)22/h5-13,25-26,31H,1-4H3
HMDB41393	(E)-1-Propenyl 2-propenyl disulfide	C\C=C/SSCC=C	InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-
HMDB29186	5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1CCC(CC2=CC(O)=CC(O)=C2)O1	InChI=1S/C11H14O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10-14H,1-2,5H2
HMDB41391	(E)-Methyl 1-propenyl disulfide	CSS\C=C/C	InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3/b4-3-
HMDB41390	(E,E)-Di-1-propenyl disulfide	C\C=C/SS\C=C/C	InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-6H,1-2H3/b5-3-,6-4-
HMDB29187	5-(3',5')-Dihydroxyphenyl-gamma-valerolactone	OC1CCC(CC2=CC(O)=CC(O)=C2)O1	InChI=1S/C11H14O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10-14H,1-2,5H2
HMDB41399	2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol	COC1=CC=C(C=C1)C1=C2C(O)C(O)C(O)C3=CC=CC(C=C1)=C23	InChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3
HMDB41398	Persicogenin 3'-glucoside	COC1=CC2=C(C(=O)CC(O2)C2=CC=C(OC)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)=C1	InChI=1S/C23H26O11/c1-30-11-6-12(25)19-13(26)8-15(32-17(19)7-11)10-3-4-14(31-2)16(5-10)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3
HMDB36009	Physcion 8-gentiobioside	COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C2=O	InChI=1S/C28H32O15/c1-9-3-11-18(22(34)17-12(19(11)31)5-10(39-2)6-13(17)30)14(4-9)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3
HMDB43597	TG(15:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-
HMDB36008	Acetylursolic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O	InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)
HMDB58618	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB53766	TG(20:3n6/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30,32,34,56H,4-7,9-10,12-15,18,22-23,27,29,31,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-
HMDB58619	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,65-66,70,85-87,92H,5-8,10-12,14-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-64,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,70-66-/t85?,86-,87-/m1/s1
HMDB42309	TG(14:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h19-20,22-23,46H,4-18,21,24-45H2,1-3H3/b22-19-,23-20-
HMDB42308	TG(14:0/16:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14,17,19,22,44H,4-13,15-16,18,20-21,23-43H2,1-3H3/b17-14-,22-19-
HMDB43596	TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-
HMDB53863	TG(20:3n6/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,35,37,40,57H,4-8,10-11,13,15,20,22,24,29-30,32,34,36,38-39,41-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-
HMDB53860	TG(20:3n6/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,36,38-39,42,61H,4-14,21-23,30-31,33,35,37,40-41,43-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-
HMDB53861	TG(20:3n6/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,32,34,36,38-39,42,48,51,61H,4-14,21-23,30-31,33,35,37,40-41,43-47,49-50,52-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,51-48-
HMDB53866	TG(20:3n6/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,36,38-39,42,61H,4-6,8-9,11-14,21-23,30-31,33,35,37,40-41,43-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-
HMDB32180	Butyl ethyl disulfide	CCCCSSCC	InChI=1S/C6H14S2/c1-3-5-6-8-7-4-2/h3-6H2,1-2H3
HMDB32181	alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)	CCCCOCCOCC(C)OCCCOC	InChI=1S/C13H28O4/c1-4-5-8-15-10-11-16-12-13(2)17-9-6-7-14-3/h13H,4-12H2,1-3H3
HMDB32182	Cadinene	CC(C)C1CCC(C)C2CCC(C)CC12	InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3
HMDB53867	TG(20:3n6/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,36,38-39,42,48,51,61H,4-6,8-9,11-14,21-23,30-31,33,35,37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,51-48-
HMDB47562	TG(24:0/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-
HMDB47563	TG(24:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36-37,39,45,48,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,38,40-44,46-47,49-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,39-37-,48-45-
HMDB47560	TG(24:0/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,35,60H,4-8,10-11,13-17,19,22,24-26,28-34,36-59H2,1-3H3/b12-9-,21-18-,23-20-,35-27-
HMDB47561	TG(24:0/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,34-35,60H,4-8,10-11,13-17,19-20,22-25,28-33,36-59H2,1-3H3/b12-9-,21-18-,34-26-,35-27-
HMDB47566	TG(24:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,35-36,61H,4-8,10-11,13-17,19,22,24-26,28,30-34,37-60H2,1-3H3/b12-9-,21-18-,23-20-,35-27-,36-29-
HMDB47567	TG(24:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,34-35,40,43,60H,4-8,10-11,13-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,34-26-,35-27-,43-40-
HMDB47564	TG(24:0/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-
HMDB47565	TG(24:0/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,40,66H,4-8,10-11,13-17,19-20,22-24,26,29-39,41-65H2,1-3H3/b12-9-,21-18-,28-25-,40-27-
HMDB47568	TG(24:0/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,35,61H,4-8,10-11,13,15-16,19-20,22,24-25,28-34,36-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,35-27-
HMDB47569	TG(24:0/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,39,62H,4-8,10-11,13-16,19,22-25,28,30-35,38,40-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,39-37-
HMDB15271	Cefadroxil	[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O	InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
HMDB15270	Cephapirin	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O	InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1
HMDB15273	Doxepin	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12	InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
HMDB15272	Micafungin	CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O	InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1
HMDB15275	Dichlorphenamide	NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O	InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
HMDB15274	Amifostine	NCCCNCCSP(O)(O)=O	InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)
HMDB39664	7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one	CCC1CC2=C(NCCC=C2)C1=O	InChI=1S/C11H15NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h3,5,8,12H,2,4,6-7H2,1H3
HMDB39665	5-Ethyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one	CCC1CC(=O)C2=C1CCCN2	InChI=1S/C10H15NO/c1-2-7-6-9(12)10-8(7)4-3-5-11-10/h7,11H,2-6H2,1H3
HMDB39666	6-Ethyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one	CCC1CC2=C(NCCC2)C1=O	InChI=1S/C10H15NO/c1-2-7-6-8-4-3-5-11-9(8)10(7)12/h7,11H,2-6H2,1H3
HMDB39667	2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one	CC1C(C)C2=C(NCCC=C2)C1=O	InChI=1S/C11H15NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h3,5,7-8,12H,4,6H2,1-2H3
HMDB39660	Gossyvertin	COC1=C(O)C2=C(C=C1C)C(=CC(O)=C2C=O)C(C)C	InChI=1S/C16H18O4/c1-8(2)10-6-13(18)12(7-17)14-11(10)5-9(3)16(20-4)15(14)19/h5-8,18-19H,1-4H3
HMDB39661	2,3,6,7-Tetrahydro-7-methylcyclopent[b]azepin-8(1H)-one	CC1CC2=C(NCCC=C2)C1=O	InChI=1S/C10H13NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h2,4,7,11H,3,5-6H2,1H3
HMDB39662	2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one	O=C1CCC2=C1NCCC=C2	InChI=1S/C9H11NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h1,3,10H,2,4-6H2
HMDB39663	2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one	O=C1CCC2=C1NCCCC2	InChI=1S/C9H13NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h10H,1-6H2
HMDB15276	Sulfoxone	OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1	InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)
HMDB39668	2-Hexyl-1,3-dioxan-5-ol	CCCCCCC1OCC(O)CO1	InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h9-11H,2-8H2,1H3
HMDB39669	2-Hexyl-1,3-dioxolane-4-methanol	CCCCCCC1OCC(CO)O1	InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3
HMDB03349	L-Dihydroorotic acid	OC(=O)[C@@H]1CC(=O)NC(=O)N1	InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1
HMDB43498	TG(15:0/20:3n6/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,33,54H,4-13,15,18,20-22,24,28-30,32,34-53H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,33-31-
HMDB40938	Coixinden A	COC1=CC(=O)C2=CC=C(OC)C=C12	InChI=1S/C11H10O3/c1-13-7-3-4-8-9(5-7)11(14-2)6-10(8)12/h3-6H,1-2H3
HMDB40939	Methyl phenyl disulfide	CSSC1=CC=CC=C1	InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3
HMDB40934	Uralene	COC1=C(OC2=C(C(O)=C(O)C=C2)C1=O)C1=C(CC=C(C)C)C=C(O)C(O)=C1	InChI=1S/C21H20O7/c1-10(2)4-5-11-8-14(23)15(24)9-12(11)20-21(27-3)19(26)17-16(28-20)7-6-13(22)18(17)25/h4,6-9,22-25H,5H2,1-3H3
HMDB40935	2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic acid; 2',6-Di-Me ether, Me ester	COC(=O)C1=C(OC2=C1C=CC(OC)=C2)C1=C(OC)C=C(O)C=C1	InChI=1S/C18H16O6/c1-21-11-5-7-12-15(9-11)24-17(16(12)18(20)23-3)13-6-4-10(19)8-14(13)22-2/h4-9,19H,1-3H3
HMDB40936	beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone	COC1=CC(OC)=C(\C(O)=C\C(=O)C2=CC=CC=C2)C(O)=C1C	InChI=1S/C18H18O5/c1-11-15(22-2)10-16(23-3)17(18(11)21)14(20)9-13(19)12-7-5-4-6-8-12/h4-10,20-21H,1-3H3/b14-9-
HMDB40937	Lactitol	OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO	InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2
HMDB40930	1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one	COC1=C(O)C=CC(\C=C/C(=O)/C=C\C2=CC(OC)=C(O)C=C2)=C1	InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3-,8-4-
HMDB40931	1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one	COC1=C(O)C=CC(\C=C/C(=O)/C=C\C2=CC=C(O)C=C2)=C1	InChI=1S/C18H16O4/c1-22-18-12-14(6-11-17(18)21)5-10-16(20)9-4-13-2-7-15(19)8-3-13/h2-12,19,21H,1H3/b9-4-,10-5-
HMDB40932	4-Chloro-3,5-dimethoxybenzaldehyde	COC1=CC(C=O)=CC(OC)=C1Cl	InChI=1S/C9H9ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3
HMDB40933	4-Chloro-3,5-dimethoxybenzyl alcohol	COC1=CC(CO)=CC(OC)=C1Cl	InChI=1S/C9H11ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-4,11H,5H2,1-2H3
HMDB43499	TG(15:0/20:3n6/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,55H,4-15,18,21-24,29-30,35-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-
HMDB43591	TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,55H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-
HMDB54078	TG(20:4(5Z,8Z,11Z,14Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-16,19,22-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB54079	TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,49,52,66H,4-16,19,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-,52-49-
HMDB43590	TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-
HMDB54077	TG(20:4(5Z,8Z,11Z,14Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,61H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b20-17-,29-26-,38-35-,47-44-
HMDB54070	TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB54071	TG(20:4(5Z,8Z,11Z,14Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,44,47,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,47-44-
HMDB38137	Bicyclogermacrene	C\C1=C\CC\C(C)=C/C2C(CC1)C2(C)C	InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6-,12-10-
HMDB38136	Curcumadiol	CC(C)C1=CCC(C)(O)C2CCC(C)(O)C2C1	InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h5,10,12-13,16-17H,6-9H2,1-4H3
HMDB35327	Ganoderiol B	CC(CCC=C(CO)CO)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3
HMDB35326	Ganoderiol A	CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H50O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-34H,8,10-12,14-18H2,1-7H3
HMDB35321	Galactopinitol B	CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13+/m1/s1
HMDB35320	Cucurbitaxanthin B	C\C(\C=C\C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C/C=C\C=C(\C)/C=C/C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-36(7,8)27-34(43-39)28-37(39,9)42)15-11-12-16-30(2)18-14-20-32(4)22-24-40-35(5,6)25-33(41)26-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19-,32-20+
HMDB35323	Fagopyritol B3	OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C24H42O21/c25-1-4-7(26)10(29)18(37)22(42-4)40-2-5-8(27)11(30)19(38)23(43-5)41-3-6-9(28)12(31)20(39)24(44-6)45-21-16(35)14(33)13(32)15(34)17(21)36/h4-39H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12+,13-,14-,15-,16+,17+,18-,19-,20-,21-,22+,23+,24-/m1/s1
HMDB38130	1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one	CCC(=O)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
HMDB54073	TG(20:4(5Z,8Z,11Z,14Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,46,49,62H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,49-46-
HMDB35329	Ganoderic acid Ma	CC(CC\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC(C)=O	InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-27(37)34(9)29-23(13-16-33(24,34)8)32(7)15-14-28(41-22(4)36)31(5,6)26(32)18-25(29)40-21(3)35/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-
HMDB35328	Perilla ketone	CC(C)CCC(=O)C1=COC=C1	InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
HMDB38139	epsilon-Muurolene	CC(C)C1CCC(=C)C2CCC(=C)CC12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10,13-15H,3-9H2,1-2H3
HMDB38138	alpha-Bisabolol oxide C	CC(C)=CCCC1(C)OC2(C)CCC1CC2O	InChI=1S/C15H26O2/c1-11(2)6-5-8-14(3)12-7-9-15(4,17-14)13(16)10-12/h6,12-13,16H,5,7-10H2,1-4H3
HMDB36669	2-Pinen-10-ol; (+)-form, Formyl	CC1(C)C2CC1C(COC=O)=CC2	InChI=1S/C11H16O2/c1-11(2)9-4-3-8(6-13-7-12)10(11)5-9/h3,7,9-10H,4-6H2,1-2H3
HMDB36668	Humulene-8-hydroperoxide	C\C1=C\CC(C)(C)\C=C\C(OO)\C(C)=C/CC1	InChI=1S/C15H24O2/c1-12-6-5-7-13(2)14(17-16)9-11-15(3,4)10-8-12/h7-9,11,14,16H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7-
HMDB36665	Blumealactone A	C\C=C(/C)C(=O)OC1C2OC2(C)CCCC(C)C(O)C2OC(=O)C(=C)C12	InChI=1S/C20H28O6/c1-6-10(2)18(22)25-16-13-12(4)19(23)24-15(13)14(21)11(3)8-7-9-20(5)17(16)26-20/h6,11,13-17,21H,4,7-9H2,1-3,5H3/b10-6+
HMDB36664	Ketopelenolide a	CC1C2CC\C(C)=C/CC(=O)C(C)CC2OC1=O	InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5-
HMDB36667	Zerumbone	C\C1=C\CC(C)(C)\C=C\C(=O)\C(C)=C/CC1	InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7-
HMDB36666	Blumealactone B	CC1CCCC2(C)OC2C(OC(=O)C=C(C)C)C2C(OC(=O)C2=C)C1O	InChI=1S/C20H28O6/c1-10(2)9-13(21)24-17-14-12(4)19(23)25-16(14)15(22)11(3)7-6-8-20(5)18(17)26-20/h9,11,14-18,22H,4,6-8H2,1-3,5H3
HMDB36661	Isorosmanol	CC(C)C1=CC2=C(C(O)=C1O)C13CCCC(C)(C)C1C(O)C2OC3=O	InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3
HMDB36660	alpha-Amyrin palmitate	CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C	InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3
HMDB36663	Hydroxypelenolide	CC1C2CC\C(C)=C/CC(O)C(C)CC2OC1=O	InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5-
HMDB36662	2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide	C\C1=C\C2OC(=O)C(=C)C2C(O)C(=O)\C(C)=C/C(O)C1	InChI=1S/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-12,14,16,18H,3-4H2,1-2H3/b7-5-,8-6-
HMDB56687	CL(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-37,40-44,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB13958	5-O-Desmethyldonepezil	COC1=C(O)C=C2CC(CC3CCN(CC4=CC=CC=C4)CC3)C(=O)C2=C1	InChI=1S/C23H27NO3/c1-27-22-14-20-18(13-21(22)25)12-19(23(20)26)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3
HMDB13959	6-O-Desmethyldonepezil	COC1=C(O)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1	InChI=1S/C23H27NO3/c1-27-22-13-18-12-19(23(26)20(18)14-21(22)25)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3
HMDB58746	CL(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-47-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-43,48,52,60,64,79-81,86H,5-20,22-24,29,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58747	CL(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-47-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-/t79?,80-,81-/m1/s1
HMDB58744	CL(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(99-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h25-32,36-41,76-78,83H,5-24,33-35,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-,41-38-/t76?,77-,78-/m1/s1
HMDB58745	CL(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-38-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-42,46,54,58,77-79,84H,5-20,22-24,29,34-35,39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,40-37-,41-38-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB58742	CL(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-38-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-43-40-37-34-30-26-22-18-14-10-6-2/h25-32,36-37,39-40,75-77,82H,5-24,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB58743	CL(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-38-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-43-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-40,75-77,82H,5-24,27,31,33-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB13950	1-Hydroxycarvedilol	COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N2	InChI=1S/C24H26N2O5/c1-29-20-8-4-5-9-21(20)30-13-12-25-14-16(27)15-31-22-11-10-19(28)24-23(22)17-6-2-3-7-18(17)26-24/h2-11,16,25-28H,12-15H2,1H3
HMDB58741	CL(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-42-38-36-34-30-26-22-18-14-10-6-2/h25-32,35-38,73-75,80H,5-24,33-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,32-28-,37-35-,38-36-/t74-,75-/m1/s1
HMDB44138	TG(16:0/20:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-
HMDB34745	Ginsenoside Rf	CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3
HMDB56325	DG(20:3n6/0:0/22:5n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-
HMDB34740	Annonin XIV	CCCCCCCCCCC(O)C1CC(O)C(O1)C1OC(CC1O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-5-6-7-13-16-19-22-29(38)33-25-31(40)35(44-33)36-32(41)26-34(45-36)30(39)23-20-17-14-11-9-8-10-12-15-18-21-28-24-27(2)43-37(28)42/h24,27,29-36,38-41H,3-23,25-26H2,1-2H3
HMDB34741	Notoginsenoside Fc	CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)41(69)40(68)31(80-51)23-77-49-44(72)36(64)27(62)21-75-49)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-52-47(42(70)38(66)29(19-59)78-52)83-53-48(43(71)39(67)30(20-60)79-53)82-50-45(73)37(65)28(63)22-76-50/h10,25-53,59-74H,9,11-23H2,1-8H3
HMDB34742	Saussurea lactone	CC1C2CCC(C)(C=C)C(C2OC1=O)C(C)=C	InChI=1S/C15H22O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,10-13H,1-2,7-8H2,3-5H3
HMDB44130	TG(16:0/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,52H,4-6,8-9,11-15,17-18,20-24,29-51H2,1-3H3/b10-7-,19-16-,27-25-,28-26-
HMDB44131	TG(16:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,33,36,52H,4-6,8-9,11-15,17-18,20-24,29-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,36-33-
HMDB44132	TG(16:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,54H,4-6,8-9,11-15,17-18,20-24,28,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-
HMDB44133	TG(16:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,38,41,54H,4-6,8-9,11-15,17-18,20-24,28,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-,41-38-
HMDB34748	Ferrocholinate	O.O.O.[Fe+3].C[N+](C)(C)CCO.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O	InChI=1S/C6H7O7.C5H14NO.Fe.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3;;3*1H2/q-1;+1;+3;;;/p-3
HMDB34749	Icariside E5	COC1=CC(CC(CO)C2=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=CC(\C=C/CO)=C2)=CC=C1O	InChI=1S/C26H34O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-6,9-11,16,21-24,26-33H,7-8,12-13H2,1-2H3/b4-3-
HMDB44136	TG(16:0/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,53H,4-25,27,29-52H2,1-3H3/b28-26-
HMDB44137	TG(16:0/20:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h25-26,52H,4-24,27-51H2,1-3H3/b26-25-
HMDB56323	DG(20:3n6/0:0/22:2n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,43,46H,3-10,15-16,21-24,26,28-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,27-25-
HMDB32968	2,4-Dimethyloxazole	CC1=NC(C)=CO1	InChI=1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3
HMDB32969	2,5-Dimethyloxazole	CC1=CN=C(C)O1	InChI=1S/C5H7NO/c1-4-3-6-5(2)7-4/h3H,1-2H3
HMDB32962	Secoclausenamide	CN(CCC1=CC=CC=C1)C(=O)C(O)C(O)C1=CC=CC=C1	InChI=1S/C18H21NO3/c1-19(13-12-14-8-4-2-5-9-14)18(22)17(21)16(20)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3
HMDB32963	Zeanic acid	OC(=O)C1=CC(=O)NC2=C1C=CC=C2O.OC(=O)C1=CC(O)=NC2=C1C=CC=C2O	InChI=1S/2C10H7NO4/c2*12-7-3-1-2-5-6(10(14)15)4-8(13)11-9(5)7/h2*1-4,12H,(H,11,13)(H,14,15)
HMDB32960	1-Octen-3-yl primeveroside	CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C	InChI=1S/C19H34O10/c1-3-5-6-7-10(4-2)28-19-17(25)15(23)14(22)12(29-19)9-27-18-16(24)13(21)11(20)8-26-18/h4,10-25H,2-3,5-9H2,1H3
HMDB32961	Secodemethylclausenamide	OC(C(O)C1=CC=CC=C1)C(=O)NCCC1=CC=CC=C1	InChI=1S/C17H19NO3/c19-15(14-9-5-2-6-10-14)16(20)17(21)18-12-11-13-7-3-1-4-8-13/h1-10,15-16,19-20H,11-12H2,(H,18,21)
HMDB32966	Furaneol acetate	CC1OC(C)=C(OC(C)=O)C1=O	InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3
HMDB32967	2,4-Dimethyl-1H-indole	CC1=CC2=C(N1)C=CC=C2C	InChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,11H,1-2H3
HMDB32964	2-Acetylthiazole	CC(=O)C1=NC=CS1	InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
HMDB32965	2,4-Dimethylfuran	CC1=CC(C)=CO1	InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
HMDB37217	xi-5-Hexyldihydro-2(3H)-furanone	CCCCCCC1CCC(=O)O1	InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
HMDB37216	Linalyl phenylacetate	CC(C)=CCCC(C)(OC(=O)CC1=CC=CC=C1)C=C	InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3
HMDB37215	trans-beta-Terpineol	CC(=C)[C@H]1CC[C@@](C)(O)CC1	InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3/t9-,10+
HMDB37214	cis-beta-Terpineol	CC(=C)[C@H]1CC[C@](C)(O)CC1	InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3/t9-,10-
HMDB37213	xi-p-Menth-3-ene	CC(C)C1=CCC(C)CC1	InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h6,8-9H,4-5,7H2,1-3H3
HMDB37212	Menthyl lactate	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C)O	InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1
HMDB37211	Menthyl isovalerate	CC(C)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1
HMDB37210	alpha-Santalyl phenylacetate	C\C(COC(=O)CC1=CC=CC=C1)=C\CCC1(C)C2CC3C(C2)C13C	InChI=1S/C23H30O2/c1-16(15-25-21(24)12-17-9-5-4-6-10-17)8-7-11-22(2)18-13-19-20(14-18)23(19,22)3/h4-6,8-10,18-20H,7,11-15H2,1-3H3/b16-8-
HMDB37219	Goyaglycoside e	CC(C\C=C\C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C	InChI=1S/C42H68O13/c1-22(9-8-14-37(2,3)55-36-34(50)32(48)30(46)25(20-44)53-36)23-12-15-40(7)26-13-16-42-27(41(26,21-51-42)18-17-39(23,40)6)10-11-28(38(42,4)5)54-35-33(49)31(47)29(45)24(19-43)52-35/h8,13-14,16,22-36,43-50H,9-12,15,17-21H2,1-7H3/b14-8+
HMDB37218	Guaiol acetate	CC1CCC2=C1CC(CCC2C)C(C)(C)OC(C)=O	InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3
HMDB14728	Doxazosin	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1	InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
HMDB14729	Fluocinolone Acetonide	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO	InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
HMDB14720	Voriconazole	C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1	InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
HMDB14721	L-Carnitine	C[N+](C)(C)C[C@H](O)CC([O-])=O	InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
HMDB14722	Enalapril	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O	InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
HMDB14723	Nizatidine	CN\C(NCCSCC1=CSC(CN(C)C)=N1)=C/[N+]([O-])=O	InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+
HMDB14724	Diclofenac	OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl	InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
HMDB14725	Cinalukast	CCC(CC)(CC(=O)NC1=CC=CC(\C=C\C2=NC(=CS2)C2CCC2)=C1)C(O)=O	InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
HMDB14726	Fluticasone Propionate	[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@]([H])(F)C2=CC(=O)C=C[C@]12C	InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
HMDB14727	Lisuride	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC	InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
HMDB29593	Trichloroethylene	ClC=C(Cl)Cl	InChI=1S/C2HCl3/c3-1-2(4)5/h1H
HMDB29592	Triacetin	CC(=O)OCC(COC(C)=O)OC(C)=O	InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
HMDB29597	Cyclohexane	C1CCCCC1	InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
HMDB29596	Chloroform	ClC(Cl)Cl	InChI=1S/CHCl3/c2-1(3)4/h1H
HMDB29595	Nonane	CCCCCCCCC	InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
HMDB29594	Ethylene	C=C	InChI=1S/C2H4/c1-2/h1-2H2
HMDB29599	Glutaral	O=CCCCC=O	InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
HMDB29598	Metenamine	C1N2CN3CN1CN(C2)C3	InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
HMDB38955	Avenalumin II	COC1=CC=CC(\C=C/C2=NC3=C(C=CC=C3)C(=O)O2)=C1	InChI=1S/C17H13NO3/c1-20-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(19)21-16/h2-11H,1H3/b10-9-
HMDB38954	Citronellyl isovalerate	CC(C)CC(=O)OCCC(C)CCC=C(C)C	InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3
HMDB38957	Citronellyl cinnamate	CC(CCOC(=O)\C=C\C1=CC=CC=C1)CCC=C(C)C	InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-13,17H,7,9,14-15H2,1-3H3/b13-12+
HMDB38956	Avenalumin III	OC1=CC=C(\C=C\C=C/C2=NC3=C(C=CC=C3)C(=O)O2)C=C1	InChI=1S/C18H13NO3/c20-14-11-9-13(10-12-14)5-1-4-8-17-19-16-7-3-2-6-15(16)18(21)22-17/h1-12,20H/b5-1+,8-4-
HMDB38951	Prupaside	COC1=CC(CC2COC(C2COC2OCC(O)C(O)C2O)C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O	InChI=1S/C27H36O12/c1-33-18-6-13(7-19(34-2)23(18)30)5-15-10-37-26(14-8-20(35-3)24(31)21(9-14)36-4)16(15)11-38-27-25(32)22(29)17(28)12-39-27/h6-9,15-17,22,25-32H,5,10-12H2,1-4H3
HMDB38950	5-Methoxyhinokinin	COC1=C2OCOC2=CC(CC2C(CC3=CC=C4OCOC4=C3)COC2=O)=C1	InChI=1S/C21H20O7/c1-23-18-7-13(8-19-20(18)28-11-27-19)5-15-14(9-24-21(15)22)4-12-2-3-16-17(6-12)26-10-25-16/h2-3,6-8,14-15H,4-5,9-11H2,1H3
HMDB38953	Fragransin B2	COC1=CC(=CC(OC)=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(O)C(OC)=C1	InChI=1S/C22H28O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-12,21-24H,1-6H3
HMDB38952	Niazicin A	COC(=S)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1.CO\C(S)=N/CC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1	InChI=1S/2C17H23NO7S/c2*1-9-15(24-10(2)19)13(20)14(21)16(23-9)25-12-6-4-11(5-7-12)8-18-17(26)22-3/h2*4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,26)
HMDB42262	TG(14:0/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,38,41,60H,4-16,18-19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,27-25-,34-32-,41-38-
HMDB42263	TG(14:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,38,41,47,50,60H,4-16,18-19,21-24,26,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b20-17-,27-25-,34-32-,41-38-,50-47-
HMDB42260	TG(14:0/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,34,36,42,45,58H,4-16,18-19,21-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b20-17-,27-25-,36-34-,45-42-
HMDB42261	TG(14:0/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,60H,4-16,18-19,21-24,26,28-59H2,1-3H3/b20-17-,27-25-
HMDB38959	2-Methyl-6-phytylhydroquinone	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=C(O)C(C)=CC(O)=C1	InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+
HMDB38958	Citronellyl hexanoate	CCCCCC(=O)OCCC(C)CCC=C(C)C	InChI=1S/C16H30O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,15H,5-8,10-13H2,1-4H3
HMDB42264	TG(14:0/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-55H2,1-3H3/b11-8-,20-17-,32-25-
HMDB42265	TG(14:0/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,37,40,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,32-25-,40-37-
HMDB37657	Proanthocyanidin A5'	[H]OC1=C([H])C(O[H])=C2C(O[C@@]3(OC4=C([H])C(O[H])=C5C(O[C@]([H])(C6=C([H])C([H])=C(O[H])C(O[H])=C6[H])[C@]([H])(O[H])C5([H])[H])=C4[C@@]2([H])[C@]3([H])O[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])=C1[H]	InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27-,29+,30-/m1/s1
HMDB47395	TG(24:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36-37,39,44-45,47-48,62H,4-17,19-20,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b21-18-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB37656	Proanthocyanidin A1	[H]OC1=C([H])C(O[H])=C2C(O[C@]3(OC4=C([H])C(O[H])=C5C(O[C@]([H])(C6=C([H])C([H])=C(O[H])C(O[H])=C6[H])[C@@]([H])(O[H])C5([H])[H])=C4[C@]2([H])[C@@]3([H])O[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])=C1[H]	InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m0/s1
HMDB37653	Gallocatechin-(4alpha-&gt;8)-epicatechin	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C([C@H]1[C@H](O)[C@H](OC3=C1C(O)=CC(O)=C3)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O	InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28-,29-/m1/s1
HMDB37652	Prodelphinidin B	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1	InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2
HMDB37651	Epigallocatechin-(4beta-&gt;8)-catechin	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC=C(O)C(O)=C1	InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2
HMDB56529	CL(16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB37650	Epigallocatechin-(4beta-&gt;8)-epicatechin 3-O-gallate	O[C@H]1[C@H](OC2=C([C@@H]1C1=C(O)C=C(O)C3=C1O[C@@H]([C@@H](C3)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1)C(O)=CC(O)=C2)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(13-4-22(44)31(48)23(45)5-13)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1
HMDB48619	TG(16:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,33,36,52H,4-15,17-18,22,26,28-32,34-35,37-51H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,36-33-
HMDB10733	3-Oxohexadecanoic acid	CCCCCCCCCCCCCC(=O)CC(O)=O	InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h2-14H2,1H3,(H,18,19)
HMDB10732	trans-Tetra-dec-2-enoic acid	CCCCCCCCCCC\C=C\C(O)=O	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)/b13-12+
HMDB10731	(R)-3-Hydroxy-tetradecanoic acid	[H][C@@](O)(CCCCCCCCCCC)CC(O)=O	InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
HMDB10730	3-Oxotetradecanoic acid	CCCCCCCCCCCC(=O)CC(O)=O	InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
HMDB10737	(R)-3-Hydroxy-Octadecanoic acid	[H][C@@](O)(CCCCCCCCCCCCCCC)CC(O)=O	InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
HMDB10736	3-Oxooctadecanoic acid	CCCCCCCCCCCCCCCC(=O)CC(O)=O	InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)
HMDB10735	Trans-Hexa-dec-2-enoic acid	CCCCCCCCCCCCC\C=C\C(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
HMDB10734	(R)-3-Hydroxy-hexadecanoic acid	[H][C@@](O)(CCCCCCCCCCCCC)CC(O)=O	InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
HMDB10738	1-Methylxanthine	CN1C(=O)NC2=C(NC=N2)C1=O	InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
HMDB53369	TG(20:2n6/16:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,31,34,55H,4-13,15,18,20,22,28-30,32-33,35-54H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,34-31-
HMDB13187	3-Hydroxyhexdecanedioyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCCCCCCCCCCC(O)=O	InChI=1S/C37H64N7O20P3S/c1-37(2,32(51)35(52)40-16-15-26(46)39-17-18-68-28(49)19-24(45)13-11-9-7-5-3-4-6-8-10-12-14-27(47)48)21-61-67(58,59)64-66(56,57)60-20-25-31(63-65(53,54)55)30(50)36(62-25)44-23-43-29-33(38)41-22-42-34(29)44/h22-25,30-32,36,45,50-51H,3-21H2,1-2H3,(H,39,46)(H,40,52)(H,47,48)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t24?,25-,30-,31-,32?,36-/m1/s1
HMDB13189	3-Indole carboxylic acid glucuronide	O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CNC3=CC=CC=C23)OC([C@H]1O)C(O)=O	InChI=1S/C15H15NO8/c17-9-10(18)12(13(20)21)23-15(11(9)19)24-14(22)7-5-16-8-4-2-1-3-6(7)8/h1-5,9-12,15-19H,(H,20,21)/t9-,10-,11+,12?,15-/m0/s1
HMDB13188	3-Hydroxypicolinic acid	OC(=O)C1=C(O)C=CC=N1	InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
HMDB46848	TG(22:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,36,39,42,48,51,62H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,51-48-
HMDB03337	Oxidized glutathione	NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O	InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)
HMDB39309	9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one	CC(C)=CCC\C(C)=C\COC1=C2OC=CC2=CC2=C1OC(=O)C=C2	InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
HMDB39308	Peumoside	COC1=CC(O)=C2C(=O)C(OC3OCC(O)C(O)C3O)=C(OC2=C1)C1=CC=C(O)C(OC2OC(C)C(O)C(O)C2O)=C1	InChI=1S/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)41-15-5-10(3-4-12(15)28)24-25(42-26-22(35)19(32)14(30)8-38-26)20(33)17-13(29)6-11(37-2)7-16(17)40-24/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3
HMDB39307	3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=CC(O)=C2)C1O	InChI=1S/C19H20O12/c20-8-3-9(21)5-10(4-8)30-19-17(27)16(26)15(25)13(31-19)6-29-18(28)7-1-11(22)14(24)12(23)2-7/h1-5,13,15-17,19-27H,6H2
HMDB39306	Mangiferin 6'-gallate	OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(C1O)C1=C(O)C=C2OC3=C(C=C(O)C(O)=C3)C(=O)C2=C1O	InChI=1S/C26H22O15/c27-9-3-8-14(4-10(9)28)40-15-5-11(29)17(22(35)18(15)19(8)32)25-24(37)23(36)21(34)16(41-25)6-39-26(38)7-1-12(30)20(33)13(31)2-7/h1-5,16,21,23-25,27-31,33-37H,6H2
HMDB39305	Bacitracin A	CCC(C)[C@H](N)C1=NCC(S1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)C(C)CC	InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-72-32-48(100-66)63(97)80-43(26-34(4)5)59(93)75-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)76-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-73-39)77-60(94)44(27-38-18-13-12-14-19-38)81-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)74-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,73)(H,71,89)(H,74,90)(H,75,93)(H,76,98)(H,77,94)(H,78,96)(H,79,95)(H,80,97)(H,81,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35?,36?,37?,40-,41+,42+,43-,44+,45-,46-,47+,48?,52-,53-,54-/m0/s1
HMDB39304	Epicatechin 3-O-gallate-(4beta-&gt;8)-epigallocatechin 3-O-gallate	OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1)C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H34O21/c45-18-10-23(49)33-31(11-18)62-40(14-1-2-20(46)22(48)3-14)42(65-44(61)17-8-29(55)38(59)30(56)9-17)35(33)34-24(50)13-21(47)19-12-32(63-43(60)16-6-27(53)37(58)28(54)7-16)39(64-41(19)34)15-4-25(51)36(57)26(52)5-15/h1-11,13,32,35,39-40,42,45-59H,12H2
HMDB39303	Epicatechin-(4beta-&gt;8)-epigallocatechin 3-O-gallate	OC1C(OC2=CC(O)=CC(O)=C2C1C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(12-1-2-17(39)19(41)3-12)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)13-4-22(44)31(48)23(45)5-13/h1-9,11,27,30,33-35,38-50H,10H2
HMDB39302	Epicatechin 3-O-gallate-(4beta-&gt;6)-epigallocatechin 3-O-gallate	OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1)C1=C(O)C=C2OC(C(CC2=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H34O21/c45-18-10-22(48)33-31(11-18)63-41(14-1-2-20(46)21(47)3-14)42(65-44(61)17-8-28(54)39(59)29(55)9-17)35(33)34-23(49)13-30-19(36(34)56)12-32(40(62-30)15-4-24(50)37(57)25(51)5-15)64-43(60)16-6-26(52)38(58)27(53)7-16/h1-11,13,32,35,40-42,45-59H,12H2
HMDB39301	Epiafzelechin 3-O-gallate-(4beta-&gt;6)-epigallocatechin 3-O-gallate	OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C2OC(C(CC2=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H34O20/c45-19-3-1-15(2-4-19)41-42(64-44(60)18-9-28(53)39(58)29(54)10-18)35(33-22(47)11-20(46)12-31(33)62-41)34-23(48)14-30-21(36(34)55)13-32(40(61-30)16-5-24(49)37(56)25(50)6-16)63-43(59)17-7-26(51)38(57)27(52)8-17/h1-12,14,32,35,40-42,45-58H,13H2
HMDB39300	3,3'-Di-O-galloylprodelphinidin B5	OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C2OC(C(CC2=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H34O22/c45-17-9-19(46)32-30(10-17)64-41(14-3-23(50)37(58)24(51)4-14)42(66-44(62)16-7-27(54)39(60)28(55)8-16)34(32)33-20(47)12-29-18(35(33)56)11-31(40(63-29)13-1-21(48)36(57)22(49)2-13)65-43(61)15-5-25(52)38(59)26(53)6-15/h1-10,12,31,34,40-42,45-60H,11H2
HMDB03335	IDP	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O	InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1
HMDB28969	Methionyl-Aspartate	CSCCC(NC(=O)C(N)CC(O)=O)C(O)=O	InChI=1S/C9H16N2O5S/c1-17-3-2-6(9(15)16)11-8(14)5(10)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)
HMDB28968	Methionyl-Asparagine	CSCCC(NC(=O)C(N)CC(N)=O)C(O)=O	InChI=1S/C9H17N3O4S/c1-17-3-2-6(9(15)16)12-8(14)5(10)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
HMDB28961	Lysyl-Threonine	CC(O)C(N)C(=O)NC(CCCCN)C(O)=O	InChI=1S/C10H21N3O4/c1-6(14)8(12)9(15)13-7(10(16)17)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)
HMDB28960	Lysyl-Serine	NCCCCC(NC(=O)C(N)CO)C(O)=O	InChI=1S/C9H19N3O4/c10-4-2-1-3-7(9(15)16)12-8(14)6(11)5-13/h6-7,13H,1-5,10-11H2,(H,12,14)(H,15,16)
HMDB28963	Lysyl-Tyrosine	NCCCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C15H23N3O4/c16-8-2-1-3-13(15(21)22)18-14(20)12(17)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)
HMDB28962	Lysyl-Tryptophan	NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)
HMDB28965	Lysyl-Gamma-glutamate	NCCCCC(NC(=O)C(N)CCC(O)=N)C(O)=O	InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)
HMDB28964	Lysyl-Valine	CC(C)C(N)C(=O)NC(CCCCN)C(O)=O	InChI=1S/C11H23N3O3/c1-7(2)9(13)10(15)14-8(11(16)17)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)
HMDB28967	Methionyl-Arginine	CSCCC(NC(=O)C(N)CCCNC(N)=N)C(O)=O	InChI=1S/C11H23N5O3S/c1-20-6-4-8(10(18)19)16-9(17)7(12)3-2-5-15-11(13)14/h7-8H,2-6,12H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15)
HMDB28966	Methionyl-Alanine	CSCCC(NC(=O)C(C)N)C(O)=O	InChI=1S/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
HMDB59176	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB00265	Liothyronine	N[C@@H](CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1)C(O)=O	InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
HMDB59174	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-51,55-58,60-63,67,69-70,73-74,89-91,96H,5-8,12,16-20,29-32,41-43,47,52-54,59,64-66,68,71-72,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB00267	Pyroglutamic acid	OC(=O)[C@@H]1CCC(=O)N1	InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
HMDB11129	LysoPE(0:0/18:0)	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1
HMDB11128	LysoPC(0:0/18:0)	[H][C@@](CO)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
HMDB00262	Thymine	CC1=CNC(=O)NC1=O	InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
HMDB00263	Phosphoenolpyruvic acid	OC(=O)C(=C)OP(O)(O)=O	InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
HMDB11127	1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(Galactosyl-alpha-1-6-Galactosyl-beta-1)-glycerol	[H][C@](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)[C@H](O)C(O)C1O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46?,47?,48?,49?,50-,51-/m1/s1
HMDB00268	Tetrahydrocorticosterone	[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])C2CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14?,15+,16-,17+,19-,20+,21+/m1/s1
HMDB00269	Sphinganine	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1
HMDB11123	trans,cis-Lauro-2,6-dienoyl-CoA	CCCCCC\C=C/C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,12-13,20-22,26-28,32,43-44H,4-8,11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b10-9-,13-12+/t22-,26?,27+,28+,32-/m1/s1
HMDB11122	trans-2-Enoyl-OPC8-CoA	CC\C=C/C[C@@H]1C(=O)CCC1CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H62N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,11,14,23-26,28,32-34,38,50-51H,4,6-8,10,12-13,15-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-,14-11+/t25?,26-,28+,32?,33-,34-,38+/m0/s1
HMDB58889	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58888	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-38,41-45,50-51,53,55,61,63,65,67,82-84,89H,5-20,23-24,29-30,35,39-40,46-49,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB58885	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-40,43-44,46-49,53-55,58-59,61,65-66,70,86-88,93H,5-9,11-13,15-20,24,29-31,36,41-42,45,50-52,56-57,60,62-64,67-69,71-85H2,1-4H3,(H,98,99)(H,100,101)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,53-49-,58-54-,59-55-,65-61-,70-66-/t86?,87-,88-/m1/s1
HMDB58884	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,43-44,46-49,53-55,58-59,61,65-67,70-71,86-88,93H,5-20,24,29-31,36,41-42,45,50-52,56-57,60,62-64,68-69,72-85H2,1-4H3,(H,98,99)(H,100,101)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,53-49-,58-54-,59-55-,65-61-,70-66-,71-67-/t86?,87-,88-/m1/s1
HMDB58887	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58886	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,61,63,65,67,82-84,89H,5-20,23-24,28-30,32,35,39-40,46-49,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB46849	TG(22:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,32-33,58H,4-7,10,13-16,19,22-25,28-31,34-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-
HMDB58880	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,43-48,53-54,57-58,66,70,85-87,92H,5-8,10-12,14-20,23-24,29-30,35-36,41-42,49-52,55-56,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,57-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB58883	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(106-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,42,45-48,51-53,57,59-60,63-65,69,84-86,91H,5-20,24,29-31,36,41,43-44,49-50,54-56,58,61-62,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,51-47-,52-48-,57-53-,63-59-,64-60-,69-65-/t84?,85-,86-/m1/s1
HMDB58882	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,42,44-47,50,52,56,58,62,64,68,83-85,90H,5-20,23-24,29-30,35-36,41,43,48-49,51,53-55,57,59-61,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,50-47-,56-52-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB03332	3-Methoxy-4-Hydroxyphenylglycol sulfate	COC1=C(O)C=CC(=C1)C(CO)OS(O)(=O)=O	InChI=1S/C9H12O7S/c1-15-8-4-6(2-3-7(8)11)9(5-10)16-17(12,13)14/h2-4,9-11H,5H2,1H3,(H,12,13,14)
HMDB59551	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-47,50-52,54-56,62-64,66-68,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,48-49,53,57-61,65,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,54-50-,55-51-,56-52-,66-62-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB59552	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,11-12,15-20,24,28-32,40-42,50-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB03331	1-Methyladenosine	CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N	InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
HMDB57794	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,29-30,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57795	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-37,40-44,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,38-39,45-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB59556	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)83-103-90(95)77-73-69-65-61-57-53-50-47-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-48,51-53,55-57,63-65,67-69,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,49-50,54,58-62,66,70-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,55-51-,56-52-,57-53-,67-63-,68-64-,69-65-/t86?,87-,88-/m1/s1
HMDB59557	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,69-71,73,88-90,95H,5-8,11-12,15-20,24,29-31,36,41-43,51-53,56,60,62-65,68,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB03330	Peroxyacetic acid uroporphyrin III	OOC(=O)CCC1=C(CC(O)=O)\C2=C\C3=C(CC(O)=O)C(CCC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N\C(=C/C1=N2)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O	InChI=1S/C40H38N4O17/c45-33(46)5-1-17-21(9-36(51)52)29-14-27-18(2-6-34(47)48)22(10-37(53)54)30(43-27)15-28-19(3-7-35(49)50)23(11-38(55)56)31(44-28)16-32-24(12-39(57)58)20(4-8-40(59)61-60)26(42-32)13-25(17)41-29/h13-16,41,44,60H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
HMDB57799	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-54,56-58,64,68,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,55,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB58229	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,10,12,14,16-20,24,29-31,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58228	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,67,71,87-89,94H,5-8,10,12,14,16-20,24,29-31,36,40-42,49-53,57,61-66,68-70,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-/t87?,88-,89-/m1/s1
HMDB53239	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-6,8-9,11-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-
HMDB53238	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31-33,38-39,41-42,47,50,59H,4-6,8-9,11-13,15,20,22,24,29-30,34-37,40,43-46,48-49,51-58H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,42-39-,50-47-
HMDB53233	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,38-40,42-44,47,60H,4-6,9,12-15,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB53232	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,38-40,42-43,60H,4-6,9,12-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-
HMDB53231	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-33,37-42,58H,4-6,9,12-15,22-24,29,34-36,43-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-
HMDB53230	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-33,37,39-40,42,58H,4-6,9,12-15,22-24,29,34-36,38,41,43-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,42-39-
HMDB53237	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-28,30-33,37-42,46,49,58H,4-6,8-9,11-15,22-24,29,34-36,43-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-,49-46-
HMDB53236	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB53235	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-45,49,52,62H,4-6,9,12-15,22-24,30-31,37-39,46-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-
HMDB53234	TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,40-45,62H,4-6,9,12-15,22-24,30-31,37-39,46-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-
HMDB10298	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21-22,24-28,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,23,29-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,28-24-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10299	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21-22,24-26,28,33-37,39-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,23,27,29-32,38,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,28-24-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10294	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,23,25,27-28,32-36,38-41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22,24,26,29-31,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,27-23-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB10295	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,24-25,27-28,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-23,26,29-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,28-24-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10296	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,24-25,28,33-37,39-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-23,26-27,29-32,38,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,28-24-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10297	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-36,38-41,45,48,56,60,77-79,84H,5-8,10-12,14-20,24,29-31,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB10290	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21-22,24-26,28,33-37,39-43,46,50,58,62,79-81,86H,5-20,23,27,29-32,38,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,28-24-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10291	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,23,25-28,30,32-33,35-36,38-39,41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22,24,29,31,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,27-23-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB10292	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,24-28,30-31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-23,29,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,28-24-,30-26-,31-27-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10293	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,24-26,28,30,33,35-37,39-40,42-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-23,27,29,31-32,34,38,41,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,28-24-,30-26-,37-33-,40-39-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB48252	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,42,45,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-,45-42-
HMDB48255	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25,27,50H,4-7,9-10,12-14,16,21,23-24,26,28-49H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-
HMDB48254	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,48H,4-6,8-9,11-14,17,21-22,26-47H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-
HMDB48259	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-
HMDB48258	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-30,36,39,52H,4-7,9-10,12-14,16,19,21-23,27,31-35,37-38,40-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,30-29-,39-36-
HMDB03946	(2E)-Tetradecenoyl-CoA	CCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30?,34-/m1/s1
HMDB43789	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,45,48,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,48-45-
HMDB58169	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,44-46,48-50,56-58,60-62,81-83,88H,5-20,24,29-31,36,40-43,47,51-55,59,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,48-44-,49-45-,50-46-,60-56-,61-57-,62-58-/t81?,82-,83-/m1/s1
HMDB52548	TG(18:2(9Z,12Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,27,29-30,32,56H,4-12,14-15,17-19,21,24,26,28,31,33-55H2,1-3H3/b16-13-,23-20-,25-22-,30-27-,32-29-
HMDB52549	TG(18:2(9Z,12Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-33,35,57H,4-15,17-18,21-22,24,26,30,34,36-56H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,32-29-,35-33-
HMDB52542	TG(18:2(9Z,12Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,32-33,35,41,44,57H,4-6,8-9,11-15,17-18,22,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,35-33-,44-41-
HMDB52543	TG(18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,31-32,34,37,40,59H,4-6,8-9,11-15,17-18,22,26-27,30,33,35-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,40-37-
HMDB52540	TG(18:2(9Z,12Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26,28-29,31,35,38,55H,4-7,9-10,12-16,18,23,25,27,30,32-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,29-26-,31-28-,38-35-
HMDB52541	TG(18:2(9Z,12Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,32-33,35,57H,4-6,8-9,11-15,17-18,22,26-27,30-31,34,36-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,35-33-
HMDB52546	TG(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,27-32,56H,4-18,21,24-26,33-55H2,1-3H3/b22-19-,23-20-,30-27-,31-28-,32-29-
HMDB52544	TG(18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,31-32,34,37,40,46,49,59H,4-6,8-9,11-15,17-18,22,26-27,30,33,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,40-37-,49-46-
HMDB52545	TG(18:2(9Z,12Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h19,21-22,24,28,31,56H,4-18,20,23,25-27,29-30,32-55H2,1-3H3/b22-19-,24-21-,31-28-
HMDB59518	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,48-49,51-52,59-60,63-64,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB47373	TG(24:0/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C70H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-44-47-50-53-56-59-62-68(71)74-65-67(76-70(73)64-61-58-55-52-49-46-41-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,41,67H,4-20,22-23,26-27,29,31-40,42-66H2,1-3H3/b24-21-,28-25-,41-30-
HMDB47372	TG(24:0/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,39,65H,4-20,22-23,25,27-28,31-38,40-64H2,1-3H3/b24-21-,29-26-,39-30-
HMDB47371	TG(24:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,37-38,40,46,49,63H,4-20,22-23,25,27-28,31-36,39,41-45,47-48,50-62H2,1-3H3/b24-21-,29-26-,37-30-,40-38-,49-46-
HMDB47370	TG(24:0/18:2(9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,37,63H,4-20,22-23,25,27-28,31-36,38-62H2,1-3H3/b24-21-,29-26-,37-30-
HMDB47377	TG(24:0/18:2(9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,37-38,40,63H,4-16,18-19,22-23,25,27-28,31-36,39,41-62H2,1-3H3/b20-17-,24-21-,29-26-,37-30-,40-38-
HMDB53626	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,33-36,41-42,44-45,50,53,63H,4-6,9,12-14,21-23,30-32,37-40,43,46-49,51-52,54-62H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,53-50-
HMDB47376	TG(24:0/18:2(9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,30,37,62H,4-13,15-16,18-20,22,25,27-29,31-36,38-61H2,1-3H3/b17-14-,24-21-,26-23-,37-30-
HMDB47375	TG(24:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,35-36,41,44,61H,4-17,19,22,24-26,28,30-34,37-40,42-43,45-60H2,1-3H3/b21-18-,23-20-,35-27-,36-29-,44-41-
HMDB47374	TG(24:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29-30,36-37,62H,4-19,22,25-28,31-35,38-61H2,1-3H3/b23-20-,24-21-,36-29-,37-30-
HMDB56088	DG(22:0/0:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h47,50H,3-46H2,1-2H3
HMDB47378	TG(24:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,37-38,40,46,49,63H,4-16,18-19,22-23,25,27-28,31-36,39,41-45,47-48,50-62H2,1-3H3/b20-17-,24-21-,29-26-,37-30-,40-38-,49-46-
HMDB51169	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-32,34,36,38-41,43,56H,4-7,9-10,12-16,19,22-24,29,33,35,37,42,44-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB30948	Dihydrowyerone	CCCCC#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC	InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11H,3-5H2,1-2H3/b11-9-
HMDB51165	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34-35,37,42-43,45-46,60H,4-15,17,20,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB51164	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-36,40-45,58H,4-15,17,20,22-24,30-31,37-39,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB51167	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-15,17,20,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB30949	Wyerone epoxide	CCC1OC1C#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC	InChI=1S/C15H14O5/c1-3-12-14(20-12)8-6-11(16)13-7-4-10(19-13)5-9-15(17)18-2/h4-5,7,9,12,14H,3H2,1-2H3/b9-5-
HMDB51161	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-32,34,36,38-41,43,56H,4-16,19,22-24,29,33,35,37,42,44-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB51160	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,31-33,35,39,41-42,44,57H,4-17,19,22,24,26,30,34,36-38,40,43,45-56H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-,44-41-
HMDB51163	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-36,40,42-43,45,58H,4-15,17,20,22-24,30-31,37-39,41,44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,45-42-
HMDB51162	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,31,33,35,39,41-42,44,57H,4-13,15-16,19-20,22,24,29-30,32,34,36-38,40,43,45-56H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-,44-41-
HMDB30946	(2E,11Z)-Wyerone acid	CC\C=C/C#CC(=O)C1=CC=C(O1)\C=C/C(O)=O	InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8-
HMDB30947	Wyerone	CC\C=C/C#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC	InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9-
HMDB57246	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,36-37,41-42,46,54,58,77-79,84H,5-20,22-24,27-29,31-32,34-35,38-40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57247	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-38,43-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,28-30,32,35-36,39-42,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,47-43-,48-44-,59-55-,60-56-/t79?,80-,81-/m1/s1
HMDB57244	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37,42,46,54,58,77-79,84H,5-20,22-24,27-29,31-32,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB41861	cyanuric acid	OC1=NC(O)=NC(O)=N1	InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
HMDB41860	cocaethylene	CCOC(=O)C1C2CCC(CC1OC(=O)C1=CC=CC=C1)N2C	InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3
HMDB41862	d-glucaro-1,4-lactone	[H][C@@](O)(C(O)=O)[C@@]1([H])OC(=O)[C@]([H])(O)[C@@]1([H])O	InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1
HMDB41865	delta9-tetrahydrocannabinol	CCCCCC1=CC(O)=C2C3C=C(C)CCC3C(C)(C)OC2=C1	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
HMDB41867	demoxepam	OC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1	InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)
HMDB41866	deltamethrin	[H][C@@](OC(=O)[C@]1([H])[C@]([H])(C=C(Br)Br)C1(C)C)(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1	InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
HMDB58049	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-37,39-40,42-43,48,52,60,64,79-81,86H,5-20,22-24,27-29,31-32,34,38,41,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,37-33-,40-39-,42-35-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB41868	desacetylcefotaxime	[H][C@]12SCC(CO)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O	InChI=1S/C14H15N5O6S2/c1-25-18-7(6-4-27-14(15)16-6)10(21)17-8-11(22)19-9(13(23)24)5(2-20)3-26-12(8)19/h4,8,12,20H,2-3H2,1H3,(H2,15,16)(H,17,21)(H,23,24)/b18-7-/t8-,12-/m1/s1
HMDB57243	CL(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,41-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,45-41-,46-42-,57-53-,58-54-/t77?,78-,79-/m1/s1
HMDB57240	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,45,49-50,54,57,61-62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB57241	CL(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25,28,32-33,36,40,44,52,56,75-77,82H,5-20,22-24,26-27,29-31,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB51478	TG(22:1(13Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,35,61H,4-20,22-23,26-27,29,31-34,36-60H2,1-3H3/b24-21-,28-25-,35-30-
HMDB43799	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,46-47,49-50,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-45,48,51-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-,50-47-
HMDB58048	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-37,40-42,46,54,58,77-79,84H,5-20,22-24,27-29,31-32,34,38-39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,40-35-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB55099	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,8,11,13-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-
HMDB55098	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,39-40,42-43,49,52,62H,4-6,8,11,13-15,22-24,30-31,37-38,41,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,52-49-
HMDB55091	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,52-57,66H,4-6,8-9,11-15,22-24,31-33,40-42,49-51,58-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-,57-54-
HMDB55090	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,53-54,56-57,66H,4-6,8-9,11-15,22-24,31-33,40-42,49-52,55,58-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,56-53-,57-54-
HMDB55093	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-8,10-11,13-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-
HMDB55092	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB55095	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,38-39,41,45,48,58H,4-7,10,13-15,22-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-
HMDB55094	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,39,45,48,58H,4-7,10,13-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-
HMDB55097	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-7,10,13-15,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-
HMDB55096	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-7,10,13-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-
HMDB43798	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,47,50,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-46,48-49,51-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,50-47-
HMDB51472	TG(22:1(13Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,43,46,60H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,46-43-
HMDB55051	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33-36,40-41,43-44,49-50,52-53,63H,4-6,8-9,11-14,21-23,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB56678	CL(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-37,40-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27-32,38-39,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,40-35-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB56679	CL(16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-39,43,46,54,58,75-77,82H,5-20,22-24,26-32,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56674	CL(16:0/18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB56675	CL(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-38,41,48,52,73-75,80H,5-20,22-24,26-32,36,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB56676	CL(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38,40,42,50,54,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB51474	TG(22:1(13Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,48,51,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB56670	CL(16:0/18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,33-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56671	CL(16:0/18:1(9Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(84,85)90-66-72(79)67-91-97(86,87)93-71-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB56672	CL(16:0/18:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB56673	CL(16:0/18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25,29,34-39,74-76,81H,5-24,26-28,30-33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB55329	TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,35,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33-34,36-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-32-
HMDB55328	TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-34,36,38-39,41,47,50,60H,4-6,13-15,22-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-
HMDB55327	TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-34,36,38-39,41,60H,4-6,13-15,22-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-
HMDB55326	TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-37,42,45,58H,4-6,13-15,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB55325	TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-37,58H,4-6,13-15,22-24,30-31,35,38-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-
HMDB55324	TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-32,35-36,39,56H,4-6,13-15,22-24,29,33-34,37-38,40-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-
HMDB55323	TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-32,35,56H,4-6,13-15,22-24,29,33-34,36-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-
HMDB55322	TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,39,55H,4-7,10,13-16,19,22-25,28,31-35,37-38,40-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-
HMDB55321	TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,39-40,43,45,48,58H,4-6,13-15,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-
HMDB55320	TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,39-40,43,58H,4-6,13-15,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-
HMDB50782	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,60H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB50783	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,46,60H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-
HMDB50780	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,32,34,37-38,41,58H,4-7,9-10,12-16,19,22-24,30-31,33,35-36,39-40,42-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-
HMDB50781	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,35,38,59H,4-7,9-10,12-14,16,19,21-23,30-34,36-37,39-58H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,38-35-
HMDB50786	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,32,35,38,40-41,43,49,52,62H,4-8,10-11,13-15,17,20,22-24,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,52-49-
HMDB50787	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,32,34,37,58H,4-7,10,13-16,19,22-24,30-31,33,35-36,38-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-
HMDB50784	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,38,41,62H,4-8,10-11,13-15,17,20,22-24,31-37,39-40,42-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB50785	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,32,35,38,40-41,43,62H,4-8,10-11,13-15,17,20,22-24,31,33-34,36-37,39,42,44-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-
HMDB50788	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,32,34,37-38,41,58H,4-7,10,13-16,19,22-24,30-31,33,35-36,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-
HMDB50789	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,60H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB52498	TG(18:2(9Z,12Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35,37,39,43,46,65H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,36,38,40-42,44-45,47-64H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-35-,39-30-,46-43-
HMDB52444	TG(18:2(9Z,12Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,35,57H,4-15,17-18,21-22,24,26-27,30-31,34,36-56H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,35-33-
HMDB55540	TG(20:4(8Z,11Z,14Z,17Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-
HMDB48909	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,32,34,39,42,48,51,60H,4-15,18,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-
HMDB55374	TG(18:4(6Z,9Z,12Z,15Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,53H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-52H2,1-3H3/b11-8-,20-17-,28-26-,36-33-
HMDB40099	5-Methyl-2-pentylthiazole	CCCCCC1=NC=C(C)S1	InChI=1S/C9H15NS/c1-3-4-5-6-9-10-7-8(2)11-9/h7H,3-6H2,1-2H3
HMDB40098	2,5-Dipropylthiazole	CCCC1=CN=C(CCC)S1	InChI=1S/C9H15NS/c1-3-5-8-7-10-9(11-8)6-4-2/h7H,3-6H2,1-2H3
HMDB57789	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,41-42,44-46,50-52,55-56,58,62,64,68,83-85,90H,5-8,10-12,14-20,24,29-31,39-40,43,47-49,53-54,57,59-61,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB57788	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43-45,48-50,54,56-57,60-61,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,46-47,51-53,55,58-59,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-/t81?,82-,83-/m1/s1
HMDB40093	4,5-Dimethyl-2-octylthiazole	CCCCCCCCC1=NC(C)=C(C)S1	InChI=1S/C13H23NS/c1-4-5-6-7-8-9-10-13-14-11(2)12(3)15-13/h4-10H2,1-3H3
HMDB40092	2-Heptyl-4,5-dimethylthiazole	CCCCCCCC1=NC(C)=C(C)S1	InChI=1S/C12H21NS/c1-4-5-6-7-8-9-12-13-10(2)11(3)14-12/h4-9H2,1-3H3
HMDB40091	2-Hexyl-4,5-dimethylthiazole	CCCCCCC1=NC(C)=C(C)S1	InChI=1S/C11H19NS/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3
HMDB40090	5-Ethyl-4-methyl-2-pentylthiazole	CCCCCC1=NC(C)=C(CC)S1	InChI=1S/C11H19NS/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3
HMDB40097	2,5-Diethylthiazole	CCC1=CN=C(CC)S1	InChI=1S/C7H11NS/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3
HMDB40096	5-Ethyl-2-methylthiazole	CCC1=CN=C(C)S1	InChI=1S/C6H9NS/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3
HMDB40095	5-Ethyl-4-methyl-2-octylthiazole	CCCCCCCCC1=NC(C)=C(CC)S1	InChI=1S/C14H25NS/c1-4-6-7-8-9-10-11-14-15-12(3)13(5-2)16-14/h4-11H2,1-3H3
HMDB40094	4-Ethyl-2-heptyl-5-methylthiazole	CCCCCCCC1=NC(CC)=C(C)S1	InChI=1S/C13H23NS/c1-4-6-7-8-9-10-13-14-12(5-2)11(3)15-13/h4-10H2,1-3H3
HMDB06709	Ubiquinone Q2	COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O	InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
HMDB03959	19-Oxotestosterone	[H][C@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16-,17+,18-,19-/m0/s1
HMDB06701	3-O-a-L-Fucopyranosyl-D-glucose	CC1O[C@@H](OC([C@@H](O)C=O)[C@H](O)C(O)CO)[C@@H](O)C(O)C1O	InChI=1S/C12H22O10/c1-4-7(17)9(19)10(20)12(21-4)22-11(6(16)3-14)8(18)5(15)2-13/h3-13,15-20H,2H2,1H3/t4?,5?,6-,7?,8+,9?,10-,11?,12-/m0/s1
HMDB03952	cis,cis-3,6-Dodecadienoyl-CoA	CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,12-11-/t22-,26-,27-,28?,32-/m1/s1
HMDB03950	7-Methylinosine	CN1C=[N+](C2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2	InChI=1S/C11H14N4O5/c1-14-4-15(9-6(14)10(19)13-3-12-9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/p+1/t5-,7-,8-,11?/m1/s1
HMDB06705	Lacto-n-fucopentaose I	C[C@@H]1O[C@@H](OC2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C32H55NO25/c1-8-16(42)21(47)23(49)30(51-8)58-28-22(48)18(44)12(5-36)54-32(28)56-26-15(33-9(2)39)29(52-13(6-37)19(26)45)57-27-20(46)14(7-38)53-31(24(27)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26?,27-,28?,29-,30-,31-,32-/m0/s1
HMDB03956	7a-Hydroxytestosterone	C[C@]12CCC3C(CCC4=C(O)C(=O)CC[C@]34C)C1CC[C@@H]2O	InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11?,12?,13?,16-,18+,19-/m0/s1
HMDB03955	19-Hydroxyandrost-4-ene-3,17-dione	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CO	InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
HMDB06706	Lacto-N-fucopentaose V	C[C@@H]1O[C@@H](OC([C@@H](O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC3O[C@H](CO)[C@@H](O)C(OC4O[C@H](CO)C(O)C(O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)C(O)CO)[C@@H](O)C(O)C1O	InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)55-25(10(40)3-34)26(11(41)4-35)56-32-24(50)28(19(45)14(7-38)54-32)58-29-15(33-9(2)39)27(18(44)13(6-37)52-29)57-31-23(49)21(47)17(43)12(5-36)53-31/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11?,12+,13+,14+,15+,16?,17?,18+,19-,20?,21?,22-,23+,24+,25?,26+,27?,28-,29?,30-,31?,32-/m0/s1
HMDB09418	PE(20:4(8Z,11Z,14Z,17Z)/16:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,39H,3-4,6,8-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-/t39-/m1/s1
HMDB09419	PE(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,39H,3-4,6,8-10,12,15,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-,22-20-/t39-/m1/s1
HMDB09414	PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,35,38,42H,3-10,12,14-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB09415	PE(20:4(8Z,11Z,14Z,17Z)/14:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,37H,3-4,6,8-10,12,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,17-16-,20-19-/t37-/m1/s1
HMDB09416	PE(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,37H,3-4,6,8-9,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-/t37-/m1/s1
HMDB09417	PE(20:4(8Z,11Z,14Z,17Z)/15:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,38H,3-4,6,8-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-/t38-/m1/s1
HMDB09410	PE(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,33,35,47H,3-11,13,15-16,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,29-27-,35-33-/t47-/m1/s1
HMDB09411	PE(20:4(5Z,8Z,11Z,14Z)/P-16:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,33,36,40H,3-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1
HMDB09412	PE(20:4(5Z,8Z,11Z,14Z)/P-18:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,35,38,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB09413	PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,35,38,42H,3-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB30959	(Z)-3-Nonen-1-ol	CCCCC\C=C/CCO	InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-
HMDB30958	(Z)-6-Nonenal	CC\C=C/CCCCC=O	InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3/b4-3-
HMDB30955	Neoherculin	C\C=C/C=C/C=C\CC\C=C\C(=O)NCC(C)C	InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+
HMDB30954	Grewinol	CCCCCCCCCCCCC(O)CCCCCCCCC(=O)CCCCCCCCCCCC	InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-21-25-29-33(35)31-27-23-19-20-24-28-32-34(36)30-26-22-18-16-14-12-10-8-6-4-2/h33,35H,3-32H2,1-2H3
HMDB30957	(3Z,6Z)-3,6-Nonadien-1-ol	CC\C=C/C\C=C/CCO	InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6-
HMDB30956	5-Nonadecyl-1,3-benzenediol	CCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3
HMDB30951	(E,E)-2,4-Decadienoic isobutylamide	CCCCC\C=C/C=C/C(=O)NCC(C)C	InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8-,11-10+
HMDB30950	15,16-Epoxy-9,12-octadecadienoic acid	CCC1OC1C\C=C/C\C=C\CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-16-17(21-16)14-12-10-8-6-4-3-5-7-9-11-13-15-18(19)20/h4,6,10,12,16-17H,2-3,5,7-9,11,13-15H2,1H3,(H,19,20)/b6-4+,12-10-
HMDB04631	Formebolone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C=O)=C[C@]12C	InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
HMDB30952	2-Hexen-1-ol	CCC\C=C\CO	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
HMDB45573	TG(20:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,38,41,47,50,60H,4-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,41-38-,50-47-
HMDB45572	TG(20:0/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,38,41,60H,4-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,33-31-,41-38-
HMDB45571	TG(20:0/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,60H,4-15,17-18,20-24,26-27,29-59H2,1-3H3/b19-16-,28-25-
HMDB45570	TG(20:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,41,44,58H,4-15,17-18,20-24,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,35-33-,44-41-
HMDB45577	TG(20:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,41,44,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,44-41-
HMDB45576	TG(20:0/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-57H2,1-3H3/b10-7-,19-16-,28-25-,35-33-
HMDB45575	TG(20:0/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,30,36,39,56H,4-7,9-10,12-16,18-19,21-25,27-29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,30-26-,39-36-
HMDB45574	TG(20:0/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,30,56H,4-7,9-10,12-16,18-19,21-25,27-29,31-55H2,1-3H3/b11-8-,20-17-,30-26-
HMDB45579	TG(20:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,41-38-,50-47-
HMDB45578	TG(20:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,41-38-
HMDB57259	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-38,42-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,35,39-41,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB57258	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27,29-31,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB49605	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,33,36,57H,4-6,8-9,11-13,15,18,20,22,27,29-32,34-35,37-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,36-33-
HMDB49604	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30,32,35-36,39,56H,4-6,8-9,11-15,18,22-23,27,29,31,33-34,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-
HMDB49607	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33-34,36-37,42,45,58H,4-7,9-10,12-15,18,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB49606	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33-34,36-37,58H,4-7,9-10,12-15,18,22-23,27,30-32,35,38-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-
HMDB49601	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,36,39,60H,4-7,9-10,12-16,18-19,22-23,27,30-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,39-36-
HMDB49600	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,33-34,36-37,42,45,58H,4-7,9-10,12-16,18-19,22-23,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB49603	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,32-33,36,57H,4-6,8-9,11-15,17-18,22,26-27,30-31,34-35,37-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,36-33-
HMDB49602	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,38,41,62H,4-7,9-10,12-16,18-19,22-23,27,30-37,39-40,42-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,41-38-
HMDB49609	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,36,38-39,41,60H,4-7,9-10,12-15,18,22-23,27,30,32,34-35,37,40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-
HMDB49608	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,36,39,60H,4-7,9-10,12-15,18,22-23,27,30-35,37-38,40-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,39-36-
HMDB48908	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB51958	TG(24:1(15Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-
HMDB51959	TG(24:1(15Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,38,41,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,41-38-
HMDB51954	TG(24:1(15Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,38,43,46,60H,4-16,18-19,21-24,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b20-17-,27-25-,28-26-,38-35-,46-43-
HMDB51955	TG(24:1(15Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,62H,4-16,18-19,21-24,29-61H2,1-3H3/b20-17-,27-25-,28-26-
HMDB51956	TG(24:1(15Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,42,62H,4-16,18-19,21-24,29-32,34,36-39,41,43-61H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-40-
HMDB51957	TG(24:1(15Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,35,40,42,48,51,62H,4-16,18-19,21-24,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b20-17-,27-25-,28-26-,35-33-,42-40-,51-48-
HMDB51950	TG(24:1(15Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-34-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,34,59H,4-19,21-22,24,26,29-33,35-58H2,1-3H3/b23-20-,27-25-,34-28-
HMDB51951	TG(24:1(15Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,38,41,58H,4-16,18-19,21-24,28-32,34-37,39-40,42-57H2,1-3H3/b20-17-,27-25-,33-26-,41-38-
HMDB51952	TG(24:1(15Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,59H,4-13,15-16,18-22,24,28-58H2,1-3H3/b17-14-,26-23-,27-25-
HMDB51953	TG(24:1(15Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,38,60H,4-16,18-19,21-24,29-34,36-37,39-59H2,1-3H3/b20-17-,27-25-,28-26-,38-35-
HMDB54477	TG(22:2(13Z,16Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,38,41,47,50,64H,4-8,10-11,13-15,17,20,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB02776	13,14-Dihydro-15-keto-PGE2	CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1
HMDB41050	(3beta,22E,24R)-Ergosta-4,6,8(14),22-tetraen-3-ol	CC(C)C(C)\C=C\C(C)C1CCC2=C3C=CC4=CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,22,24,26,29H,11-16H2,1-6H3/b8-7+
HMDB41051	Alliofuroside A	CC(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C44H72O18/c1-18(16-56-39-36(53)35(52)33(50)28(15-45)59-39)8-11-44(55)19(2)30-27(62-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)60-41-38(32(49)26(47)17-57-41)61-40-37(54)34(51)31(48)20(3)58-40/h6,18-20,22-41,45-55H,7-17H2,1-5H3
HMDB41052	Ajocysteine	NC(CSS\C=C\CS(=O)CC=C)C(O)=O	InChI=1S/C9H15NO3S3/c1-2-5-16(13)6-3-4-14-15-7-8(10)9(11)12/h2-4,8H,1,5-7,10H2,(H,11,12)/b4-3+
HMDB41053	Ustiloxin C	CCC1(C)OC2=CC(C(O)C(NC)C(=O)NC(C)C(=O)NC1C(=O)NCC(O)=O)=C(C=C2O)S(=O)CCO	InChI=1S/C23H34N4O10S/c1-5-23(3)19(22(35)25-10-16(30)31)27-20(33)11(2)26-21(34)17(24-4)18(32)12-8-14(37-23)13(29)9-15(12)38(36)7-6-28/h8-9,11,17-19,24,28-29,32H,5-7,10H2,1-4H3,(H,25,35)(H,26,34)(H,27,33)(H,30,31)
HMDB41054	Ustiloxin D	CCC1(C)OC2=CC(=CC=C2O)C(O)C(NC)C(=O)NC(C(C)C)C(=O)NC1C(=O)NCC(O)=O	InChI=1S/C23H34N4O8/c1-6-23(4)19(22(34)25-10-15(29)30)27-20(32)16(11(2)3)26-21(33)17(24-5)18(31)12-7-8-13(28)14(9-12)35-23/h7-9,11,16-19,24,28,31H,6,10H2,1-5H3,(H,25,34)(H,26,33)(H,27,32)(H,29,30)
HMDB41055	Phytocassane B	CC1C2CCC3C(C)(C)C(O)C(O)C(O)C3(C)C2C(=O)C=C1C=C	InChI=1S/C20H30O4/c1-6-11-9-13(21)15-12(10(11)2)7-8-14-19(3,4)17(23)16(22)18(24)20(14,15)5/h6,9-10,12,14-18,22-24H,1,7-8H2,2-5H3
HMDB41056	Phytocassane A	CC1C2CCC3C(C)(C)C(=O)C(O)CC3(C)C2C(=O)C=C1C=C	InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3
HMDB41057	Phytocassane D	CC1C2CCC3C(C)(C)C(O)C(=O)CC3(C)C2C(=O)C=C1C=C	InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,16-18,23H,1,7-8,10H2,2-5H3
HMDB41058	Phytocassane C	CC1C2CCC3C(C)(C)C(O)CC(O)C3(C)C2C(=O)C=C1C=C	InChI=1S/C20H30O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3
HMDB41059	N-Methoxyspirobrassinol methyl ether	COC1N(OC)C2=C(C=CC=C2)C11CN=C(SC)S1	InChI=1S/C13H16N2O2S2/c1-16-11-13(8-14-12(18-3)19-13)9-6-4-5-7-10(9)15(11)17-2/h4-7,11H,8H2,1-3H3
HMDB46008	TG(20:0/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,35,61H,4-15,17-18,20,22-23,26-27,29,31-34,36-60H2,1-3H3/b19-16-,24-21-,28-25-,35-30-
HMDB46009	TG(20:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,40,43,60H,4-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,43-40-
HMDB31332	Chloromethyl methyl ether	COCCl	InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
HMDB31333	Chloropentafluoroethane	FC(F)(F)C(F)(F)Cl	InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8
HMDB31330	Carbon tetrachloride	ClC(Cl)(Cl)Cl	InChI=1S/CCl4/c2-1(3,4)5
HMDB31331	Chloroacetic acid	OC(=O)CCl	InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
HMDB34120	Lusitanicoside	CC1OC(OCC2OC(OC3=CC=C(CC=C)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C21H30O10/c1-3-4-11-5-7-12(8-6-11)30-21-19(27)17(25)15(23)13(31-21)9-28-20-18(26)16(24)14(22)10(2)29-20/h3,5-8,10,13-27H,1,4,9H2,2H3
HMDB31337	Thiiranebutanenitrile	N#CCCCC1CS1	InChI=1S/C6H9NS/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2
HMDB34122	Aceteugenol	COC1=CC(CC=C)=CC=C1OC(C)=O	InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
HMDB31335	2-Chloro-1-propanol	CC(Cl)CO	InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3
HMDB44710	TG(18:0/15:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,53H,4-15,17-18,20-24,26,28-29,31,33-52H2,1-3H3/b19-16-,27-25-,32-30-
HMDB44711	TG(18:0/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,37,40,53H,4-15,17-18,20-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b19-16-,27-25-,32-30-,40-37-
HMDB31338	5-Oxo-2(5H)-isoxazolepropanenitrile	O=C1ON(CCC#N)C=C1	InChI=1S/C6H6N2O2/c7-3-1-4-8-5-2-6(9)10-8/h2,5H,1,4H2
HMDB31339	1-Cyano-2-hydroxy-3-butene	OC(CC#N)C=C	InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2,5,7H,1,3H2
HMDB34128	Isopropyl nonanoate	CCCCCCCCC(=O)OC(C)C	InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3
HMDB34129	Dehydroneotenone	COC1=CC2=C(OCO2)C=C1C1=COC2=CC3=C(C=CO3)C=C2C1=O	InChI=1S/C19H12O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-8H,9H2,1H3
HMDB44716	TG(18:0/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,32,34,51H,4-6,8-9,11-15,17-18,20-24,26,28-31,33,35-50H2,1-3H3/b10-7-,19-16-,27-25-,34-32-
HMDB44717	TG(18:0/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-52H2,1-3H3/b10-7-,19-16-,27-25-,32-30-
HMDB38814	Scoparin 2''-xyloside	COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)=C2O1	InChI=1S/C27H30O15/c1-38-16-4-9(2-3-10(16)29)15-6-13(32)18-11(30)5-12(31)19(24(18)40-15)25-26(22(36)21(35)17(7-28)41-25)42-27-23(37)20(34)14(33)8-39-27/h2-6,14,17,20-23,25-31,33-37H,7-8H2,1H3
HMDB38815	2',4-Dihydroxy-4',6'-dimethoxy-3'-prenylchalcone	COC1=CC(OC)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1CC=C(C)C	InChI=1S/C22H24O5/c1-14(2)5-11-17-19(26-3)13-20(27-4)21(22(17)25)18(24)12-8-15-6-9-16(23)10-7-15/h5-10,12-13,23,25H,11H2,1-4H3/b12-8+
HMDB38816	2''-O-Acetylisoorientin	CC(=O)OC1C(O)C(O)C(CO)OC1C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C23H22O12/c1-8(25)33-23-21(32)19(30)16(7-24)35-22(23)18-13(29)6-15-17(20(18)31)12(28)5-14(34-15)9-2-3-10(26)11(27)4-9/h2-6,16,19,21-24,26-27,29-32H,7H2,1H3
HMDB38817	2'',6''-Di-O-acetylisoorientin	CC(=O)OCC1OC(C(OC(C)=O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C25H24O13/c1-9(26)35-8-18-21(32)23(34)25(36-10(2)27)24(38-18)20-15(31)7-17-19(22(20)33)14(30)6-16(37-17)11-3-4-12(28)13(29)5-11/h3-7,18,21,23-25,28-29,31-34H,8H2,1-2H3
HMDB38810	Rhamnetin 3-(4-rhamnosylrhamnoside)	COC1=CC(O)=C2C(=O)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)=C(OC2=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C28H32O15/c1-9-18(32)20(34)22(36)27(39-9)42-24-10(2)40-28(23(37)21(24)35)43-26-19(33)17-15(31)7-12(38-3)8-16(17)41-25(26)11-4-5-13(29)14(30)6-11/h4-10,18,20-24,27-32,34-37H,1-3H3
HMDB38811	Alfalone	COC1=CC=C(C=C1)C1=COC2=CC(OC)=C(O)C=C2C1=O	InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-9,18H,1-2H3
HMDB38812	4,4'-Dihydroxy-2',6'-dimethoxychalcone	COC1=CC(O)=CC(OC)=C1C(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C17H16O5/c1-21-15-9-13(19)10-16(22-2)17(15)14(20)8-5-11-3-6-12(18)7-4-11/h3-10,18-19H,1-2H3/b8-5+
HMDB38813	Scoparin 2''-glucoside	COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C2O1	InChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)31)14-6-13(34)18-11(32)5-12(33)19(25(18)41-14)26-27(23(38)21(36)16(7-29)42-26)44-28-24(39)22(37)20(35)17(8-30)43-28/h2-6,16-17,20-24,26-33,35-39H,7-8H2,1H3
HMDB38818	Isoorientin 6''-rhamnoside	CC1OC(OCC2OC(C(O)C(O)C2O)C2=C(O)C3=C(OC(=CC3=O)C3=CC=C(O)C(O)=C3)C=C2O)C(O)C(O)C1O	InChI=1S/C27H30O15/c1-8-19(32)22(35)25(38)27(40-8)39-7-16-20(33)23(36)24(37)26(42-16)18-13(31)6-15-17(21(18)34)12(30)5-14(41-15)9-2-3-10(28)11(29)4-9/h2-6,8,16,19-20,22-29,31-38H,7H2,1H3
HMDB38819	Calendoflaside	COC1=CC(=CC=C1O)C1=C(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3
HMDB33792	Hexadecane	CCCCCCCCCCCCCCCC	InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
HMDB33793	4-Heptenoic acid	CC\C=C/CCC(O)=O	InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3-
HMDB33790	1,2,8-Trihydroxy-3-methylanthraquinone	CC1=CC2=C(C(O)=C1O)C(=O)C1=C(C=CC=C1O)C2=O	InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3
HMDB33791	(E)-3-Hexadecenoic acid	CCCCCCCCCCCC\C=C/CC(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13-
HMDB33796	Physapubescin	CC(C1CC(OC(C)=O)C2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1	InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3
HMDB33797	Olivin	COC1=CC(\C=C(/C)C(=O)C2=C(O)C=C(O)C=C2O)=CC=C1O	InChI=1S/C17H16O6/c1-9(5-10-3-4-12(19)15(6-10)23-2)17(22)16-13(20)7-11(18)8-14(16)21/h3-8,18-21H,1-2H3/b9-5+
HMDB33794	()-2,2,6-Trimethylcyclohexanone	CC1CCCC(C)(C)C1=O	InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
HMDB33795	Quercetin 3-arabinoside	OC[C@@H]1O[C@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O	InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1
HMDB33798	3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone	CC(C)CC(=O)C1=C(O)C=C(O)C=C1O	InChI=1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3
HMDB33799	26-Desglucoavenacoside A	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)(CO)O1	InChI=1S/C45H72O18/c1-19-29-26(62-45(19)13-12-42(3,18-48)63-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)57-41-38(61-40-35(54)33(52)31(50)27(16-46)58-40)36(55)37(28(17-47)59-41)60-39-34(53)32(51)30(49)20(2)56-39/h6,19-20,22-41,46-55H,7-18H2,1-5H3
HMDB58576	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-35,37-38,40,42-43,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,27,29-31,36,39,41,44-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB42653	TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB42652	TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,33-35,37,41,44,56H,4-15,18,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB42651	TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,33,35,41,44,56H,4-15,18,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,35-33-,44-41-
HMDB42650	TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,38-39,41-42,54H,4-15,18,21-23,28-29,34-37,40,43-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42657	TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,38-39,41-42,54H,4-6,8-9,11-15,18,21-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42656	TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,39,42,54H,4-6,8-9,11-15,18,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB42655	TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,36-37,40,52H,4-7,9-10,12-15,18,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB42654	TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,37,40,52H,4-7,9-10,12-15,18,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-
HMDB56230	DG(20:1n9/0:0/20:4n3)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-
HMDB42659	TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB42658	TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB39141	Wyeronic acid	C\C=C\C#CC(=O)C1=CC=C(O1)\C=C/C(O)=O	InChI=1S/C13H10O4/c1-2-3-4-5-11(14)12-8-6-10(17-12)7-9-13(15)16/h2-3,6-9H,1H3,(H,15,16)/b3-2+,9-7-
HMDB39140	Hericenone E	CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CC(=O)C=C(C)C)C(O)=C1C=O	InChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)43-28-31-26-35(42-5)33(37(41)34(31)27-38)23-22-30(4)25-32(39)24-29(2)3/h10-11,13-14,22,24,26-27,41H,6-9,12,15-21,23,25,28H2,1-5H3/b11-10+,14-13+,30-22+
HMDB39143	beta-Doradecin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)C(=O)C(O)=CC1(C)C	InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,27,34,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15-,29-16+,30-19+,31-20-
HMDB39142	Wyerol	CC\C=C/C#CC(O)C1=CC=C(O1)\C=C/C(=O)OC	InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11,13,16H,3H2,1-2H3/b5-4-,11-9-
HMDB39145	Diasarone 2	CCC1C(C)C(C2=C(OC)C(OC)=CC(OC)=C12)C1=C(OC)C=C(OC)C(OC)=C1	InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3
HMDB39144	[4,8'':4'',8''''-Terflavan]-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol	OC1C(O)C2=C(O)C=C(O)C(C3C(O)C(OC4=C(C5C(O)C(OC6=CC(O)=CC(O)=C56)C5=CC=C(O)C=C5)C(O)=CC(O)=C34)C3=CC=C(O)C=C3)=C2OC1C1=CC=C(O)C=C1	InChI=1S/C45H38O16/c46-20-7-1-17(2-8-20)41-38(56)35(30-24(50)13-23(49)14-29(30)59-41)31-25(51)15-26(52)32-36(39(57)42(60-44(31)32)18-3-9-21(47)10-4-18)33-27(53)16-28(54)34-37(55)40(58)43(61-45(33)34)19-5-11-22(48)12-6-19/h1-16,35-43,46-58H
HMDB39147	6-Formylumbelliferone	OC1=CC2=C(C=CC(=O)O2)C=C1C=O	InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H
HMDB39146	Citrubuntin	COC1=C(\C=C\C(C)=C)C=C2C=CC(=O)OC2=C1	InChI=1S/C15H14O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4-9H,1H2,2-3H3/b5-4+
HMDB39149	(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one	CC(C)CC(=O)CC(C)(O)C=C	InChI=1S/C10H18O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5,8,12H,1,6-7H2,2-4H3
HMDB39148	Ganodosterone	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(=O)C4=CC(=O)CCC4(C)C3CCC12C	InChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+
HMDB40879	Phytolaccoside D2	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)56-34-32(28(46)23(45)19-54-34)57-33-31(49)30(48)29(47)24(18-43)55-33/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)
HMDB37476	Neocarthamin	OCC1OC(OC2=C3C(=O)CC(OC3=CC(O)=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2
HMDB37475	4beta-(2-Aminoethylthio)catechin	NCCSC1C(O)C(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C(O)=C1	InChI=1S/C17H19NO6S/c18-3-4-25-17-14-12(22)6-9(19)7-13(14)24-16(15(17)23)8-1-2-10(20)11(21)5-8/h1-2,5-7,15-17,19-23H,3-4,18H2
HMDB37474	4-(Methylthio)butanal	CSCCCC=O	InChI=1S/C5H10OS/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3
HMDB37473	Leptosin	COC1=C2O\C(=C/C3=CC=C(O)C(O)=C3)C(=O)C2=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C22H22O11/c1-30-21-13(32-22-19(29)18(28)17(27)15(8-23)33-22)5-3-10-16(26)14(31-20(10)21)7-9-2-4-11(24)12(25)6-9/h2-7,15,17-19,22-25,27-29H,8H2,1H3/b14-7-
HMDB37472	Vitexin 7-O-glucoside 2''-p-coumarate	OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2C2OC(CO)C(O)C(O)C2OC(=O)\C=C\C2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C36H36O17/c37-13-23-29(45)31(47)35(53-25(43)10-3-15-1-6-17(39)7-2-15)34(50-23)27-22(51-36-32(48)30(46)28(44)24(14-38)52-36)12-20(42)26-19(41)11-21(49-33(26)27)16-4-8-18(40)9-5-16/h1-12,23-24,28-32,34-40,42,44-48H,13-14H2/b10-3+
HMDB37471	2''-O-p-Coumaroylvitexin	OCC1OC(C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1	InChI=1S/C30H26O12/c31-13-22-26(38)27(39)30(42-23(37)10-3-14-1-6-16(32)7-2-14)29(41-22)25-19(35)11-18(34)24-20(36)12-21(40-28(24)25)15-4-8-17(33)9-5-15/h1-12,22,26-27,29-35,38-39H,13H2/b10-3+
HMDB37470	Spinacetin 3-rutinoside	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O	InChI=1S/C29H34O17/c1-9-17(32)21(36)23(38)28(43-9)42-8-15-18(33)22(37)24(39)29(45-15)46-27-20(35)16-14(7-12(31)26(41-3)19(16)34)44-25(27)10-4-5-11(30)13(6-10)40-2/h4-7,9,15,17-18,21-24,28-34,36-39H,8H2,1-3H3
HMDB40871	Capsicoside D	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C62H104O33/c1-22(20-83-54-46(78)41(73)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-56-48(80)43(75)51(35(19-67)89-56)92-59-53(52(40(72)33(17-65)88-59)93-55-45(77)37(69)29(68)21-84-55)94-58-49(81)44(76)50(34(18-66)90-58)91-57-47(79)42(74)39(71)32(16-64)87-57/h22-59,63-82H,5-21H2,1-4H3
HMDB40870	Corossoline	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC1=C(C)COC1=O	InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-21-29(36)20-15-12-11-13-16-22-30-28(2)27-40-35(30)39/h29,31-34,36-38H,3-27H2,1-2H3
HMDB40873	Dimethylstrobochrysin	COC1=C(C)C(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1	InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3
HMDB40872	Protodegalactotigonin	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C56H94O28/c1-21(19-74-49-43(70)39(66)36(63)30(15-57)77-49)7-12-56(73)22(2)34-29(84-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)76-51-45(72)41(68)46(33(18-60)80-51)81-53-48(83-52-44(71)40(67)37(64)31(16-58)78-52)47(38(65)32(17-59)79-53)82-50-42(69)35(62)28(61)20-75-50/h21-53,57-73H,5-20H2,1-4H3
HMDB40875	Isoschaftoside 4'-glucoside	OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C(C2OC(CO)C(O)C(O)C2O)=C(O)C(C2OCC(O)C(O)C2O)=C3O)C(O)C(O)C1O	InChI=1S/C32H38O19/c33-6-14-20(38)24(42)27(45)31(50-14)18-23(41)17(30-26(44)19(37)12(36)8-47-30)22(40)16-11(35)5-13(49-29(16)18)9-1-3-10(4-2-9)48-32-28(46)25(43)21(39)15(7-34)51-32/h1-5,12,14-15,19-21,24-28,30-34,36-46H,6-8H2
HMDB40874	Quinquenoside R1	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C56H94O24/c1-24(2)11-10-15-56(9,80-50-46(71)42(67)39(64)31(77-50)23-73-48-44(69)40(65)36(61)28(20-57)74-48)26-12-17-55(8)35(26)27(60)19-33-53(6)16-14-34(52(4,5)32(53)13-18-54(33,55)7)78-51-47(43(68)37(62)29(21-58)75-51)79-49-45(70)41(66)38(63)30(76-49)22-72-25(3)59/h11,26-51,57-58,60-71H,10,12-23H2,1-9H3
HMDB37479	Xanthohumol	COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1	InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
HMDB37478	4-(2-Aminoethylthio)-3,3',4',5,7-pentahydroxyflavan; (2R,3S,4S)-form, 3-O-(3,4,5-Trihydroxybenzoyl)	NCCSC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C(O)=C1	InChI=1S/C24H23NO10S/c25-3-4-36-23-19-15(29)8-12(26)9-18(19)34-21(10-1-2-13(27)14(28)5-10)22(23)35-24(33)11-6-16(30)20(32)17(31)7-11/h1-2,5-9,21-23,26-32H,3-4,25H2
HMDB39497	Dihydrowyerol	CCCCC#CC(O)C1=CC=C(O1)\C=C/C(=O)OC	InChI=1S/C15H18O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11,13,16H,3-5H2,1-2H3/b11-9-
HMDB32444	Oat gum	OS(O)(=O)=O	InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
HMDB32447	1,5-Octadien-3-one	CC\C=C\CC(=O)C=C	InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5+
HMDB39494	Benzoylmalic acid	OC(=O)CC(OC(=O)C1=CC=CC=C1)C(O)=O	InChI=1S/C11H10O6/c12-9(13)6-8(10(14)15)17-11(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)
HMDB39493	Dihydrowyerone acid	CCCCC#CC(=O)C1=CC=C(O1)\C=C/C(O)=O	InChI=1S/C14H14O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h7-10H,2-4H2,1H3,(H,16,17)/b10-8-
HMDB39492	1,17-Diamino-4,9,13-triazaheptadecane	NCCCCNCCCNCCCCNCCCN	InChI=1S/C14H35N5/c15-7-1-2-9-18-13-6-14-19-11-4-3-10-17-12-5-8-16/h17-19H,1-16H2
HMDB39491	1,18-Diamino-5,9,14-triazaoctadecane	NCCCCNCCCCNCCCNCCCCN	InChI=1S/C15H37N5/c16-8-1-3-10-18-12-5-6-13-20-15-7-14-19-11-4-2-9-17/h18-20H,1-17H2
HMDB39490	Licoricesaponin F3	CC1OC(OC2C(O)C(O)C(OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC6(C)CC(OC6=O)C5(C)CCC43C)C2(C)C)C(O)=O)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H72O19/c1-19-26(49)27(50)32(55)39(61-19)66-36-31(54)29(52)34(38(58)59)65-41(36)67-35-30(53)28(51)33(37(56)57)64-40(35)62-24-12-13-46(6)22(43(24,2)3)11-14-48(8)23(46)10-9-20-21-17-44(4)18-25(63-42(44)60)45(21,5)15-16-47(20,48)7/h9,19,21-36,39-41,49-55H,10-18H2,1-8H3,(H,56,57)(H,58,59)
HMDB01942	Phenylpropanolamine	C[C@@H](N)[C@@H](O)C1=CC=CC=C1	InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1
HMDB01943	Pseudoephedrine	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1	InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
HMDB01940	Triamterene	NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1	InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
HMDB01941	Brompheniramine	CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1	InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
HMDB32449	1-Octene	CCCCCCC=C	InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
HMDB32448	Octanal propyleneglycol acetal	CCCCCCCC1OCC(C)O1	InChI=1S/C11H22O2/c1-3-4-5-6-7-8-11-12-9-10(2)13-11/h10-11H,3-9H2,1-2H3
HMDB39499	1,4-Dideoxy-1,4-imino-D-ribitol	OCC1NCC(O)C1O	InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2
HMDB39498	(6beta,24R)-6-Hydroxystigmast-4-en-3-one	CCC(CCC(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3
HMDB38366	Procyanidin B5	OC1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O	InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21?,26-,28-,29+,30-/m1/s1
HMDB38367	Procyanidin B6	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28+,29-,30-/m1/s1
HMDB38364	(-)-Epigallocatechin 3,5-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1	InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1
HMDB38365	(+)-Gallocatechin	O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
HMDB37789	Crassostrea Secocarotenoid	CC1CC(CC(C)=O)OC1(C)CC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O	InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-35(45-40)26-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)36(42)27-38(9)32(5)23-34(44-38)24-33(6)41/h11-22,32,34-35,43H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+
HMDB37788	xi-2,3-Dihydro-3-methylfuran	CC1COC=C1	InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3
HMDB38360	Theasinensin A	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2
HMDB38361	(-)-Epigallocatechin	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
HMDB37785	3,3',4',5,5',7-Hexahydroxy-2'-methylflavone; 5'-O-(3,4,5-Trihydroxybenzoyl), 3-O-a-L-rhamnopyranoside	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2C)C(O)C(O)C1O	InChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3
HMDB37784	(+)-alpha-Muurolene	CC(C)C1CC=C(C)C2CCC(C)=CC12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3
HMDB37787	xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole	CC1CN=C(C)N1.CC1CNC(C)=N1	InChI=1S/2C5H10N2/c2*1-4-3-6-5(2)7-4/h2*4H,3H2,1-2H3,(H,6,7)
HMDB37786	S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate	CC(=O)SC1=C(C)OCC1	InChI=1S/C7H10O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H2,1-2H3
HMDB30177	Arborinine	COC1=CC2=C(C(O)=C1OC)C(=O)C1=CC=CC=C1N2C	InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
HMDB30176	Norsanguinarine	C1OC2=CC3=C(C=C2O1)C1=C(C=C3)C2=C(C=N1)C1=C(OCO1)C=C2	InChI=1S/C19H11NO4/c1-2-12-11-3-4-15-19(24-9-21-15)14(11)7-20-18(12)13-6-17-16(5-10(1)13)22-8-23-17/h1-7H,8-9H2
HMDB30175	Venoterpine	CC1C(O)CC2=C1C=NC=C2	InChI=1S/C9H11NO/c1-6-8-5-10-3-2-7(8)4-9(6)11/h2-3,5-6,9,11H,4H2,1H3
HMDB37782	Ganoderiol D	CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C30H48O5/c1-18(8-9-24(34)30(7,35)17-31)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31,34-35H,8-17H2,1-7H3
HMDB08732	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30,34,36,46H,6-7,12-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
HMDB08733	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30-31,33-34,36,46H,6-7,12-13,18-19,23,27,29,32,35,37-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-,36-34-/t46-/m1/s1
HMDB08730	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30,34,36,46H,6-7,9,11-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
HMDB08731	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30-31,33-34,36,46H,6-7,9,11-13,18-19,23,27,29,32,35,37-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-,36-34-/t46-/m1/s1
HMDB08736	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,30,32,36,38,48H,6-7,9,11-13,18-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,32-30-,38-36-/t48-/m1/s1
HMDB08737	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,29-32,35-38,48H,6-7,9,11-13,15,17-19,24,26,28,33-34,39-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1
HMDB08734	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,30,32,36,38,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-29,31,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,32-30-,38-36-/t48-/m1/s1
HMDB08735	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,30,32,36,38,48H,6-7,9,11-13,15,17-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,32-30-,38-36-/t48-/m1/s1
HMDB56831	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,51-52,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49-50,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-/t80-,81-/m1/s1
HMDB08738	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,36,38,48H,6-7,9,11-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,38-36-/t48-/m1/s1
HMDB08739	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,35-38,48H,6-7,9,11-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1
HMDB56231	DG(20:1n9/0:0/20:5n3)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-
HMDB36786	Lansic acid	CC(=C)C1CCC(=C)C(CCC2C(C)=CCC(C(C)=C)C2(C)CCC(O)=O)C1(C)CCC(O)=O	InChI=1S/C30H46O4/c1-19(2)23-11-9-21(5)25(29(23,7)17-15-27(31)32)13-14-26-22(6)10-12-24(20(3)4)30(26,8)18-16-28(33)34/h10,23-26H,1,3,5,9,11-18H2,2,4,6-8H3,(H,31,32)(H,33,34)
HMDB36787	alpha,gamma-Onoceradienedione	CC1=CCC2C(C)(C)C(=O)CCC2(C)C1CCC1C(=C)CCC2C(C)(C)C(=O)CCC12C	InChI=1S/C30H46O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-24H,1,9,11-18H2,2-8H3
HMDB36784	6-Hexyltetrahydro-2H-pyran-2-one	CCCCCCC1CCCC(=O)O1	InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
HMDB36785	Erioglaucine A	CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=CC=C1S(O)(=O)=O	InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1
HMDB36782	Diosbulbin G	CC12CC(OC(=O)C1CC1OC(=O)C3CC(O)CC2C13)C1=COC=C1	InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14-16-11(17(21)24-14)4-10(20)5-12(16)19/h2-3,8,10-16,20H,4-7H2,1H3
HMDB36783	Diosbulbinoside F	COC(=O)C1CC(O)CC2C1=C(CC1C(=O)OC(CC21C)C1=COC=C1)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C26H34O12/c1-26-8-17(11-3-4-35-10-11)36-24(33)15(26)7-16(19-13(23(32)34-2)5-12(28)6-14(19)26)37-25-22(31)21(30)20(29)18(9-27)38-25/h3-4,10,12-15,17-18,20-22,25,27-31H,5-9H2,1-2H3
HMDB36780	Diosbulbin F	COC(=O)C1CC(O)CC2C1C(=O)CC1C(=O)OC(CC21C)C1=COC=C1	InChI=1S/C20H24O7/c1-20-8-16(10-3-4-26-9-10)27-19(24)14(20)7-15(22)17-12(18(23)25-2)5-11(21)6-13(17)20/h3-4,9,11-14,16-17,21H,5-8H2,1-2H3
HMDB36781	Diosbulbin H	CCCCOC(=O)C1CC(O)CC2C1C(=O)CC1C(=O)OC(CC21C)C1=COC=C1	InChI=1S/C23H30O7/c1-3-4-6-29-21(26)15-8-14(24)9-16-20(15)18(25)10-17-22(27)30-19(11-23(16,17)2)13-5-7-28-12-13/h5,7,12,14-17,19-20,24H,3-4,6,8-11H2,1-2H3
HMDB36788	beta-Betulenol	CC1(C)CC2C1CC\C(CO)=C/CCC2=C	InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+
HMDB36789	Caryophyllene alpha-oxide	CC12CCC3C(CC3(C)C)C(=C)CCC1O2	InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3
HMDB48840	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,31,34,40,43,55H,4-13,15,18,20,22,28-30,32-33,35-39,41-42,44-54H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,34-31-,43-40-
HMDB48841	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,41,44,56H,4-15,18,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB56834	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB33410	Theasaponin E1	C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C	InChI=1S/C59H90O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-51-40(72)38(70)37(69)30(19-60)80-51)42(41(73)43(83-53)48(74)75)82-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50/h10-11,22,27-47,50-53,60,62,64-73H,12-21,23H2,1-9H3,(H,74,75)/b24-10-
HMDB33412	Gibberellin A20; 13-O-b-D-Glucopyranoside	CC12CCCC3(OC1=O)C1CCC4(CC1(CC4=C)C(C23)C(O)=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C25H34O10/c1-11-8-23-10-24(11,34-20-17(29)16(28)15(27)12(9-26)33-20)7-4-13(23)25-6-3-5-22(2,21(32)35-25)18(25)14(23)19(30)31/h12-18,20,26-29H,1,3-10H2,2H3,(H,30,31)
HMDB36438	Fasciculic acid B	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3	InChI=1S/C36H60O9/c1-20(10-13-26(37)32(4,5)43)21-14-15-35(8)22-11-12-25-31(2,3)30(42)24(45-29(41)19-33(6,44)18-28(39)40)17-34(25,7)23(22)16-27(38)36(21,35)9/h20-21,24-27,30,37-38,42-44H,10-19H2,1-9H3,(H,39,40)
HMDB36439	Fasciculic acid A	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3	InChI=1S/C36H60O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,30,37,41-43H,10-20H2,1-9H3,(H,38,39)
HMDB36434	Lucidenic acid E2	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35)
HMDB36435	Lucidenic acid D2	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C29H38O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18,25H,8-13H2,1-7H3,(H,34,35)
HMDB36436	Lucidenic acid F	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-15,18H,7-13H2,1-6H3,(H,32,33)
HMDB36437	Methyl lucidenate F	COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C28H38O6/c1-15(8-9-22(33)34-7)16-12-21(32)28(6)24-17(29)13-19-25(2,3)20(31)10-11-26(19,4)23(24)18(30)14-27(16,28)5/h15-16,19H,8-14H2,1-7H3
HMDB36430	Momordicoside K	COC(C)(C)\C=C\CC(C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O	InChI=1S/C37H60O9/c1-21(10-9-14-33(2,3)44-8)22-13-15-36(7)31-25(45-32-30(43)29(42)28(41)26(19-38)46-32)18-24-23(11-12-27(40)34(24,4)5)37(31,20-39)17-16-35(22,36)6/h9,14,18,20-23,25-32,38,40-43H,10-13,15-17,19H2,1-8H3/b14-9+
HMDB36431	1,3,9-Trimethyluric acid	CN1C(=O)NC2=C1N(C)C(=O)N(C)C2=O	InChI=1S/C8H10N4O3/c1-10-5-4(9-7(10)14)6(13)12(3)8(15)11(5)2/h1-3H3,(H,9,14)
HMDB36432	Isobutyl salicylate	CC(C)COC(=O)C1=C(O)C=CC=C1	InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
HMDB36433	(3beta,24xi)-Cycloart-25-ene-3,24,27-triol	CC(CCC(O)C(=C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H50O3/c1-19(7-8-22(32)20(2)17-31)21-11-13-28(6)24-10-9-23-26(3,4)25(33)12-14-29(23)18-30(24,29)16-15-27(21,28)5/h19,21-25,31-33H,2,7-18H2,1,3-6H3
HMDB34461	Heptyl heptanoate	CCCCCCCOC(=O)CCCCCC	InChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3
HMDB34460	Heptyl butanoate	CCCCCCCOC(=O)CCC	InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
HMDB34463	Austin	CC1OC(=O)C23C(=C)C(C)(OC(=O)C12O)C(OC(C)=O)C1=C(C)C2(CCC31C)C=CC(=O)OC2(C)C	InChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3
HMDB34462	Heptyl 4-hydroxybenzoate	CCCCCCCOC(=O)C1=CC=C(O)C=C1	InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3
HMDB34465	2-Methyl-2-buten-1-ol	C\C=C(/C)CO	InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+
HMDB34464	Austinol	CC1OC(=O)C23C(=C)C(C)(OC(=O)C12O)C(O)C1=C(C)C2(CCC31C)C=CC(=O)OC2(C)C	InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3
HMDB46826	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,34,37-38,41,43,46,52,55,64H,4-8,10-11,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB34466	Acetoxyacetone	CC(=O)COC(C)=O	InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
HMDB34469	2-Phenylpropyl butyrate	CCCC(=O)OCC(C)C1=CC=CC=C1	InChI=1S/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
HMDB46829	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB58703	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-47-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB51315	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-36,40-45,58H,4-6,8,11,13-15,17,20,22-24,30-31,37-39,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB33932	Cinnatriacetin A	OC(=O)CCC\C=C/CC#CC#CC#CCOC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C23H20O5/c24-21-16-13-20(14-17-21)15-18-23(27)28-19-11-9-7-5-3-1-2-4-6-8-10-12-22(25)26/h4,6,13-18,24H,2,8,10,12,19H2,(H,25,26)/b6-4-,18-15+
HMDB33933	Lauric aldehyde	CCCCCCCCCCCC=O	InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
HMDB33930	Angelicin	O=C1OC2=C3C=COC3=CC=C2C=C1	InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
HMDB36727	ent-16-Kauren-19-ol	CC1(CO)CCCC2(C)C3CCC4CC3(CC4=C)CCC12	InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3
HMDB33936	3,3'-Bisjuglone	OC1=CC=CC2=C1C(=O)C(=CC2=O)C1=CC(=O)C2=C(C(O)=CC=C2)C1=O	InChI=1S/C20H10O6/c21-13-5-1-3-9-15(23)7-11(19(25)17(9)13)12-8-16(24)10-4-2-6-14(22)18(10)20(12)26/h1-8,21-22H
HMDB33937	Isoginkgetin	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=CC(=CC=C1OC)C1=CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33-36H,1-2H3
HMDB15352	Ketamine	CNC1(CCCCC1=O)C1=CC=CC=C1Cl	InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
HMDB15353	Budesonide	[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
HMDB15350	Dantrolene	[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=NN1CC(=O)NC1=O	InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
HMDB15351	Rifaximin	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O	InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
HMDB15356	Enoxaparin	CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O	InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
HMDB15357	Mivacurium	COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC	InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1
HMDB15354	Aminophylline	NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O	InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
HMDB46036	TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,32,34,40,43,61H,4-14,17,20-23,26,29-31,33,35-39,41-42,44-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,34-32-,43-40-
HMDB15358	Levomethadyl Acetate	CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1
HMDB15359	Encainide	COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C	InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)
HMDB46035	TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-
HMDB46034	TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,32,34-35,40,43,61H,4-15,17-18,20,22-23,26-27,29,31,33,36-39,41-42,44-60H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,35-30-,43-40-
HMDB51313	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-32,34,36,38-41,43,56H,4-7,10,13-16,19,22-24,29,33,35,37,42,44-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-
HMDB46033	TG(20:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,39,45,48,66H,4-16,18-19,21-24,27,30-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,28-25-,29-26-,39-35-,48-45-
HMDB46032	TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,64H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-
HMDB46031	TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-15,17-18,20-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-
HMDB46030	TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,32,35,41,44,62H,4-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,44-41-
HMDB15688	Sulfamoxole	CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1	InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)
HMDB15689	Antazoline	C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1	InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
HMDB51310	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,37-38,41-43,45-46,60H,4-8,10-11,13-15,17,20,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB15680	Nonoxynol-9	CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1	InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
HMDB15681	Plerixafor	C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1	InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
HMDB15682	Plicamycin	CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O	InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1
HMDB15684	Diloxanide	CN(C(=O)C(Cl)Cl)C1=CC=C(OC(=O)C2=CC=CO2)C=C1	InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3
HMDB15685	Azidocillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O	InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1
HMDB15686	Pipazethate	O=C(OCCOCCN1CCCCC1)N1C2=CC=CC=C2SC2=C1N=CC=C2	InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2
HMDB15687	Salicylamide	NC(=O)C1=CC=CC=C1O	InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
HMDB39969	Gnemonol A	OC1=CC=C(C=C1)C1OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=C2C1C1=C(C(C3)C2=CC=C(O)C=C2O)C(O)=CC(O)=C1	InChI=1S/C42H32O10/c43-22-5-1-19(2-6-22)41-36(21-11-25(46)13-26(47)12-21)38-31-17-29(28-10-9-24(45)15-32(28)49)37-30(14-27(48)16-33(37)50)40-39(31)35(18-34(38)51-41)52-42(40)20-3-7-23(44)8-4-20/h1-16,18,29,36,40-50H,17H2
HMDB39968	Brevetoxin B4b	CCCCCCCCCCCCCCCC(=O)NC(CS(=O)CC(CO)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C)C(O)=O	InChI=1S/C69H109NO18S/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-60(73)70-45(64(75)76)40-89(77)39-43(38-71)30-44-31-54(72)69(8)58(78-44)33-50-51(85-69)32-49-46(79-50)23-22-26-65(4)59(82-49)37-68(7)57(86-65)35-56-66(5,88-68)27-25-47-62(84-56)41(2)28-48-53(80-47)36-67(6)55(81-48)34-52-63(87-67)42(3)29-61(74)83-52/h22-23,29,41,43-59,62-63,71-72H,9-21,24-28,30-40H2,1-8H3,(H,70,73)(H,75,76)/b23-22-
HMDB39967	Brevetoxin B4a	CCCCCCCCCCCCCC(=O)NC(CS(=O)CC(CO)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C)C(O)=O	InChI=1S/C67H105NO18S/c1-9-10-11-12-13-14-15-16-17-18-19-22-58(71)68-43(62(73)74)38-87(75)37-41(36-69)28-42-29-52(70)67(8)56(76-42)31-48-49(83-67)30-47-44(77-48)21-20-24-63(4)57(80-47)35-66(7)55(84-63)33-54-64(5,86-66)25-23-45-60(82-54)39(2)26-46-51(78-45)34-65(6)53(79-46)32-50-61(85-65)40(3)27-59(72)81-50/h20-21,27,39,41-57,60-61,69-70H,9-19,22-26,28-38H2,1-8H3,(H,68,71)(H,73,74)/b21-20-
HMDB39966	Malvidin 3-glucoside-4-vinylguaiacol	COC1=CC(=CC=C1O)C1=CC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=[O+]C3=C2C(O1)=CC(O)=C3)C1=CC(OC)=C(O)C(OC)=C1	InChI=1S/C32H30O14/c1-40-19-6-13(4-5-17(19)35)18-11-16-25-20(43-18)9-15(34)10-21(25)44-30(14-7-22(41-2)26(36)23(8-14)42-3)31(16)46-32-29(39)28(38)27(37)24(12-33)45-32/h4-11,24,27-29,32-33,37-39H,12H2,1-3H3,(H2-,34,35,36)/p+1/t24-,27-,28+,29-,32+/m1/s1
HMDB39965	S-Propyl 2-propene-1-sulfinothioate	CCCSS(=O)CC=C	InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4H,2-3,5-6H2,1H3
HMDB39964	beta-D-Glucopyranosyl-11-hydroxyjasmonic acid	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\CC1C(CC(O)=O)CCC1=O	InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2+
HMDB39963	N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine	OC1=CC=C(\C=C\C(=O)NCCCN(CCCCN(CCCNC(=O)\C=C\C2=CC=C(O)C=C2)C(=O)\C=C\C2=CC=C(O)C=C2)C(=O)\C=C\C2=CC=C(O)C=C2)C=C1	InChI=1S/C46H50N4O8/c51-39-17-5-35(6-18-39)13-25-43(55)47-29-3-33-49(45(57)27-15-37-9-21-41(53)22-10-37)31-1-2-32-50(46(58)28-16-38-11-23-42(54)24-12-38)34-4-30-48-44(56)26-14-36-7-19-40(52)20-8-36/h5-28,51-54H,1-4,29-34H2,(H,47,55)(H,48,56)/b25-13+,26-14+,27-15+,28-16+
HMDB39962	N1,N5,N10-Tris-trans-p-coumaroylspermine	NCCCN(CCCCN(CCCNC(=O)\C=C\C1=CC=C(O)C=C1)C(=O)\C=C\C1=CC=C(O)C=C1)C(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C37H44N4O6/c38-23-3-27-40(36(46)21-12-30-7-16-33(43)17-8-30)25-1-2-26-41(37(47)22-13-31-9-18-34(44)19-10-31)28-4-24-39-35(45)20-11-29-5-14-32(42)15-6-29/h5-22,42-44H,1-4,23-28,38H2,(H,39,45)/b20-11+,21-12+,22-13+
HMDB39961	Passiedulin	OCC1OC(OC(C#N)C2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2
HMDB39960	3-O-Caffeoyl-4-O-methylquinic acid	COC1=C(O)C=CC(\C=C/C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=C1	InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3-
HMDB51311	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB07139	DG(16:1(9Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,26,28,37,40H,3-13,15,19,21,23-25,27,29-36H2,1-2H3/b16-14-,18-17-,22-20-,28-26-/t37-/m0/s1
HMDB07138	DG(16:1(9Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,37,40H,3-10,12,15,19-36H2,1-2H3/b13-11-,16-14-,18-17-/t37-/m0/s1
HMDB29382	Genomorphine	CN1(=O)CCC23C4OC5=C(O)C=CC(CC1C2C=CC4O)=C35	InChI=1S/C17H19NO4/c1-18(21)7-6-17-10-3-5-13(20)16(17)22-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
HMDB29383	Chlorogenoquinone	OC1CC(O)(CC(OC(=O)\C=C/C2=CC(=O)C(=O)C=C2)C1O)C(O)=O	InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2-
HMDB29381	6-O-Methylcodeine	COC1C=CC2C3CC4=C5C(OC1C25CCN3C)=C(OC)C=C4	InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3
HMDB29386	Indicaxanthin	OC(=O)C1C\C(=C/C=[N+]2\CCCC2C([O-])=O)C=C(N1)C(O)=O	InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)
HMDB29387	L-3-Aminodihydro-2(3H)-furanone	NC1CCOC1=O	InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
HMDB29384	4-Hydroxycitrulline	NC(CC(O)CNC(N)=O)C(O)=O	InChI=1S/C6H13N3O4/c7-4(5(11)12)1-3(10)2-9-6(8)13/h3-4,10H,1-2,7H2,(H,11,12)(H3,8,9,13)
HMDB29388	Cucurbic acid	CC\C=C\CC1C(O)CCC1CC(O)=O	InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3+
HMDB29389	(+)-threo-2-Amino-3,4-dihydroxybutanoic acid	NC(C(O)CO)C(O)=O	InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)
HMDB07135	DG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,22,24,35,38H,3-4,6,8-10,12,15,19-21,23,25-34H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,24-22-/t35-/m0/s1
HMDB07134	DG(16:1(9Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,35,38H,3-4,6,8-10,12,15,19-34H2,1-2H3/b7-5-,13-11-,16-14-,18-17-/t35-/m0/s1
HMDB44769	TG(18:0/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,54H,4-6,8-9,11-15,17-18,20-24,26-27,29-53H2,1-3H3/b10-7-,19-16-,28-25-
HMDB44768	TG(18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25,28,30-31,36,39,45,48,58H,4-15,17-18,20-24,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,28-25-,31-30-,39-36-,48-45-
HMDB07957	PC(15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,43H,6-7,9,11-13,15,17-19,22,25,27,29-42H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-/t43-/m1/s1
HMDB45038	TG(18:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,40,43,49,52,62H,4-15,17-18,20-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB45039	TG(18:0/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,32,58H,4-7,9-10,12-16,18-19,21-24,27,29-31,33-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-
HMDB45032	TG(18:0/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,32,38,41,58H,4-16,18-19,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b20-17-,28-25-,32-26-,41-38-
HMDB45033	TG(18:0/22:1(13Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,59H,4-13,15-16,18-22,24,27,29-58H2,1-3H3/b17-14-,26-23-,28-25-
HMDB45030	TG(18:0/22:1(13Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-
HMDB45031	TG(18:0/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,34,59H,4-19,21-22,24,26-27,30-33,35-58H2,1-3H3/b23-20-,28-25-,34-29-
HMDB45036	TG(18:0/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,62H,4-15,17-18,20-24,27,30-61H2,1-3H3/b19-16-,28-25-,29-26-
HMDB45037	TG(18:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,40,43,62H,4-15,17-18,20-24,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,43-40-
HMDB45034	TG(18:0/22:1(13Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,60H,4-16,18-19,21-24,27,30-34,36-37,39-59H2,1-3H3/b20-17-,28-25-,29-26-,38-35-
HMDB45035	TG(18:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,38,44,47,60H,4-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,28-25-,29-26-,38-35-,47-44-
HMDB00845	Neopterin	NC1=NC2=C(N=C(C=N2)C(O)C(O)CO)C(=O)N1	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)
HMDB00847	Pelargonic acid	CCCCCCCCC(O)=O	InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
HMDB00840	Salicyluric acid	OC(=O)CNC(=O)C1=CC=CC=C1O	InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
HMDB00841	N-Acetylgalactosamine 6-sulfate	CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)COS(O)(=O)=O	InChI=1S/C8H15NO9S/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H,15,16,17)/t5-,6+,7+,8-/m0/s1
HMDB00842	Quinaldic acid	OC(=O)C1=NC2=CC=CC=C2C=C1	InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
HMDB00843	N-Acetylgalactosamine 4,6-disulfate	CC(=O)N[C@H]1C(O)O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1O	InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8?/m1/s1
HMDB00848	Stearoylcarnitine	CCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3
HMDB00849	Rhamnose	C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1
HMDB44763	TG(18:0/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,22,25,55H,4-12,14-15,17-21,23-24,26-54H2,1-3H3/b16-13-,25-22-
HMDB44762	TG(18:0/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,54H,4-15,17-18,20-24,26-27,29-33,35-36,38-53H2,1-3H3/b19-16-,28-25-,37-34-
HMDB14559	Ampicillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O	InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
HMDB14558	Acetohexamide	CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1	InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
HMDB14553	Remoxipride	CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC	InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
HMDB14552	Loxapine	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2	InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
HMDB14551	Ardeparin	CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O	InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
HMDB14550	Gentian Violet	CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C	InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
HMDB14557	Pramipexole	CCCN[C@H]1CCC2=C(C1)SC(N)=N2	InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
HMDB14555	Carbachol	[Cl-].C[N+](C)(C)CCOC(N)=O	InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
HMDB14554	Mupirocin	C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O	InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
HMDB54635	TG(22:2(13Z,16Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,33,39,42,59H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-,42-39-
HMDB11692	Cytidine 2'-phosphate	NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8?/m1/s1
HMDB11691	Cytidine 2',3'-cyclic phosphate	NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12	InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1
HMDB11690	7-Aminomethyl-7-carbaguanine	NCC1=CNC2=C1C(=O)NC(N)=N2	InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
HMDB11697	SM(d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b40-38+/t45-,46+/m0/s1
HMDB11696	SM(d17:1/24:1(15Z))	CCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h20-21,37,39,44-45,49H,6-19,22-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/p+1/b21-20-,39-37+/t44-,45+/m0/s1
HMDB11695	SM(d17:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCC	InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/p+1/b39-37+/t44-,45+/m0/s1
HMDB11694	SM(d16:1/24:1(15Z))	CCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H89N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h19-20,36,38,43-44,48H,6-18,21-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/p+1/b20-19-,38-36+/t43-,44+/m0/s1
HMDB11699	SM(d19:1/24:1(15Z))	CCCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H95N2O6P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(52)49-46(45-56-57(53,54)55-44-43-50(3,4)5)47(51)41-39-37-35-33-31-29-21-19-17-15-13-11-9-7-2/h20,22,39,41,46-47,51H,6-19,21,23-38,40,42-45H2,1-5H3,(H-,49,52,53,54)/p+1/b22-20-,41-39+/t46-,47+/m0/s1
HMDB11698	SM(d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C49H99N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h40,42,47-48,52H,6-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/p+1/b42-40+/t47-,48+/m0/s1
HMDB52173	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,40,48,51,66H,4-17,19-20,22-24,30-39,41-47,49-50,52-65H2,1-3H3/b21-18-,28-25-,29-26-,40-27-,51-48-
HMDB52172	TG(24:1(15Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-39-42-45-48-51-54-57-63(65)68-61-62(60-67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)69-64(66)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,36,62H,4-19,21-22,24,26-27,30-35,37-61H2,1-3H3/b23-20-,28-25-,36-29-
HMDB52171	TG(24:1(15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35,37,39,42,45,51,54,65H,4-7,9-10,12-16,18-19,22-23,27,31-34,36,38,40-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-35-,39-30-,45-42-,54-51-
HMDB52170	TG(24:1(15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35,37,39,42,45,65H,4-7,9-10,12-16,18-19,22-23,27,31-34,36,38,40-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-35-,39-30-,45-42-
HMDB52177	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,39,44,47,62H,4-16,19,22-24,30-35,38,40-43,45-46,48-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-
HMDB52176	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,35,43,46,61H,4-13,15-16,19-20,22,24,29-34,36-42,44-45,47-60H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,35-27-,46-43-
HMDB52175	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,34-35,40,42-43,45,60H,4-16,19,22-24,29-33,36-39,41,44,46-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,45-42-
HMDB52174	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,35-36,43,46,61H,4-17,19,22,24,26,30-34,37-42,44-45,47-60H2,1-3H3/b21-18-,23-20-,28-25-,35-27-,36-29-,46-43-
HMDB52179	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,46,49,64H,4-16,19,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-,49-46-
HMDB52178	TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,39,44-45,47-48,62H,4-16,19,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB48152	TG(14:1(9Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31,33-35,37,56H,4-14,21-23,28,30,32,36,38-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-
HMDB48153	TG(14:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31,33-35,37,43,46,56H,4-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-
HMDB48150	TG(14:1(9Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,38,41,54H,4-14,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB56304	DG(18:3n6/0:0/18:4n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,37,40H,3-4,6,8-10,15-16,21-22,27-36H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-
HMDB48151	TG(14:1(9Z)/20:3n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,33,35,56H,4-14,21-23,28-32,34,36-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,35-33-
HMDB56305	DG(18:3n6/0:0/20:4n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27,39,42H,3-4,6,8-10,15-16,20,23,26,28-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-
HMDB48156	TG(14:1(9Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,54H,4-6,8-9,11-14,21-23,28-29,34-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB56306	DG(18:3n6/0:0/20:5n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27-28,30,39,42H,3-4,6,8-10,15-16,20,23,26,29,31-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-
HMDB48157	TG(14:1(9Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,38,41,54H,4-6,8-9,11-14,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB56307	DG(18:3n6/0:0/22:5n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,41,44H,3-4,6,8-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-
HMDB48154	TG(14:1(9Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,52H,4-7,9-10,12-14,21-23,27,30,32-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-
HMDB56300	DG(18:3n6/0:0/22:2n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,27,29,41,44H,3-10,15-16,20-22,24-26,28,30-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-,29-27-
HMDB48155	TG(14:1(9Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,33,36,52H,4-7,9-10,12-14,21-23,27,30,32,34-35,37-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-
HMDB56301	DG(18:3n6/0:0/22:4n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,41,44H,3-10,15-16,20,24-25,30-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-
HMDB56302	DG(18:3n6/0:0/22:5n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,41,44H,3-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-
HMDB56303	DG(18:3n6/0:0/18:3n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,37,40H,3-4,6,8-10,15-16,21-23,25,27-36H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-
HMDB13028	Nonanoyl-CoA	CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25?,29-/m1/s1
HMDB13029	Noradrenochrome o-semiquinone	[O]C1=C(O)C=C2NCC(O)C2=C1	InChI=1S/C8H8NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,11-12H,3H2
HMDB13022	Neuromedin N	CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O	InChI=1S/C32H51N5O7/c1-7-19(5)26(33)31(42)37-15-9-10-25(37)29(40)34-23(17-21-11-13-22(38)14-12-21)28(39)36-27(20(6)8-2)30(41)35-24(32(43)44)16-18(3)4/h11-14,18-20,23-27,38H,7-10,15-17,33H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)(H,43,44)/t19-,20-,23+,24+,25+,26-,27-/m1/s1
HMDB13023	Neurotensin 1-10	CC(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O	InChI=1S/C57H90N18O16/c1-30(2)27-38(71-47(82)34-18-20-44(78)66-34)49(84)72-39(28-31-14-16-32(76)17-15-31)50(85)67-35(19-21-45(79)80)48(83)73-40(29-43(59)77)51(86)70-36(9-3-4-22-58)53(88)74-25-7-12-41(74)52(87)68-33(10-5-23-64-56(60)61)46(81)69-37(11-6-24-65-57(62)63)54(89)75-26-8-13-42(75)55(90)91/h14-17,30,33-42,76H,3-13,18-29,58H2,1-2H3,(H2,59,77)(H,66,78)(H,67,85)(H,68,87)(H,69,81)(H,70,86)(H,71,82)(H,72,84)(H,73,83)(H,79,80)(H,90,91)(H4,60,61,64)(H4,62,63,65)/t33-,34+,35+,36+,37+,38+,39-,40+,41-,42-/m0/s1
HMDB13020	Neuromedin C	CSCC[C@@H](NC(=O)C(CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=O	InChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33+,34?,35+,36-,37-,38+,42+/m0/s1
HMDB13021	Neuromedin N (1-4)	CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]([C@H](C)CC)C(O)=O	InChI=1S/C26H40N4O6/c1-5-15(3)21(27)25(34)30-13-7-8-20(30)24(33)28-19(14-17-9-11-18(31)12-10-17)23(32)29-22(26(35)36)16(4)6-2/h9-12,15-16,19-22,31H,5-8,13-14,27H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t15-,16-,19+,20+,21-,22-/m1/s1
HMDB13024	Neurotensin 11-13	CCC(C)[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CC(C)C)C(O)=O	InChI=1S/C21H33N3O5/c1-5-13(4)18(20(27)23-17(21(28)29)10-12(2)3)24-19(26)16(22)11-14-6-8-15(25)9-7-14/h6-9,12-13,16-18,25H,5,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t13?,16-,17-,18+/m1/s1
HMDB13025	6,9,12,15,18,21-Tetracosahexaenoic acid	CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCCC([O-])=O	InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/p-1/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
HMDB07018	DG(14:0/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,33,36H,3-4,6,8-10,12,14-15,18-32H2,1-2H3/b7-5-,13-11-,17-16-/t33-/m0/s1
HMDB07019	DG(14:0/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20,22,33,36H,3-4,6,8-10,12,14-15,18-19,21,23-32H2,1-2H3/b7-5-,13-11-,17-16-,22-20-/t33-/m0/s1
HMDB07016	DG(14:0/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,33,36H,3-10,12,14-15,18-32H2,1-2H3/b13-11-,17-16-/t33-/m0/s1
HMDB07017	DG(14:0/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,20,22,33,36H,3-10,12,14-15,18-19,21,23-32H2,1-2H3/b13-11-,17-16-,22-20-/t33-/m0/s1
HMDB07014	DG(14:0/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h13,15,33,36H,3-12,14,16-32H2,1-2H3/b15-13-/t33-/m0/s1
HMDB07015	DG(14:0/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,33,36H,3-15,18-32H2,1-2H3/b17-16-/t33-/m0/s1
HMDB07012	DG(14:0/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,31,34H,3-12,14,16-30H2,1-2H3/b15-13-/t31-/m0/s1
HMDB07013	DG(14:0/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
HMDB07010	DG(14:0/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m0/s1
HMDB07011	DG(14:0/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m0/s1
HMDB54434	TG(22:2(13Z,16Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,32,58H,4-7,9-10,12-15,18,22-23,27,29-31,33-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,32-26-
HMDB54435	TG(22:2(13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,32,38,41,58H,4-7,9-10,12-15,18,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,32-26-,41-38-
HMDB54436	TG(22:2(13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,35,37,60H,4-7,9-10,12-15,18,22-23,27,30-34,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-35-
HMDB54437	TG(22:2(13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,35,37,43,46,60H,4-7,9-10,12-15,18,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-35-,46-43-
HMDB54430	TG(22:2(13Z,16Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,57H,4-15,17-18,20,22-23,26,28-56H2,1-3H3/b19-16-,24-21-,27-25-
HMDB54431	TG(22:2(13Z,16Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,62H,4-15,18,22-23,27,30-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-
HMDB54432	TG(22:2(13Z,16Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32,34,39,42,62H,4-15,18,22-23,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,42-39-
HMDB48906	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,30-31,36,39,45,48,57H,4-13,15,18,20,22,28-29,32-35,37-38,40-44,46-47,49-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,39-36-,48-45-
HMDB54438	TG(22:2(13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32,34,39,42,62H,4-6,8-9,11-15,18,22-23,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,42-39-
HMDB54439	TG(22:2(13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32,34,39,42,48,51,62H,4-6,8-9,11-15,18,22-23,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB55373	TG(18:4(6Z,9Z,12Z,15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35-37,39,43,46,56H,4-6,9,12-15,18,21-24,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-
HMDB58926	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-49,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-/t82?,83-,84-/m1/s1
HMDB58927	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB58924	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67,71,88-90,95H,5-9,12-13,16-20,24,29-31,36,41-43,51-54,58,62-66,68-70,72-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-/t88?,89-,90-/m1/s1
HMDB58925	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67,69,71,73,88-90,95H,5-9,12-13,16-20,24,29-31,36,41-43,51-54,58,62-66,68,70,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB58922	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,65-66,69,86-88,93H,5-9,11-13,15-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-64,67-68,70-85H2,1-4H3,(H,98,99)(H,100,101)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-,69-65-/t86?,87-,88-/m1/s1
HMDB58923	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67,69,71,73,88-90,95H,5-9,11-13,15-20,24,29-31,36,41-43,51-54,58,62-66,68,70,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB58920	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB58921	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,68,85-87,92H,5-9,11-13,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB58565	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-39,42-45,48-49,56-57,60-61,80-82,87H,5-20,23-24,28-30,32,35,40-41,46-47,50-55,58-59,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,43-39-,48-44-,49-45-,60-56-,61-57-/t80?,81-,82-/m1/s1
HMDB58928	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,50-51,53,55,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-49,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-/t82?,83-,84-/m1/s1
HMDB58929	CL(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB12641	20-oxo-leukotriene B4	O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC=O	InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
HMDB12643	20-Trihydroxy-leukotriene-B4	O[C@H](CCCC(O)=O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCCCC(O)(O)O	InChI=1S/C20H32O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,17-18,21-22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m0/s1
HMDB12642	20-Oxo-leukotriene E4	N[C@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC=O)[C@@H](O)CCCC(O)=O)C(O)=O	InChI=1S/C23H35NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20+,21-/m1/s1
HMDB44053	TG(16:0/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,48H,4-20,22-23,25-47H2,1-3H3/b24-21-
HMDB44052	TG(16:0/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-29-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-
HMDB58562	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40,42-43,47,55,59,78-80,85H,5-20,22-24,27,29,31,34,36,39,41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,32-28-,37-33-,40-35-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB44051	TG(16:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,34,39,42,52H,4-6,8-9,11-14,17,20-23,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,34-31-,42-39-
HMDB44050	TG(16:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,31,34,52H,4-6,8-9,11-14,17,20-23,26,29-30,32-33,35-51H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,34-31-
HMDB44057	TG(16:0/16:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-
HMDB44056	TG(16:0/16:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-
HMDB58563	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-38,40-43,47,55,59,78-80,85H,5-20,22-24,27-29,31-32,34,39,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,40-35-,41-36-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB54371	TG(22:2(13Z,16Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,62H,4-15,18,21-24,27,30-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-
HMDB04437	Diethanolamine	OCCNCCO	InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
HMDB00541	7b-Hydroxy-3-oxo-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)CC2CC(=O)CC[C@]12C	InChI=1S/C25H38O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-20,23H,5-14H2,1-4H3/t15-,16?,18-,19+,20+,23+,24+,25-/m1/s1
HMDB00540	5-Androstene-3b,16a,17a-triol	[H][C@@]12C[C@@H](O)[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17+,18-,19-/m0/s1
HMDB00543	Benzenebutanoic acid	OC(=O)CCCC1=CC=CC=C1	InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
HMDB00542	8-Hydroxyadenine	NC1=NC=NC2=C1NC(O)=N2	InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
HMDB00545	Chenodeoxycholic acid disulfate	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O)[C@H](C)CCC(O)=O	InChI=1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
HMDB00544	5-Hydroxymethyl-4-methyluracil	CC1=C(CO)C(=O)NC(=O)N1	InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)
HMDB00547	Magnesium	[Mg++]	InChI=1S/Mg/q+2
HMDB00546	Epietiocholanolone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1
HMDB00549	Gamma-Butyrolactone	O=C1CCCO1	InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
HMDB00548	TG(10:0/10:0/10:0)[iso]	CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC	InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
HMDB48714	TG(16:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-
HMDB48715	TG(16:1(9Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,37,40,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-,40-37-
HMDB48716	TG(16:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,58H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB48717	TG(16:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,42,45,58H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-,45-42-
HMDB48710	TG(16:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,42,45,58H,4-16,18-19,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-,45-42-
HMDB48711	TG(16:1(9Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,60H,4-15,17-18,20,22-23,29-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-
HMDB48712	TG(16:1(9Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,33,38,41,60H,4-15,17-18,20,22-23,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,33-31-,41-38-
HMDB48713	TG(16:1(9Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,33-31-,41-38-,50-47-
HMDB48718	TG(16:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,33-31-,41-38-
HMDB48719	TG(16:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,33-31-,41-38-,50-47-
HMDB49047	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,9,12-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB06876	dTDP-D-galactose	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O	InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11-,12-,13+,15+/m0/s1
HMDB06875	1-Pyrroline-2-carboxylic acid	OC(=O)C1=NCCC1	InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)
HMDB49044	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,38,44,47,56H,4-6,9,12-15,18,22-23,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,47-44-
HMDB06873	D-Tagatose 6-phosphate	OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m1/s1
HMDB06872	D-Tagatose 1,6-bisphosphate	O[C@@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O	InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+,5+,6?/m1/s1
HMDB49041	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,32,34,39,42,48,51,60H,4-7,9-10,12-15,18,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-
HMDB06870	3-Hydroxyisovaleryl-CoA	CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20?,24-/m1/s1
HMDB49049	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-39,41-42,47-48,50-51,60H,4-6,9,12-15,18,22-23,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-
HMDB06878	S-Acetyldihydrolipoamide-E	CC(=O)SCCC(S)CCCCC(N)=O	InChI=1S/C10H19NO2S2/c1-8(12)15-7-6-9(14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)
HMDB00097	Choline	C[N+](C)(C)CCO	InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
HMDB00095	Cytidine monophosphate	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
HMDB00094	Citric acid	OC(=O)CC(O)(CC(O)=O)C(O)=O	InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
HMDB00092	Dimethylglycine	CN(C)CC(O)=O	InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
HMDB53489	TG(20:2n6/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14-19,23-28,32-33,38,41,60H,4-13,20-22,29-31,34-37,39-40,42-59H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,33-32-,41-38-
HMDB00099	L-Cystathionine	N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
HMDB00098	D-Xylose	O[C@@H]1COC(O)[C@H](O)[C@H]1O	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
HMDB58112	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-38,40-42,77-79,84H,5-24,28,32-35,39,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB52991	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-33,36,38-39,41,45,48,58H,4-15,18,21-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-
HMDB52990	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-33,36,38-39,41,58H,4-15,18,21-24,29,34-35,37,40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-
HMDB52993	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,54H,4-6,8-9,11-15,18,21-24,31-33,36,39-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB52992	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,35,38,54H,4-6,8-9,11-15,18,21-24,31-34,36-37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,38-35-
HMDB52995	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-32,34,36,39-40,43,56H,4-6,8-9,11-15,18,21-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB52994	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-32,34,36,39,56H,4-6,8-9,11-15,18,21-24,29,33,35,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-
HMDB52997	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-33,36,38-39,41,45,48,58H,4-6,8-9,11-15,18,21-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-
HMDB52996	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30-33,36,38-39,41,58H,4-6,8-9,11-15,18,21-24,29,34-35,37,40,42-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-
HMDB52999	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,30-31,36-37,39-40,56H,4-16,19,22-24,29,32-35,38,41-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,40-37-
HMDB52998	TG(18:3(6Z,9Z,12Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,55H,4-16,18-19,21-25,28,31-34,36-37,39-54H2,1-3H3/b20-17-,29-26-,30-27-,38-35-
HMDB57314	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57315	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-38,41-44,46,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35,39-40,45,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57316	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB57317	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,65-66,70,85-87,92H,5-8,10-12,14-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-64,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,70-66-/t85?,86-,87-/m1/s1
HMDB57310	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-10,12-14,16-20,24,28-32,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57311	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57312	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57313	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57318	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,10-12,14-20,24,28-32,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57319	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,67,71,87-89,94H,5-8,10,12,14,16-20,24,28-32,36,40-42,49-53,57,61-66,68-70,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-/t87?,88-,89-/m1/s1
HMDB05380	TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,31,36,39,52H,4-15,17-18,20,22-23,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,24-21-,26-25-,31-28-,39-36-/t52-/m1/s1
HMDB05381	TG(16:0/18:1(9Z)/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,54H,4-25,27-28,30-53H2,1-3H3/b29-26-/t54-/m1/s1
HMDB05382	TG(16:0/18:1(9Z)/18:1(9Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-
HMDB05383	TG(16:0/18:1(9Z)/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-27,29,54H,4-24,28,30-53H2,1-3H3/b27-25-,29-26-/t54-/m1/s1
HMDB05384	TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,52H,4-15,17-18,20-24,29-51H2,1-3H3/b19-16-,27-25-,28-26-/t52-/m1/s1
HMDB05385	TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,38,41,54H,4-15,17-18,20-24,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,29-26-,32-30-,41-38-/t54-/m1/s1
HMDB05386	TG(16:0/20:1(11Z)/20:1(11Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,56H,4-24,29-55H2,1-3H3/b27-25-,28-26-/t56-/m1/s1
HMDB05387	TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,34,40,43,56H,4-15,17-18,20-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,43-40-/t56-/m1/s1
HMDB05388	TG(16:0/18:2(9Z,12Z)/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,54H,4-16,18-19,21-25,27-28,30-53H2,1-3H3/b20-17-,29-26-/t54-/m1/s1
HMDB05389	TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,54H,4-16,18-19,21-24,28,30-53H2,1-3H3/b20-17-,27-25-,29-26-/t54-/m1/s1
HMDB32085	Koeniginequinone A	COC1=CC=C2C(NC3=C2C(=O)C(C)=CC3=O)=C1	InChI=1S/C14H11NO3/c1-7-5-11(16)13-12(14(7)17)9-4-3-8(18-2)6-10(9)15-13/h3-6,15H,1-2H3
HMDB58447	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-35,37-38,40,42-43,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,27,29-31,36,39,41,44-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB50841	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,34,37,43,46,52,55,64H,4-7,9-10,12-15,18,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB50840	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB50843	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-7,9-10,12-15,18,21-24,31-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-
HMDB50842	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-7,9-10,12-15,18,21-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-
HMDB50845	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,39-40,42-43,48,51,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-,51-48-
HMDB50844	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,39,42,48,51,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-
HMDB50847	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB50846	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-36,39,41,44,50,53,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-
HMDB50849	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-6,9,12-15,18,21-24,31-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-
HMDB50848	TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-6,9,12-15,18,21-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-
HMDB56353	DG(22:4n6/0:0/18:3n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,41,44H,3-5,7,9-10,15-16,20,24-25,27,29-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-
HMDB58446	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,59,63,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB07838	DG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,45,48H,3-5,7,9-11,13,15-16,21-27,29,31-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,30-28-/t45-/m0/s1
HMDB07839	DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,34,36,45,48H,3-5,7,9-11,13,15-16,21-27,29,31-33,35,37-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,30-28-,36-34-/t45-/m0/s1
HMDB07834	DG(24:1(15Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45,48H,3-11,13,15-16,21-44H2,1-2H3/b14-12-,19-17-,20-18-/t45-/m0/s1
HMDB07835	DG(24:1(15Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17-20,28,30,34,36,45,48H,3-16,21-27,29,31-33,35,37-44H2,1-2H3/b19-17-,20-18-,30-28-,36-34-/t45-/m0/s1
HMDB07836	DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,28,30,45,48H,3-11,13,15-16,21-27,29,31-44H2,1-2H3/b14-12-,19-17-,20-18-,30-28-/t45-/m0/s1
HMDB07837	DG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,28,30,34,36,45,48H,3-11,13,15-16,21-27,29,31-33,35,37-44H2,1-2H3/b14-12-,19-17-,20-18-,30-28-,36-34-/t45-/m0/s1
HMDB07830	DG(24:1(15Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,43,46H,3-5,7,9-11,13,15-16,20-24,26-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-/t43-/m0/s1
HMDB07831	DG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,30,32,43,46H,3-5,7,9-11,13,15-16,20-24,26-29,31,33-42H2,1-2H3/b8-6-,14-12-,19-17-,25-18-,32-30-/t43-/m0/s1
HMDB07832	DG(24:1(15Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-/t45-/m0/s1
HMDB07833	DG(24:1(15Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-/t45-/m0/s1
HMDB58568	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57866	CL(18:1(11Z)/16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB57867	CL(18:1(11Z)/16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-39,41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57864	CL(18:1(11Z)/16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,39-40,44,52,56,75-77,82H,5-20,22-24,27-29,31-32,34,37-38,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,36-33-,39-35-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB57865	CL(18:1(11Z)/16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,41,46,50,58,62,77-79,84H,5-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57862	CL(18:1(11Z)/16:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,34-35,37-38,73-75,80H,5-24,26-28,30-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB57863	CL(18:1(11Z)/16:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,38-39,74-76,81H,5-24,27-28,31-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB46268	TG(22:0/14:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,55H,4-13,15-16,18-22,24,26-54H2,1-3H3/b17-14-,25-23-
HMDB57861	CL(18:1(11Z)/16:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,37,73-75,80H,5-24,26,28,30,32-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,31-27-,37-34-/t73?,74-,75-/m1/s1
HMDB57868	CL(18:1(11Z)/16:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1
HMDB57869	CL(18:1(11Z)/16:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36,39,74-76,81H,5-24,28,32-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,39-36-/t74?,75-,76-/m1/s1
HMDB56199	DG(18:1n9/0:0/20:3n9)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,39,42H,3-16,20,23,25-27,29,31-38H2,1-2H3/b19-17-,21-18-,24-22-,30-28-
HMDB56198	DG(18:1n9/0:0/20:1n9)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,39,42H,3-16,20,22-38H2,1-2H3/b19-17-,21-18-
HMDB56195	DG(18:1n7/0:0/22:5n3)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-
HMDB56194	DG(18:1n7/0:0/20:5n3)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,39,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-
HMDB56197	DG(18:1n9/0:0/18:1n9)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-
HMDB56196	DG(18:1n7/0:0/22:6n3)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-
HMDB56191	DG(18:1n7/0:0/18:3n3)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,37,40H,3-4,6,8-10,12,15,18,20-36H2,1-2H3/b7-5-,13-11-,16-14-,19-17-
HMDB56190	DG(18:1n7/0:0/22:5n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,32,34,41,44H,3-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-,34-32-
HMDB56193	DG(18:1n7/0:0/20:4n3)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,39,42H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,24-22-
HMDB56192	DG(18:1n7/0:0/18:4n3)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,23,25,37,40H,3-4,6,8-10,12,15,18,20-22,24,26-36H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,25-23-
HMDB37468	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-b-D-Glucopyranoside	COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O	InChI=1S/C23H24O13/c1-32-11-5-8(3-4-9(11)25)20-22(36-23-19(31)18(30)15(27)13(7-24)35-23)17(29)14-12(34-20)6-10(26)21(33-2)16(14)28/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3
HMDB30379	N-Methoxy-1-vinyl-beta-carboline	CON1C2=C(C=CC=C2)C2=C1C(C=C)=NC=C2	InChI=1S/C14H12N2O/c1-3-12-14-11(8-9-15-12)10-6-4-5-7-13(10)16(14)17-2/h3-9H,1H2,2H3
HMDB30378	(Z)-Narceine imide	COC1=C(OC)C2=C(C=C1)\C(NC2=O)=C\C1=C(CCN(C)C)C=C2OCOC2=C1OC	InChI=1S/C23H26N2O6/c1-25(2)9-8-13-10-18-22(31-12-30-18)20(28-4)15(13)11-16-14-6-7-17(27-3)21(29-5)19(14)23(26)24-16/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)/b16-11-
HMDB37469	Spinacetin 3-gentiobioside	[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C1=C(OC2([H])OC([H])(C([H])([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C(OC([H])([H])[H])=C2O[H]	InChI=1S/C29H34O18/c1-41-12-5-9(3-4-10(12)31)25-27(20(36)16-13(44-25)6-11(32)26(42-2)19(16)35)47-29-24(40)22(38)18(34)15(46-29)8-43-28-23(39)21(37)17(33)14(7-30)45-28/h3-6,14-15,17-18,21-24,28-35,37-40H,7-8H2,1-2H3
HMDB30375	Citracridone I	COC1=C2N(C)C3=C(C(O)=CC4=C3C=CC(C)(C)O4)C(=O)C2=CC=C1O	InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-13(23)15-16(10)21(3)17-11(18(15)24)5-6-12(22)19(17)25-4/h5-9,22-23H,1-4H3
HMDB30374	Citrusinine I	COC1=C(OC)C2=C(C(O)=C1)C(=O)C1=C(N2C)C(O)=CC=C1	InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3
HMDB30377	5-[2-(3,5-Dihydroxyphenyl)ethenyl]-2-methoxy-1,3-benzenediol	COC1=C(O)C=C(\C=C/C2=CC(O)=CC(O)=C2)C=C1O	InChI=1S/C15H14O5/c1-20-15-13(18)6-10(7-14(15)19)3-2-9-4-11(16)8-12(17)5-9/h2-8,16-19H,1H3/b3-2-
HMDB30376	(S)-Isowillardiine	NC(CN1C(=O)NC=CC1=O)C(O)=O	InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13)
HMDB30371	Myrtine	CC1CC(=O)CC2CCCCN12	InChI=1S/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3
HMDB30370	Citroside A	CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3
HMDB30373	Citrusinine II	COC1=C(O)C=C(O)C2=C1N(C)C1=C(C=CC=C1O)C2=O	InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
HMDB30372	Maltoxazine	O=C1CCC2=C1N1CCCC1OC2	InChI=1S/C10H13NO2/c12-8-4-3-7-6-13-9-2-1-5-11(9)10(7)8/h9H,1-6H2
HMDB51086	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-30,36,38-39,41,45,47-48,50,62H,4-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB51087	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-30,38,40-41,43,47,49-50,52,64H,4-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB51084	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33,36,42,45,59H,4-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b28-25-,29-26-,36-33-,45-42-
HMDB51085	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,34-39,43-48,60H,4-24,31-33,40-42,49-59H2,1-3H3/b28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB51082	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-
HMDB51083	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB51080	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34-35,37-38,44,47,60H,4-6,8-9,11-15,17-18,20-24,31-33,36,39-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,47-44-
HMDB51081	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,17-18,20-24,31-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB51088	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,33-35,37-38,43-44,46-47,59H,4-20,22-23,27,31-32,36,39-42,45,48-58H2,1-3H3/b24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-
HMDB51089	TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-34,36-38,41-43,45-46,58H,4-17,19-20,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB02925	8,11,14-Eicosatrienoic acid	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O	InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
HMDB56738	CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,53,57,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51-52,54-56,58-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-/t77?,78-,79-/m1/s1
HMDB02927	Naringin	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
HMDB02923	Isomaltose	OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1
HMDB56731	CL(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB37464	Spinosin B	COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(OC)C=C4OC(=CC(=O)C4=C3O)C3=CC=C(O)C=C3)C(O)C(O)C2O)=C1	InChI=1S/C38H40O18/c1-50-22-11-16(3-9-19(22)41)4-10-27(43)52-15-26-31(45)33(47)35(49)38(55-26)56-37-34(48)30(44)25(14-39)54-36(37)29-23(51-2)13-24-28(32(29)46)20(42)12-21(53-24)17-5-7-18(40)8-6-17/h3-13,25-26,30-31,33-41,44-49H,14-15H2,1-2H3/b10-4+
HMDB56733	CL(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,44,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1
HMDB56732	CL(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-/t82?,83-,84-/m1/s1
HMDB56735	CL(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB02928	Maltitol	[H][C@@](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)CO	InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
HMDB56737	CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,38,40-41,45-46,50,53,57-58,62,77-79,84H,5-20,23-24,27-32,37,39,42-44,47-49,51-52,54-56,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-,62-58-/t77?,78-,79-/m1/s1
HMDB37465	Spinosin A	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(OC)C=C4OC(=CC(=O)C4=C3O)C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C39H42O19/c1-51-21-13-22-28(19(42)12-20(55-22)17-5-7-18(41)8-6-17)33(47)29(21)37-38(35(49)31(45)25(14-40)56-37)58-39-36(50)34(48)32(46)26(57-39)15-54-27(43)9-4-16-10-23(52-2)30(44)24(11-16)53-3/h4-13,25-26,31-32,34-41,44-50H,14-15H2,1-3H3/b9-4+
HMDB03039	Isoacitretin	COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C/C(O)=O)C(C)=C1	InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-
HMDB51338	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-17,19-20,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB51339	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,40-41,43,47,49-50,52,64H,4-8,10-11,13-17,19-20,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB51334	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35-36,38-41,43,45,48,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB51335	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB51336	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33-34,36-37,42,45,59H,4-7,9-10,12-16,18-19,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB03033	Canrenone	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C	InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
HMDB03034	Prostaglandin D3	CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O	InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1
HMDB51331	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,32-34,36-38,41-42,45,58H,4-7,10,13-16,19,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB03036	Triiodothyronine sulfate	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C=C2)C(I)=C1)C(O)=O	InChI=1S/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)/t12-/m0/s1
HMDB51333	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34-39,43-44,46-47,60H,4-6,8,11,13-15,17,20,22-24,31-33,40-42,45,48-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB55428	TG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,37,40,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,40-37-
HMDB55429	TG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-32,35-37,39-41,44,56H,4-7,10,13-16,19,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB55424	TG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,36,38,41,58H,4-6,8,11,13-15,17,20,22-24,30-31,34-35,37,39-40,42-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-
HMDB55425	TG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,36,38,41-42,45,58H,4-6,8,11,13-15,17,20,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-
HMDB55426	TG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,40-41,43,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39,42,44-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-
HMDB55427	TG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,40-41,43,47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-,50-47-
HMDB55420	TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-33,36,38-39,41,58H,4-6,9,12-15,18,21-24,29,34-35,37,40,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-
HMDB55421	TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-33,36,38-39,41,45,48,58H,4-6,9,12-15,18,21-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-
HMDB55422	TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,55H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-
HMDB55423	TG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-31,36-37,39-40,56H,4-7,10,13-16,19,22-24,29,32-35,38,41-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,40-37-
HMDB44531	TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,35,56H,4-7,9-10,12-16,18-19,21-25,27,29-31,33-34,36-55H2,1-3H3/b11-8-,20-17-,28-26-,35-32-
HMDB55004	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,38,41,47,50,61H,4-15,17-18,20-24,27,30-31,33,35-37,39-40,42-46,48-49,51-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,41-38-,50-47-
HMDB58869	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-47-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,42,45-46,48-49,51-53,55,60-61,63-65,67,84-86,91H,5-20,24,29-31,36,41,43-44,47,50,54,56-59,62,66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,52-48-,53-49-,55-51-,64-60-,65-61-,67-63-/t84?,85-,86-/m1/s1
HMDB31967	Precarthamin	OCC1OC(OC2=C(O)C=C(O)C(C(O)\C=C\C3=CC=C(O)C=C3)=C2O)C(O)C(O)C1O	InChI=1S/C21H24O11/c22-8-14-16(27)18(29)19(30)21(31-14)32-20-13(26)7-12(25)15(17(20)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,11,14,16,18-19,21-30H,8H2/b6-3+
HMDB31966	Lansimide 2	CN1\C=C/C2=CC=CC=C2C(C(O)C1=O)C1=CC=CC=C1.CN1C(O)C(C(C(O)C1=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C18H19NO3.C18H17NO2/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12;1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-11,14-17,20-21H,1H3;2-12,16-17,20H,1H3/b;12-11-
HMDB31965	Melilotussaponin O1	CC1OC(OC2C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(O)C6(C)CCC54C)C3(C)CO)C(O)=O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C53H86O22/c1-22-31(58)34(61)38(65)45(69-22)75-42-39(72-44-37(64)32(59)25(56)20-68-44)33(60)26(19-54)70-47(42)74-41-36(63)35(62)40(43(66)67)73-46(41)71-30-12-13-50(5)27(51(30,6)21-55)11-14-53(8)28(50)10-9-23-24-17-48(2,3)18-29(57)49(24,4)15-16-52(23,53)7/h9,22,24-42,44-47,54-65H,10-21H2,1-8H3,(H,66,67)
HMDB31964	8,12-Epoxy-7(11)-eremophilene-3,6,8,12-tetrol; (3b,6b,8b,12a)-form, 8,12-Di-Me ether, 6-angeloyl	COC1OC2(CC3CCC(O)C(C)C3(C)C(OC(=O)C(\C)=C\C)C2=C1C)OC	InChI=1S/C22H34O6/c1-8-12(2)19(24)27-18-17-13(3)20(25-6)28-22(17,26-7)11-15-9-10-16(23)14(4)21(15,18)5/h8,14-16,18,20,23H,9-11H2,1-7H3/b12-8+
HMDB31963	8,12-Epoxy-7(11)-eremophilene-3,6,8,12-tetrol; (3b,6b,8a,12a)-form, 6,8,12-Tri-Me ether	COC1OC2(CC3CCC(O)C(C)C3(C)C(OC)C2=C1C)OC	InChI=1S/C18H30O5/c1-10-14-15(20-4)17(3)11(2)13(19)8-7-12(17)9-18(14,22-6)23-16(10)21-5/h11-13,15-16,19H,7-9H2,1-6H3
HMDB31962	Tsugaric acid B	CC(CCC(C1C(O)CC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O)C(C)=C	InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)
HMDB31961	Lablaboside F	CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O	InChI=1S/C66H106O31/c1-24-34(69)38(73)45(80)54(86-24)92-48-26(3)88-56(47(82)44(48)79)95-51-41(76)37(72)30(23-68)90-58(51)97-60(85)66-19-17-61(4,5)21-28(66)27-11-12-32-63(8)15-14-33(62(6,7)31(63)13-16-65(32,10)64(27,9)18-20-66)91-59-52(43(78)42(77)49(93-59)53(83)84)96-57-50(40(75)36(71)29(22-67)89-57)94-55-46(81)39(74)35(70)25(2)87-55/h11,24-26,28-52,54-59,67-82H,12-23H2,1-10H3,(H,83,84)
HMDB31960	Lablaboside E	CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O	InChI=1S/C66H106O32/c1-24-34(70)38(74)45(81)54(87-24)93-48-26(3)89-56(47(83)44(48)80)96-51-41(77)37(73)30(22-68)91-58(51)98-60(86)66-18-16-61(4,5)20-28(66)27-10-11-32-62(6)14-13-33(63(7,23-69)31(62)12-15-65(32,9)64(27,8)17-19-66)92-59-52(43(79)42(78)49(94-59)53(84)85)97-57-50(40(76)36(72)29(21-67)90-57)95-55-46(82)39(75)35(71)25(2)88-55/h10,24-26,28-52,54-59,67-83H,11-23H2,1-9H3,(H,84,85)
HMDB50067	TG(18:1(9Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-32,35-36,39,56H,4-15,18,21-24,29,33-34,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-
HMDB50066	TG(18:1(9Z)/20:3n6/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-33,36,57H,4-15,17-18,21-22,24,26,30,34-35,37-56H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,32-29-,36-33-
HMDB50065	TG(18:1(9Z)/20:3n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36,38,41,62H,4-16,18-19,21-24,30-35,37,39-40,42-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,41-38-
HMDB50064	TG(18:1(9Z)/20:3n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,39,60H,4-16,18-19,21-24,30-33,35,37-38,40-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,39-36-
HMDB50063	TG(18:1(9Z)/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,32-34,36-37,42,45,58H,4-16,18-19,21-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB50062	TG(18:1(9Z)/20:3n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,32,34,37,58H,4-16,18-19,21-24,30-31,33,35-36,38-57H2,1-3H3/b20-17-,28-25-,29-26-,32-27-,37-34-
HMDB31969	3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one	CC1=CC=C(C=C1)C(=O)C1=C(O)C(=O)C2=C(O1)C=CC=C2	InChI=1S/C17H12O4/c1-10-6-8-11(9-7-10)14(18)17-16(20)15(19)12-4-2-3-5-13(12)21-17/h2-9,20H,1H3
HMDB31968	Malvidin 3-glucoside-4-vinylphenol	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C=C1)=CC(O)=C2	InChI=1S/C31H28O13/c1-39-21-7-14(8-22(40-2)25(21)35)29-30(44-31-28(38)27(37)26(36)23(12-32)43-31)17-11-18(13-3-5-15(33)6-4-13)41-19-9-16(34)10-20(42-29)24(17)19/h3-11,23,26-28,31-32,36-38H,12H2,1-2H3,(H2-,33,34,35)/p+1/t23-,26-,27+,28-,31+/m1/s1
HMDB54779	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-36,38-39,42,61H,4-7,9-10,12-15,18,22-23,27,31,33,37,40-41,43-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-
HMDB54778	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,37,39-40,42,59H,4-8,10-11,13-15,17,22,24,26,30,35-36,38,41,43-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,42-39-
HMDB54777	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,37,40,59H,4-8,10-11,13-15,17,22,24,26,30,35-36,38-39,41-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-
HMDB54776	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,40-41,43-44,49,52,63H,4-15,18,22-23,27,31-32,38-39,42,45-48,50-51,53-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,43-40-,44-41-,52-49-
HMDB54775	TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,40-41,43-44,63H,4-15,18,22-23,27,31-32,38-39,42,45-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,43-40-,44-41-
HMDB54774	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,42,45,65H,4-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,45-42-
HMDB54773	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54,57,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-
HMDB54772	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB54771	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,40,43-44,47,49,52,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB54770	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,38,40,43-44,47,66H,4-8,10-11,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-
HMDB42033	thiodiglycol	OCCSCCO	InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
HMDB42032	thiodiacetic acid	OC(=O)CSCC(O)=O	InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
HMDB42031	thiobarbituric acid	OC1=NC(=S)N=C(O)C1	InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
HMDB08978	PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,41H,3-4,6,8-10,12,15,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t41-/m1/s1
HMDB08979	PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,41H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1
HMDB42035	thiouracil	OC1=NC(S)=NC=C1	InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
HMDB48058	TG(14:1(9Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,34,36,42,45,58H,4-14,16,19,21-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,36-34-,45-42-
HMDB08974	PE(16:1(9Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16-18,41H,3-13,15,19-40,44H2,1-2H3,(H,47,48)/b16-14-,18-17-/t41-/m1/s1
HMDB08975	PE(16:1(9Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,41H,3-10,12,15,19-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-/t41-/m1/s1
HMDB08976	PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,41H,3-10,12,15,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-,26-24-/t41-/m1/s1
HMDB08977	PE(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,30,32,41H,3-10,12,15,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1
HMDB08970	PE(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,39H,3-10,12,15,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,22-20-,28-26-/t39-/m1/s1
HMDB08971	PE(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,39H,3-4,6,8-10,12,15,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-,22-20-/t39-/m1/s1
HMDB08972	PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,26,28,39H,3-4,6,8-10,12,15,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-,22-20-,28-26-/t39-/m1/s1
HMDB08973	PE(16:1(9Z)/22:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40,44H2,1-2H3,(H,47,48)/b16-14-/t41-/m1/s1
HMDB46903	TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-
HMDB46902	TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-7,10,13-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB46901	TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,36,38-39,41,62H,4-7,10,13-16,19,22-25,28,31-35,37,40,42-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-
HMDB46900	TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,39-40,43,60H,4-7,10,13-16,19,22-25,28,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-
HMDB46907	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,42,45,51,54,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,21-18-,30-27-,45-42-,54-51-
HMDB46906	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,30-27-,43-40-,52-49-
HMDB46905	TG(22:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-60H2,1-3H3/b11-8-,20-17-,29-26-,39-36-
HMDB46904	TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,50,53,64H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB46909	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,43,46,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-,46-43-
HMDB46908	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,33,35,41,44,56H,4-7,9-10,12-14,16,19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-33-,44-41-
HMDB55656	TG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40,43,58H,4-6,13-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-
HMDB55655	TG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-
HMDB55654	TG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,37-38,41,47,50,60H,4-6,13-15,22-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-
HMDB47078	TG(24:0/18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-
HMDB47079	TG(24:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB29144	Gamma-glutamyl-Asparagine	NC(CC(N)=O)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C9H16N4O5/c10-4(3-7(12)15)8(16)13-5(9(17)18)1-2-6(11)14/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)
HMDB29145	Gamma-glutamyl-Aspartate	NC(CC(O)=O)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C9H15N3O6/c10-4(3-7(14)15)8(16)12-5(9(17)18)1-2-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)
HMDB29146	Gamma-glutamyl-Cysteine	NC(CS)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C8H15N3O4S/c9-4(3-16)7(13)11-5(8(14)15)1-2-6(10)12/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)
HMDB29147	Gamma-glutamyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)
HMDB29140	Valyl-Valine	CC(C)C(N)C(=O)NC(C(C)C)C(O)=O	InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)
HMDB32450	trans-3-Octen-2-ol	CCCC\C=C\C(C)O	InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+
HMDB29142	Gamma-glutamyl-Alanine	CC(N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)
HMDB29143	Gamma-glutamyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C11H22N6O4/c12-6(2-1-5-16-11(14)15)9(19)17-7(10(20)21)3-4-8(13)18/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)
HMDB01978	5-Hydroxypyrazinamide	NC(=O)C1=CNC(=O)C=N1	InChI=1S/C5H5N3O2/c6-5(10)3-1-8-4(9)2-7-3/h1-2H,(H2,6,10)(H,8,9)
HMDB29148	Gamma-glutamyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/p-1
HMDB29149	Gamma-glutamyl-Glycine	NCC(=O)NC(CCC(O)=N)C(O)=O	InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)
HMDB09599	PE(22:4(7Z,10Z,13Z,16Z)/22:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,47H,3-10,12,14-16,18,20-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,25-23-,31-29-/t47-/m1/s1
HMDB09598	PE(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32,34,45H,3-5,7,9-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1
HMDB52466	TG(18:2(9Z,12Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,33-34,37,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31-32,35-36,38-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-30-,37-34-
HMDB47075	TG(24:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,42,48,51,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-40-,51-48-
HMDB09591	PE(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30,43H,3-5,7,9-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1
HMDB09590	PE(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27,43H,3-5,7,9-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t43-/m1/s1
HMDB09593	PE(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,45H,3-10,12,14-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1
HMDB09592	PE(22:4(7Z,10Z,13Z,16Z)/20:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,45H,3-10,12,14-16,18,20-21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,29-27-/t45-/m1/s1
HMDB09595	PE(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,26-29,32,34,45H,3-10,12,14-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1
HMDB09594	PE(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,45H,3-10,15-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1
HMDB09597	PE(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,45H,3-5,7,9-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t45-/m1/s1
HMDB09596	PE(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,32,34,45H,3-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1
HMDB32265	cis-Ethyl 4-heptenoate	CCOC(=O)CC\C=C/CC	InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
HMDB32264	Ethyl 2-ethylhexanoate	CCCCC(CC)C(=O)OCC	InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
HMDB01368	3-Mercaptopyruvic acid	OC(=O)C(=O)CS	InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)
HMDB01369	Pyrroline hydroxycarboxylic acid	OC1CC(N=C1)C(O)=O	InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)
HMDB32261	Ethylene oxide polymer, alkyl adduct, phosphate ester	CCOC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CC)C=C1	InChI=1S/C18H20N2O3/c1-3-17(21)19-14-11-9-13(10-12-14)18(22)20-15-7-5-6-8-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)
HMDB32260	Ethylene glycol distearate	CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
HMDB32263	Ethylene oxide/propylene oxide copolymer	C1CO1.CC1CO1	InChI=1S/C3H6O.C2H4O/c1-3-2-4-3;1-2-3-1/h3H,2H2,1H3;1-2H2
HMDB32262	Ethylene oxide/propylene oxide copolymer (avg m w 9,760 - 13,200)	OCCO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
HMDB01362	Hydrogen	[H][H]	InChI=1S/H2/h1H
HMDB47070	TG(24:0/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-57H2,1-3H3/b11-8-,20-17-,33-26-
HMDB01361	Carbon monoxide	[C]#[O]	InChI=1S/CO/c1-2
HMDB01366	Purine	N1C=NC2=C1C=NC=N2	InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
HMDB32268	Ethyl 2-hexenoate	CCCC=CC(=O)OCC	InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
HMDB01364	Adenosine tetraphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
HMDB01365	Cotinine methonium ion	CN1C(CCC1=O)C1=C[N+](C)=CC=C1	InChI=1S/C11H15N2O/c1-12-7-3-4-9(8-12)10-5-6-11(14)13(10)2/h3-4,7-8,10H,5-6H2,1-2H3/q+1
HMDB40688	Isohumbertiol; (3x,5x,10x)-form, 9,10-Didehydro, O-[a-L-rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[(4-hydroxy-3-methoxycinnamoyl(E))-(-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	COC1=C(O)C=CC(\C=C/C(=O)OC2C(C)OC(OCC3OC(OC(C)(CC4=C(CCC(C)=C4)C(C)=C)C=C)C(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)=C1	InChI=1S/C49H70O21/c1-10-49(8,19-27-17-22(4)11-14-28(27)21(2)3)70-48-44(69-47-41(60)38(57)43(25(7)65-47)68-46-39(58)35(54)33(52)23(5)63-46)36(55)34(53)31(66-48)20-62-45-40(59)37(56)42(24(6)64-45)67-32(51)16-13-26-12-15-29(50)30(18-26)61-9/h10,12-13,15-18,23-25,31,33-48,50,52-60H,1-2,11,14,19-20H2,3-9H3/b16-13-
HMDB40689	6''-O-p-Coumaroyltrifolin	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+
HMDB47072	TG(24:0/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,38,60H,4-7,9-10,12-16,18-19,21-25,27,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,28-26-,38-35-
HMDB40682	23-trans-p-Coumaroyloxytormentic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)\C=C\C6=CC=C(O)C=C6)C5CCC34C)C2C1(C)O)C(O)=O	InChI=1S/C39H54O8/c1-23-15-18-39(33(44)45)20-19-36(4)26(31(39)38(23,6)46)12-13-29-34(2)21-27(41)32(43)35(3,28(34)16-17-37(29,36)5)22-47-30(42)14-9-24-7-10-25(40)11-8-24/h7-12,14,23,27-29,31-32,40-41,43,46H,13,15-22H2,1-6H3,(H,44,45)/b14-9+
HMDB40683	Grandisine III	COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC(O)=C1)C2=O	InChI=1S/C15H13NO5/c1-16-9-5-7(17)6-11(19)12(9)14(20)8-3-4-10(18)15(21-2)13(8)16/h3-6,17-19H,1-2H3
HMDB40680	Melitric acid B	OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC2=C(O\C(=C/C3=CC(O)=C(O)C=C3)C(=O)O2)C=C1	InChI=1S/C27H20O11/c28-17-5-1-15(9-19(17)30)12-23(26(33)34)37-25(32)8-4-14-3-7-21-22(11-14)38-27(35)24(36-21)13-16-2-6-18(29)20(31)10-16/h1-11,13,23,28-31H,12H2,(H,33,34)/b8-4+,24-13-
HMDB40681	Melitric acid A	OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC=C(O\C(=C/C2=CC=C(O)C(O)=C2)C(O)=O)C(O)=C1	InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-
HMDB40686	Isohumbertiol	CC(=C)C1=C(CC(C)(O)C=C)C=C(C)CC1	InChI=1S/C15H22O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,16H,1-2,7-8,10H2,3-5H3
HMDB40687	Isohumbertiol; (3x,5x,10x)-form, 9,10-Didehydro, O-[a-L-rhamnopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	CC1OC(OCC2OC(OC(C)(CC3=C(CCC(C)=C3)C(C)=C)C=C)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C39H62O18/c1-9-39(8,13-20-12-16(4)10-11-21(20)15(2)3)57-38-34(28(45)25(42)22(54-38)14-50-35-30(47)26(43)23(40)17(5)51-35)56-37-32(49)29(46)33(19(7)53-37)55-36-31(48)27(44)24(41)18(6)52-36/h9,12,17-19,22-38,40-49H,1-2,10-11,13-14H2,3-8H3
HMDB40684	Janthitrem C	CC(=C)C1OC2CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5CC6C(=CC(C)(C)OC6(C)C)C5=C4)CCC3(O)C2=CC1O	InChI=1S/C37H47NO4/c1-19(2)31-29(39)17-27-30(41-31)10-11-35(7)36(8)21(9-12-37(27,35)40)15-24-23-13-20-14-26-25(18-33(3,4)42-34(26,5)6)22(20)16-28(23)38-32(24)36/h13,16-18,21,26,29-31,38-40H,1,9-12,14-15H2,2-8H3
HMDB40685	2,3-Dihydroabscisic alcohol	CC(CCO)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C15H24O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5,7,9,11,16,18H,6,8,10H2,1-4H3/b7-5+
HMDB43342	TG(15:0/22:1(13Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,61H,4-25,27,29-60H2,1-3H3/b28-26-
HMDB43343	TG(15:0/22:1(13Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,24-25,51H,4-14,16-17,19-23,26-50H2,1-3H3/b18-15-,25-24-
HMDB43340	TG(15:0/22:1(13Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB43341	TG(15:0/22:1(13Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,59H,4-25,27,29-58H2,1-3H3/b28-26-
HMDB43346	TG(15:0/22:1(13Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h25-27,31,55H,4-24,28-30,32-54H2,1-3H3/b27-25-,31-26-
HMDB43347	TG(15:0/22:1(13Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,57H,4-24,29-56H2,1-3H3/b27-25-,28-26-
HMDB09629	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,33,35,45H,3-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t45-/m1/s1
HMDB09628	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,26-29,32-35,45H,3-10,12,14-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1
HMDB09627	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,33,35,45H,3-10,15-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1
HMDB09626	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,33,35,45H,3-10,12,14-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1
HMDB09625	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,33,35,45H,3-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,29-27-,35-33-/t45-/m1/s1
HMDB09624	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30-31,33,43H,3-5,7,9-10,15-16,20,24,26,29,32,34-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t43-/m1/s1
HMDB09623	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27,31,33,43H,3-5,7,9-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1
HMDB09622	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27-28,30-31,33,43H,3-10,15-16,20,24,26,29,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t43-/m1/s1
HMDB09621	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,31,33,43H,3-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1
HMDB09620	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,25,27,31,33,43H,3-10,12,14-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t43-/m1/s1
HMDB40530	3-Methyl-2-butenoic acid, 9CI; 3-Methylbutyl ester	CC(C)CCOC(=O)C=C(C)C	InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3
HMDB37796	(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one	C\C(\C=C\C=C(/C)C=C=C1C(C)(C)CC(O)CC1(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C(/O)=C/C(=O)C1(C)CC(O)CC1(C)C	InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-21,23,32-33,41-43,45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,34-23-
HMDB40532	Cynaroside A	CC1C(CC2C1C1OC(=O)C(O)(CO)C1CCC2=C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H32O10/c1-8-3-4-11-18(31-20(27)21(11,28)7-23)14-9(2)12(5-10(8)14)29-19-17(26)16(25)15(24)13(6-22)30-19/h9-19,22-26,28H,1,3-7H2,2H3
HMDB40533	Artomunoxanthentrione epoxide	COC1=CC(=O)C23OC4(C=C(C2C1=O)C(C)=C)C3OC1=C(C(O)=CC2=C1C=CC(C)(C)O2)C4=O	InChI=1S/C26H22O8/c1-11(2)13-10-25-22(30)18-14(27)8-15-12(6-7-24(3,4)33-15)21(18)32-23(25)26(34-25)17(28)9-16(31-5)20(29)19(13)26/h6-10,19,23,27H,1H2,2-5H3
HMDB40534	5'-Hydroxy-3',4',7-trimethoxyflavan	COC1=CC=C2CCC(OC2=C1)C1=CC(OC)=C(OC)C(O)=C1	InChI=1S/C18H20O5/c1-20-13-6-4-11-5-7-15(23-16(11)10-13)12-8-14(19)18(22-3)17(9-12)21-2/h4,6,8-10,15,19H,5,7H2,1-3H3
HMDB40535	Spirost-5-en-3-ol; (3b,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(54)34(51)39(29(17-47)59-41)61-40-36(53)33(50)38(21(3)56-40)60-42-35(52)32(49)31(48)28(16-46)58-42/h6,19-21,23-42,46-54H,7-18H2,1-5H3
HMDB40536	(2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside	CC1OC(OC2=CC3=C(C=C2)C(=O)C(O)C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-10-3-4-11-14(7-10)31-20(18(27)16(11)25)9-2-5-12(22)13(23)6-9/h2-8,15,17-24,26-28H,1H3
HMDB37797	Citbrasine	COC1=C(O)C2=C(N(C)C3=C(C=CC=C3O)C2=O)C(OC)=C1OC	InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
HMDB40538	3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;2)-a-L-rhamnopyranoside]	C[C@@H]1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29-,30+,31+,34+,35-,36?/m0/s1
HMDB40539	a-Rhamnoisorobin; 3-O-(6-O-Acetyl-b-D-galactopyranoside)	CC1OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O	InChI=1S/C29H32O16/c1-10-19(33)22(36)24(38)28(41-10)42-14-7-15(32)18-16(8-14)43-26(12-3-5-13(31)6-4-12)27(21(18)35)45-29-25(39)23(37)20(34)17(44-29)9-40-11(2)30/h3-8,10,17,19-20,22-25,28-29,31-34,36-39H,9H2,1-2H3
HMDB51853	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,39-40,43,45,48,60H,4-7,9-10,12-16,19,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB51852	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35,37,40,46,49,61H,4-7,9-10,12-16,18-19,22-23,27,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-30-,40-37-,49-46-
HMDB51855	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36,38-39,41,47,50,62H,4-8,10-11,13-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB37794	(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol	C\C(\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C	InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+
HMDB51857	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,40,43,49,52,64H,4-8,10-11,13-15,17,20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB51856	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46275	TG(22:0/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,35,37,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-34,36,38-53H2,1-3H3/b11-8-,20-17-,30-25-,37-35-
HMDB46274	TG(22:0/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,54H,4-7,9-10,12-16,18-19,21-24,26-29,31-53H2,1-3H3/b11-8-,20-17-,30-25-
HMDB46277	TG(22:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,39,42,56H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,42-39-
HMDB37795	(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one	C\C(\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C(/O)=C/C(=O)C1(C)CCC(O)C1(C)C	InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-24-40-36(5,6)26-32(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)33(41)25-35(43)38(9)23-22-34(42)37(38,7)8/h11-21,24-25,32,34,41-42,44H,22-23,26-27H2,1-10H3/b12-11+,17-13+,19-14+,24-21+,28-15+,29-16+,30-18+,31-20+,33-25-
HMDB44276	TG(16:0/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,54H,4-18,20-21,23-26,28,30-53H2,1-3H3/b22-19-,29-27-
HMDB46270	TG(22:0/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,39,42,56H,4-16,18-19,21-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b20-17-,27-25-,34-32-,42-39-
HMDB46273	TG(22:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,36,39,44,47,58H,4-15,17-18,20-23,25,27-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b19-16-,26-24-,32-30-,39-36-,47-44-
HMDB46272	TG(22:0/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,36,39,58H,4-15,17-18,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,26-24-,32-30-,39-36-
HMDB37792	1-Ethoxy-2-methoxy-4-(1-propenyl)benzene	CCOC1=C(OC)C=C(\C=C/C)C=C1	InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4-
HMDB46279	TG(22:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36,39,44,47,58H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,39-36-,47-44-
HMDB46278	TG(22:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,39-36-
HMDB37793	(3S,5R,6R,6'S)-6,7-Didehydro-5,6-dihydro-3,5,6'-trihydroxy-13,14,20-trinor-3'-oxo-beta,epsilon-caroten-19',11'-olide 3-acetate	CC(=O)OC1CC(C)(C)C(=C=C\C(C)=C\C=C\C=C\C=C(/C)\C=C2/OC(=O)C(\C=C\C3(O)C(C)=CC(=O)CC3(C)C)=C2)C(C)(O)C1	InChI=1S/C39H48O7/c1-26(16-17-34-36(5,6)24-33(45-29(4)40)25-38(34,9)43)14-12-10-11-13-15-27(2)20-32-22-30(35(42)46-32)18-19-39(44)28(3)21-31(41)23-37(39,7)8/h10-16,18-22,33,43-44H,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20-
HMDB37790	Polyethylene glycol	CC(N)C(=O)CCCCCC(O)=O	InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)
HMDB37791	(2xi,4xi)-2,4-Dimethyl-1-hexanol	CCC(C)CC(C)CO	InChI=1S/C8H18O/c1-4-7(2)5-8(3)6-9/h7-9H,4-6H2,1-3H3
HMDB46332	TG(22:0/18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3
HMDB44695	TG(18:0/15:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB44694	TG(18:0/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB44697	TG(18:0/15:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB44696	TG(18:0/15:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB44691	TG(18:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,36,39,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,39-36-
HMDB44690	TG(18:0/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,52H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-51H2,1-3H3/b10-7-,19-16-,26-24-,31-29-
HMDB44693	TG(18:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,33,36,41,44,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,36-33-,44-41-
HMDB44692	TG(18:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,36-33-
HMDB44699	TG(18:0/15:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,47H,4-14,16-17,19-46H2,1-3H3/b18-15-
HMDB44698	TG(18:0/15:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB47752	TG(14:1(9Z)/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,33,36,49H,4-14,16-17,19-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,25-24-,28-27-,36-33-
HMDB33619	Hexyl hexanoate	CCCCCCOC(=O)CCCCC	InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
HMDB33618	3-Methylbutyl hexanoate	CCCCCC(=O)OCCC(C)C	InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
HMDB33617	Vignatic acid B	CC(C)CC(O)C(=O)NC1C(OC2=CC=C(CC(NC(=O)C(CC(C)C)NC1=O)C(O)=O)C=C2)C(C)C	InChI=1S/C27H41N3O7/c1-14(2)11-19-24(32)29-20(27(35)36)13-17-7-9-18(10-8-17)37-23(16(5)6)22(26(34)28-19)30-25(33)21(31)12-15(3)4/h7-10,14-16,19-23,31H,11-13H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)
HMDB33616	(S)-[10]-Gingerol	CCCCCCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3
HMDB33615	(S)-[8]-Gingerol	CCCCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3
HMDB33614	Licoagrone	CC(C)=CCC1=CC2=C(OC(C(=O)C3=CC(CC=C(C)C)=C(O)C=C3)(C2=O)C2=C(\C=C3/OC4=C(C=CC(O)=C4CC=C(C)C)C3=O)C=C(O)C(O)=C2)C=C1O	InChI=1S/C45H42O10/c1-23(2)7-10-26-17-28(12-15-34(26)46)43(52)45(44(53)32-18-27(11-8-24(3)4)36(48)22-39(32)55-45)33-21-38(50)37(49)19-29(33)20-40-41(51)31-14-16-35(47)30(42(31)54-40)13-9-25(5)6/h7-9,12,14-22,46-50H,10-11,13H2,1-6H3/b40-20-
HMDB33613	Glabrin D	CC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CCC(O)=O)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC2=CC=C(O)C=C2)NC1=O	InChI=1S/C36H49N7O10/c1-20(2)30-34(51)39-24(18-21-9-11-22(44)12-10-21)31(48)37-19-28(45)41-15-3-6-25(41)32(49)38-23(13-14-29(46)47)35(52)43-17-5-8-27(43)36(53)42-16-4-7-26(42)33(50)40-30/h9-12,20,23-27,30,44H,3-8,13-19H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,46,47)
HMDB33612	Glabrin C	CC(C)CC1NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)CNC(=O)C2CCCN2C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC1=O)C(C)C)C(C)C	InChI=1S/C41H64N8O9/c1-21(2)17-28-36(53)43-25(9)35(52)45-29(18-22(3)4)37(54)48-34(24(7)8)41(58)49-16-10-11-31(49)39(56)42-20-32(51)44-30(19-26-12-14-27(50)15-13-26)38(55)47-33(23(5)6)40(57)46-28/h12-15,21-25,28-31,33-34,50H,10-11,16-20H2,1-9H3,(H,42,56)(H,43,53)(H,44,51)(H,45,52)(H,46,57)(H,47,55)(H,48,54)
HMDB33611	Licocoumarin A	CC(C)=CCC1=C(O)C=CC(=C1O)C1=CC2=C(OC1=O)C(CC=C(C)C)=C(O)C=C2	InChI=1S/C25H26O5/c1-14(2)5-8-18-21(26)12-10-17(23(18)28)20-13-16-7-11-22(27)19(9-6-15(3)4)24(16)30-25(20)29/h5-7,10-13,26-28H,8-9H2,1-4H3
HMDB33610	Pandamarilactam 3x	CC1=C\C(OC1=O)=C/CCCN1CCCC1=O	InChI=1S/C13H17NO3/c1-10-9-11(17-13(10)16)5-2-3-7-14-8-4-6-12(14)15/h5,9H,2-4,6-8H2,1H3/b11-5+
HMDB39750	Lacto-N-triose I	CC(=O)NC1C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C20H35NO16/c1-5(25)21-9-16(36-20-14(30)13(29)10(26)6(2-22)35-20)11(27)8(4-24)34-19(9)37-17-12(28)7(3-23)33-18(32)15(17)31/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)
HMDB39751	alpha-D-Galactopyranuronosyl-(1-&gt;4)-alpha-D-galactopyranuronosyl-(1-&gt;4)-D-galacturonic acid	OC1OC(C(OC2OC(C(OC3OC(C(O)C(O)C3O)C(O)=O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O	InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)
HMDB39752	3beta-Cycloartane-3,25-diol	CC(CCCC(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H52O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h20-24,31-32H,8-19H2,1-7H3
HMDB39753	3beta-Cycloart-5-ene-3,25-diol	CC(CCCC(C)(C)O)C1CCC2(C)C3CC=C4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3
HMDB39754	Phygrine	CN1CCCC1CC(=O)CC1CCC(CC(C)=O)N1C	InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3
HMDB39755	N-trans-Feruloyl-4-O-methyldopamine	COC1=CC(\C=C\C(=O)NCCC2=CC(O)=C(OC)C=C2)=CC=C1O	InChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+
HMDB39756	Gravacridonol	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(=C)CO)C=C2O	InChI=1S/C19H17NO4/c1-10(9-21)15-7-12-16(24-15)8-14(22)17-18(12)20(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,21-22H,1,7,9H2,2H3
HMDB39757	7-Chloro-6-demethylcepharadione B	COC1=CC2=C3C(NC(=O)C2=O)=C(Cl)C2=C(C=CC=C2)C3=C1OC	InChI=1S/C18H12ClNO4/c1-23-11-7-10-12-13(17(11)24-2)8-5-3-4-6-9(8)14(19)15(12)20-18(22)16(10)21/h3-7H,1-2H3,(H,20,22)
HMDB39758	Tricin arabinoside	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OCC(O)C(O)C3O)C=C2O1	InChI=1S/C22H22O11/c1-29-16-3-9(4-17(30-2)20(16)27)14-7-12(24)18-11(23)5-10(6-15(18)33-14)32-22-21(28)19(26)13(25)8-31-22/h3-7,13,19,21-23,25-28H,8H2,1-2H3
HMDB39759	Kaempferol 3-(2G-apiosylrobinobioside)	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3
HMDB43515	TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,36,42,45,57H,4-16,18-19,21-25,27,29-33,35,37-41,43-44,46-56H2,1-3H3/b20-17-,28-26-,36-34-,45-42-
HMDB31105	Trierucin	CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26+,30-27+
HMDB31107	Glycerol trinonadecanoate	CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC	InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB31106	Glycerol triheptadecanoate	CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB31101	8-Hydroxy-5,6-octadienoic acid	OCC=C=CCCCC(O)=O	InChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h1,5,9H,2,4,6-7H2,(H,10,11)
HMDB31103	2-Hydroxylinolenic acid	CC\C=C/C\C=C/C\C=C\CCCCCCC(O)C(O)=O	InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9+
HMDB31102	(Z,Z)-3,6-Dodecadien-1-ol	CCCCC\C=C\C\C=C\CCO	InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3/b7-6+,10-9+
HMDB44523	TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,33-34,36-37,52H,4-6,9,12-15,18,21-24,29-32,35,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,36-33-,37-34-
HMDB43513	TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,38,41,53H,4-15,17-18,20-24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b19-16-,27-25-,32-30-,41-38-
HMDB44521	TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37-38,41,43,46,56H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-
HMDB44520	TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37-38,41,56H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-
HMDB44527	TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37-38,41,43,46,56H,4-6,9,12-15,18,21-24,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-
HMDB31108	Tripetroselinin	CCCCCCCCCCC\C=C\CCCCC(=O)OCC(COC(=O)CCCC\C=C\CCCCCCCCCCC)OC(=O)CCCC\C=C\CCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h34-39,54H,4-33,40-53H2,1-3H3/b37-34+,38-35+,39-36+
HMDB44525	TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,36,38-39,41,54H,4-6,9,12-15,18,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB43512	TG(15:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,36,39,51H,4-15,17-18,20-24,27,29,31-35,37-38,40-50H2,1-3H3/b19-16-,26-25-,30-28-,39-36-
HMDB42598	TG(14:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,29-30,33,36,55H,4-6,8-9,11-13,15,18,20-22,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,30-29-,36-33-
HMDB42599	TG(14:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,29-30,33,36,42,45,55H,4-6,8-9,11-13,15,18,20-22,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,30-29-,36-33-,45-42-
HMDB42594	TG(14:0/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,24-25,27,51H,4-7,9-10,12,14-15,18-19,21,23,26,28-50H2,1-3H3/b11-8-,16-13-,20-17-,24-22-,27-25-
HMDB42595	TG(14:0/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,24-25,27,32,35,51H,4-7,9-10,12,14-15,18-19,21,23,26,28-31,33-34,36-50H2,1-3H3/b11-8-,16-13-,20-17-,24-22-,27-25-,35-32-
HMDB42596	TG(14:0/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,30-31,53H,4-6,8-9,11-13,15,18,20-22,27-29,32-52H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,31-30-
HMDB42597	TG(14:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,30-31,37,40,53H,4-6,8-9,11-13,15,18,20-22,27-29,32-36,38-39,41-52H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,31-30-,40-37-
HMDB42590	TG(14:0/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,30-31,37,40,53H,4-13,15,18,20-22,27-29,32-36,38-39,41-52H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,31-30-,40-37-
HMDB42591	TG(14:0/20:2n6/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,55H,4-13,15,18,20-22,27-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-
HMDB42592	TG(14:0/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,29-30,33,36,55H,4-13,15,18,20-22,27-28,31-32,34-35,37-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,30-29-,36-33-
HMDB42593	TG(14:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,29-30,33,36,42,45,55H,4-13,15,18,20-22,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,30-29-,36-33-,45-42-
HMDB43519	TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,38,41,53H,4-15,17-18,21-22,24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b19-16-,23-20-,27-25-,32-30-,41-38-
HMDB43518	TG(15:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,36,39,51H,4-15,17-18,21-22,24,27,29,31-35,37-38,40-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-,39-36-
HMDB29997	10,12-Heptacosanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C27H52O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-27(29)25-26(28)23-21-19-17-10-8-6-4-2/h3-25H2,1-2H3
HMDB29996	9-Hentriacontanone	CCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC	InChI=1S/C31H62O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-31(32)29-27-25-10-8-6-4-2/h3-30H2,1-2H3
HMDB29995	15-Hentriacontanol	CCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCC	InChI=1S/C31H64O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(32)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
HMDB37625	Allyl tiglate	C\C=C(\C)C(=O)OCC=C	InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5-
HMDB29993	2-Methyl-3-nonacosanone	CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C)C	InChI=1S/C30H60O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(31)29(2)3/h29H,4-28H2,1-3H3
HMDB29992	Tetrahydropentoxyline	OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=CC=CC=C21)C(O)=O	InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)
HMDB29991	Dulciol C	CC(C)=CCC1=C(O)C(O)=C(CCC(C)(C)O)C2=C1OC1=C(C(O)=C(C=C1O)C(C)(C)C=C)C2=O	InChI=1S/C28H34O7/c1-8-27(4,5)17-13-18(29)26-20(23(17)32)24(33)19-15(11-12-28(6,7)34)21(30)22(31)16(25(19)35-26)10-9-14(2)3/h8-9,13,29-32,34H,1,10-12H2,2-7H3
HMDB29990	Dulciol A	CC(C)=CCC\C(C)=C\CC1=C(O)C(O)=C(CC=C(C)C)C2=C1OC1=C(C(O)=CC(O)=C1)C2=O	InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-20-26(32)25(31)19(11-9-16(3)4)23-27(33)24-21(30)13-18(29)14-22(24)34-28(20)23/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
HMDB37628	Phenethyl tiglate	C\C=C(\C)C(=O)OCCC1=CC=CC=C1	InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3-
HMDB37629	Isobutyl angelate	C\C=C(\C)C(=O)OCC(C)C	InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-
HMDB14339	Tramadol	COC1=CC=CC(=C1)[C@@]1(O)CCCC[C@@H]1CN(C)C	InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
HMDB14338	Indecainide	CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12	InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)
HMDB45091	TG(18:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,31-32,34,37,40,59H,4-15,17-18,21-22,24,26-27,30,33,35-36,38-39,41-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,34-29-,40-37-
HMDB14333	Esmolol	COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1	InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
HMDB14332	Lorazepam	OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2	InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
HMDB14331	Cevimeline	CC1O[C@@]2(CS1)CN1CCC2CC1	InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8?,10-/m1/s1
HMDB14330	Nicotine	CN1CCCC1C1=CN=CC=C1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
HMDB14337	Phentermine	CC(C)(N)CC1=CC=CC=C1	InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
HMDB14336	Carbidopa	O.C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O	InChI=1S/C10H14N2O4.H2O/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;/h2-4,12-14H,5,11H2,1H3,(H,15,16);1H2/t10-;/m0./s1
HMDB14335	Ethchlorvynol	[H]C(Cl)=CC(O)(CC)C#C	InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+
HMDB14334	Bortezomib	CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
HMDB45093	TG(18:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,19-20,22,26,28-29,31,55H,4-7,9-10,12-16,18,21,23-25,27,30,32-54H2,1-3H3/b11-8-,20-17-,22-19-,29-26-,31-28-
HMDB08505	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,32,34,46H,6-7,9,11-13,15,17-19,24-25,27,29-31,33,35-45H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1
HMDB08504	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,32,34,46H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-45H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,34-32-/t46-/m1/s1
HMDB08507	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26-29,32-35,46H,6-7,9,11-13,15,17-19,24-25,30-31,36-45H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08506	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,32,34,46H,6-7,9,11-13,18-19,24-25,27,29-31,33,35-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,34-32-/t46-/m1/s1
HMDB08501	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29-32,44H,6-7,9,11-13,18-19,23,27-28,33-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
HMDB08500	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,30,32,44H,6-7,9,11-13,18-19,23,27-29,31,33-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB08503	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H74NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,44H,6-7,12-13,18-19,23,27-28,33-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
HMDB08502	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,30,32,44H,6-7,12-13,18-19,23,27-29,31,33-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
HMDB45097	TG(18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,31-32,34,37,40,59H,4-6,8-9,11-15,17-18,21-22,24,26-27,30,33,35-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,34-29-,40-37-
HMDB08509	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,46H,6-7,9,11-13,18-19,24-25,30-31,36-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
HMDB08508	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32,34,46H,6-7,9,11-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1
HMDB36579	Carotol	CC(C)C1CCC2(C)CC=C(C)CCC12O	InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3
HMDB36578	Cyperotundone	CC1CCC2CC3=C(C)C(=O)CC13C2(C)C	InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3
HMDB11866	Ganglioside GD3 (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C76H139N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(90)79-50(51(86)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-101-71-65(95)64(94)67(57(46-83)103-71)104-72-66(96)70(62(92)55(44-81)102-72)108-76(74(99)100)42-53(88)60(78-49(4)85)69(107-76)63(93)56(45-82)105-75(73(97)98)41-52(87)59(77-48(3)84)68(106-75)61(91)54(89)43-80/h50-57,59-72,80-83,86-89,91-96H,5-47H2,1-4H3,(H,77,84)(H,78,85)(H,79,90)(H,97,98)(H,99,100)/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68?,69?,70-,71+,72-,75+,76-/m0/s1
HMDB11867	Ganglioside GD3 (d18:0/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C76H135N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(90)79-50(51(86)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-101-71-65(95)64(94)67(57(46-83)103-71)104-72-66(96)70(62(92)55(44-81)102-72)108-76(74(99)100)42-53(88)60(78-49(4)85)69(107-76)63(93)56(45-82)105-75(73(97)98)41-52(87)59(77-48(3)84)68(106-75)61(91)54(89)43-80/h19-20,37,39,50-57,59-72,80-83,86-89,91-96H,5-18,21-36,38,40-47H2,1-4H3,(H,77,84)(H,78,85)(H,79,90)(H,97,98)(H,99,100)/b20-19-,39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68?,69?,70-,71+,72-,75+,76-/m0/s1
HMDB11860	Ganglioside GD3 (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C70H125N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h15,17,44-51,53-66,74-77,80-83,85-90H,5-14,16,18-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b17-15-/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1
HMDB11861	Ganglioside GD3 (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C70H125N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h19-20,44-51,53-66,74-77,80-83,85-90H,5-18,21-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b20-19-/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1
HMDB11862	Ganglioside GD3 (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C72H131N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(86)75-46(47(82)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-97-67-61(91)60(90)63(53(42-79)99-67)100-68-62(92)66(58(88)51(40-77)98-68)104-72(70(95)96)38-49(84)56(74-45(4)81)65(103-72)59(89)52(41-78)101-71(69(93)94)37-48(83)55(73-44(3)80)64(102-71)57(87)50(85)39-76/h46-53,55-68,76-79,82-85,87-92H,5-43H2,1-4H3,(H,73,80)(H,74,81)(H,75,86)(H,93,94)(H,95,96)/t46-,47+,48-,49-,50+,51+,52+,53+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64?,65?,66-,67+,68-,71+,72-/m0/s1
HMDB11863	Ganglioside GD3 (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C74H135N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(88)77-48(49(84)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-99-69-63(93)62(92)65(55(44-81)101-69)102-70-64(94)68(60(90)53(42-79)100-70)106-74(72(97)98)40-51(86)58(76-47(4)83)67(105-74)61(91)54(43-80)103-73(71(95)96)39-50(85)57(75-46(3)82)66(104-73)59(89)52(87)41-78/h48-55,57-70,78-81,84-87,89-94H,5-45H2,1-4H3,(H,75,82)(H,76,83)(H,77,88)(H,95,96)(H,97,98)/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66?,67?,68-,69+,70-,73+,74-/m0/s1
HMDB36571	Linalool 3,7-oxide beta-primeveroside	CC1(C)OC(C)(CCC1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C	InChI=1S/C21H36O11/c1-5-21(4)7-6-12(20(2,3)32-21)31-19-17(27)15(25)14(24)11(30-19)9-29-18-16(26)13(23)10(22)8-28-18/h5,10-19,22-27H,1,6-9H2,2-4H3
HMDB36570	Pallidol; 3,3''-Di-O-b-D-glucopyranoside	OCC1OC(OC2=CC(O)=C3C(C4C(C(C5=C4C=C(OC4OC(CO)C(O)C(O)C4O)C=C5O)C4=CC=C(O)C=C4)C3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C40H42O16/c41-13-25-33(47)35(49)37(51)39(55-25)53-19-9-21-29(23(45)11-19)27(15-1-5-17(43)6-2-15)31-22-10-20(54-40-38(52)36(50)34(48)26(14-42)56-40)12-24(46)30(22)28(32(21)31)16-3-7-18(44)8-4-16/h1-12,25-28,31-52H,13-14H2
HMDB36573	1,3,5-Trithiane	C1SCSCS1	InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2
HMDB36572	3,5,8-Megastigmatrien-7-one	C\C=C\C(=O)C1=C(C)C=CCC1(C)C	InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
HMDB36575	Germacrene B	CC(C)=C1CC\C(C)=C/CC\C(C)=C/C1	InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6-,14-9-
HMDB11869	Ganglioside GD3 (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C78H143N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h52-59,61-74,82-85,88-91,93-98H,5-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67+,68+,69+,70?,71?,72-,73+,74-,77+,78-/m0/s1
HMDB36577	Trifluoromethanesulfonic acid	OS(=O)(=O)C(F)(F)F	InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
HMDB36576	4-Hydroxy-2-pyrrolidinecarboxylic acid	OC1CNC(C1)C(O)=O	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
HMDB28738	Asparaginyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C13H17N3O4/c14-9(6-8-4-2-1-3-5-8)12(18)16-10(13(19)20)7-11(15)17/h1-5,9-10H,6-7,14H2,(H2,15,17)(H,16,18)(H,19,20)
HMDB28739	Asparaginyl-Proline	NC(=O)CC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C9H15N3O4/c10-7(13)4-6(9(15)16)12-8(14)5-2-1-3-11-5/h5-6,11H,1-4H2,(H2,10,13)(H,12,14)(H,15,16)
HMDB28734	Asparaginyl-Isoleucine	CCC(C)C(N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C10H19N3O4/c1-3-5(2)8(12)9(15)13-6(10(16)17)4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)
HMDB28735	Asparaginyl-Leucine	CC(C)CC(N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C10H19N3O4/c1-5(2)3-6(11)9(15)13-7(10(16)17)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB28736	Asparaginyl-Lysine	NCCCCC(N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C10H20N4O4/c11-4-2-1-3-6(12)9(16)14-7(10(17)18)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)
HMDB28737	Asparaginyl-Methionine	CSCCC(N)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C9H17N3O4S/c1-17-3-2-5(10)8(14)12-6(9(15)16)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
HMDB28730	Asparaginyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C9H15N3O6/c10-4(1-2-7(14)15)8(16)12-5(9(17)18)3-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/p-1
HMDB28731	Asparaginyl-Glycine	NCC(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)
HMDB28732	Asparaginyl-Hydroxyproline	NC(=O)CC(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C9H15N3O5/c10-7(14)2-6(9(16)17)12-8(15)5-1-4(13)3-11-5/h4-6,11,13H,1-3H2,(H2,10,14)(H,12,15)(H,16,17)
HMDB28733	Asparaginyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CC(N)=O)C(O)=O	InChI=1S/C10H15N5O4/c11-6(1-5-3-13-4-14-5)9(17)15-7(10(18)19)2-8(12)16/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)
HMDB49419	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,33,40,43,58H,4-15,17,22,24,26,29-32,34-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,33-27-,43-40-
HMDB13648	Palmitoleoyl Ethanolamide	CCCCCC\C=C/CCCCCCCC(=O)NCCO	InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7-
HMDB13649	Eicosapentaenoyl Ethanolamide	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO	InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h3-4,6-7,9-10,12-13,15-16,24H,2,5,8,11,14,17-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-,13-12-,16-15-
HMDB13642	1-hydroxy-2-Oxopropyl tetrahydropterin	CC(=O)C(O)C1CNC2=C(N1)C(=O)NC(N)=N2	InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,6,12,16H,2H2,1H3,(H4,10,11,13,14,17)
HMDB13643	4b-Hydroxycholesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1
HMDB13640	(S)-Hydroxyoctadecanoyl-CoA	CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1C=CN=C2N	InChI=1S/C40H71N6O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(47)24-32(49)68-23-22-42-31(48)19-21-44-38(52)36(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-30-35(63-65(53,54)55)34(50)39(62-30)46-27-45-33-29(46)18-20-43-37(33)41/h18,20,27-28,30,34-36,39,47,50-51H,4-17,19,21-26H2,1-3H3,(H2,41,43)(H,42,48)(H,44,52)(H,56,57)(H,58,59)(H2,53,54,55)
HMDB58671	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB13646	Adenosine thiamine triphosphate	CC1=C(CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)SC=[N+]1CC1=CN=C(C)N=C1N	InChI=1S/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p+1/t14-,17+,18+,22-/m1/s1
HMDB13647	Adenosine thiamine diphosphate	CC1=C(CCOP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)SC=[N+]1CC1=CN=C(C)N=C1N	InChI=1S/C22H29N9O10P2S/c1-11-15(44-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-38-42(34,35)41-43(36,37)39-7-14-17(32)18(33)22(40-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H5-,23,24,25,26,27,29,34,35,36,37)/p+1/t14-,17+,18+,22-/m1/s1
HMDB58674	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB13645	N,N-Dimethylsphingosine	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C	InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
HMDB44824	TG(18:0/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,32,38,41,58H,4-7,9-10,12-16,18-19,21-25,27-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,32-26-,41-38-
HMDB52349	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,43,49,52,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-38-,52-49-
HMDB44825	TG(18:0/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,29-26-,38-35-
HMDB15525	Ursodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
HMDB43987	TG(16:0/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,60H,4-15,17-18,20-24,26,28-59H2,1-3H3/b19-16-,27-25-
HMDB15527	Prazepam	ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1	InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
HMDB15526	Ketazolam	CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1	InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
HMDB15521	Sulfamerazine	CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1	InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
HMDB15520	Oxprenolol	CC(C)NCC(O)COC1=CC=CC=C1OCC=C	InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
HMDB15523	Liotrix	[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O	InChI=1S/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1
HMDB15522	Sulfamethazine	CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1	InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
HMDB15529	Everolimus	CO[C@@H]1C[C@H](C[C@H](C)C2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3CC[C@H](C)[C@](O)(O3)C(=O)C(=O)N3CCCC[C@@H]3C(=O)O2)OC)CC[C@H]1OCCO	InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34+,35-,36-,38-,39-,40+,41+,43+,44-,45?,46+,48+,49-,53-/m0/s1
HMDB15528	Quazepam	FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2	InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
HMDB12069	Ganglioside GT3 (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C79H138N4O37/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(92)46(83-56(97)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-111-72-65(103)64(102)67(55(41-88)113-72)114-73-66(104)71(61(99)52(38-85)112-73)120-79(76(109)110)36-50(95)59(82-45(5)91)70(119-79)63(101)54(40-87)116-78(75(107)108)35-49(94)58(81-44(4)90)69(118-78)62(100)53(39-86)115-77(74(105)106)34-48(93)57(80-43(3)89)68(117-77)60(98)51(96)37-84/h30,32,46-55,57-73,84-88,92-96,98-104H,6-29,31,33-42H2,1-5H3,(H,80,89)(H,81,90)(H,82,91)(H,83,97)(H,105,106)(H,107,108)(H,109,110)/b32-30+/t46-,47+,48-,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68?,69?,70?,71-,72+,73-,77+,78+,79-/m0/s1
HMDB12068	Ganglioside GT3 (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C77H134N4O37/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-45(90)44(81-54(95)31-29-27-25-23-20-17-15-13-11-9-7-2)40-109-70-63(101)62(100)65(53(39-86)111-70)112-71-64(102)69(59(97)50(36-83)110-71)118-77(74(107)108)34-48(93)57(80-43(5)89)68(117-77)61(99)52(38-85)114-76(73(105)106)33-47(92)56(79-42(4)88)67(116-76)60(98)51(37-84)113-75(72(103)104)32-46(91)55(78-41(3)87)66(115-75)58(96)49(94)35-82/h28,30,44-53,55-71,82-86,90-94,96-102H,6-27,29,31-40H2,1-5H3,(H,78,87)(H,79,88)(H,80,89)(H,81,95)(H,103,104)(H,105,106)(H,107,108)/b30-28+/t44-,45+,46-,47-,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66?,67?,68?,69-,70+,71-,75+,76+,77-/m0/s1
HMDB12065	Ganglioside GT3 (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C89H160N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(107)93-56(57(102)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-121-82-75(113)74(112)77(65(51-98)123-82)124-83-76(114)81(71(109)62(48-95)122-83)130-89(86(119)120)46-60(105)69(92-55(5)101)80(129-89)73(111)64(50-97)126-88(85(117)118)45-59(104)68(91-54(4)100)79(128-88)72(110)63(49-96)125-87(84(115)116)44-58(103)67(90-53(3)99)78(127-87)70(108)61(106)47-94/h56-65,67-83,94-98,102-106,108-114H,6-52H2,1-5H3,(H,90,99)(H,91,100)(H,92,101)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81-,82+,83-,87+,88+,89-/m0/s1
HMDB12064	Ganglioside GT3 (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C88H158N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-65(106)92-55(56(101)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)51-120-81-74(112)73(111)76(64(50-97)122-81)123-82-75(113)80(70(108)61(47-94)121-82)129-88(85(118)119)45-59(104)68(91-54(5)100)79(128-88)72(110)63(49-96)125-87(84(116)117)44-58(103)67(90-53(4)99)78(127-87)71(109)62(48-95)124-86(83(114)115)43-57(102)66(89-52(3)98)77(126-86)69(107)60(105)46-93/h55-64,66-82,93-97,101-105,107-113H,6-51H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,106)(H,114,115)(H,116,117)(H,118,119)/t55-,56+,57-,58-,59-,60+,61+,62+,63+,64+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+,76+,77?,78?,79?,80-,81+,82-,86+,87+,88-/m0/s1
HMDB12067	Ganglioside GT3 (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C75H130N4O37/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-43(88)42(79-52(93)29-27-25-23-20-15-13-11-9-7-2)38-107-68-61(99)60(98)63(51(37-84)109-68)110-69-62(100)67(57(95)48(34-81)108-69)116-75(72(105)106)32-46(91)55(78-41(5)87)66(115-75)59(97)50(36-83)112-74(71(103)104)31-45(90)54(77-40(4)86)65(114-74)58(96)49(35-82)111-73(70(101)102)30-44(89)53(76-39(3)85)64(113-73)56(94)47(92)33-80/h26,28,42-51,53-69,80-84,88-92,94-100H,6-25,27,29-38H2,1-5H3,(H,76,85)(H,77,86)(H,78,87)(H,79,93)(H,101,102)(H,103,104)(H,105,106)/b28-26+/t42-,43+,44-,45-,46-,47+,48+,49+,50+,51+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64?,65?,66?,67-,68+,69-,73+,74+,75-/m0/s1
HMDB12066	Ganglioside GT3 (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H158N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(107)93-56(57(102)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-121-82-75(113)74(112)77(65(51-98)123-82)124-83-76(114)81(71(109)62(48-95)122-83)130-89(86(119)120)46-60(105)69(92-55(5)101)80(129-89)73(111)64(50-97)126-88(85(117)118)45-59(104)68(91-54(4)100)79(128-88)72(110)63(49-96)125-87(84(115)116)44-58(103)67(90-53(3)99)78(127-87)70(108)61(106)47-94/h20-21,56-65,67-83,94-98,102-106,108-114H,6-19,22-52H2,1-5H3,(H,90,99)(H,91,100)(H,92,101)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/b21-20-/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81-,82+,83-,87+,88+,89-/m0/s1
HMDB12061	Ganglioside GT3 (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C86H154N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(104)90-53(54(99)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-118-79-72(110)71(109)74(62(48-95)120-79)121-80-73(111)78(68(106)59(45-92)119-80)127-86(83(116)117)43-57(102)66(89-52(5)98)77(126-86)70(108)61(47-94)123-85(82(114)115)42-56(101)65(88-51(4)97)76(125-85)69(107)60(46-93)122-84(81(112)113)41-55(100)64(87-50(3)96)75(124-84)67(105)58(103)44-91/h53-62,64-80,91-95,99-103,105-111H,6-49H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,112,113)(H,114,115)(H,116,117)/t53-,54+,55-,56-,57-,58+,59+,60+,61+,62+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75?,76?,77?,78-,79+,80-,84+,85+,86-/m0/s1
HMDB12060	Ganglioside GT3 (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(103)89-52(53(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-117-78-71(109)70(108)73(61(47-94)119-78)120-79-72(110)77(67(105)58(44-91)118-79)126-85(82(115)116)42-56(101)65(88-51(5)97)76(125-85)69(107)60(46-93)122-84(81(113)114)41-55(100)64(87-50(4)96)75(124-84)68(106)59(45-92)121-83(80(111)112)40-54(99)63(86-49(3)95)74(123-83)66(104)57(102)43-90/h20-21,52-61,63-79,90-94,98-102,104-110H,6-19,22-48H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/b21-20-/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74?,75?,76?,77-,78+,79-,83+,84+,85-/m0/s1
HMDB12063	Ganglioside GT3 (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H154N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h20-21,54-63,65-81,92-96,100-104,106-112H,6-19,22-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/b21-20-/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76?,77?,78?,79-,80+,81-,85+,86+,87-/m0/s1
HMDB12062	Ganglioside GT3 (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C87H156N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h54-63,65-81,92-96,100-104,106-112H,6-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76?,77?,78?,79-,80+,81-,85+,86+,87-/m0/s1
HMDB58984	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,41-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,27,29-31,35,38-40,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,44-41-,45-42-,55-51-,56-52-/t77?,78-,79-/m1/s1
HMDB53109	TG(18:3(6Z,9Z,12Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,36,38-41,43,47,50,60H,4-6,8-9,11-15,22-24,30,32,35,37,42,44-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,50-47-
HMDB53108	TG(18:3(6Z,9Z,12Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,36,38-41,43,60H,4-6,8-9,11-15,22-24,30,32,35,37,42,44-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-
HMDB29469	Eupatilin	COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2O	InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
HMDB29468	Dolichin B	CC(=C)C(O)CC1=C2OC3C(COC4=CC(O)=CC=C34)C2=CC=C1O	InChI=1S/C20H20O5/c1-10(2)17(23)8-14-16(22)6-5-12-15-9-24-18-7-11(21)3-4-13(18)20(15)25-19(12)14/h3-7,15,17,20-23H,1,8-9H2,2H3
HMDB29467	Eugenitin	COC1=CC2=C(C(=O)C=C(C)O2)C(O)=C1C	InChI=1S/C12H12O4/c1-6-4-8(13)11-10(16-6)5-9(15-3)7(2)12(11)14/h4-5,14H,1-3H3
HMDB29466	Eugenitol	CC1=CC(=O)C2=C(O1)C=C(O)C(C)=C2O	InChI=1S/C11H10O4/c1-5-3-8(13)10-9(15-5)4-7(12)6(2)11(10)14/h3-4,12,14H,1-2H3
HMDB29465	Erosnin	O=C1OC2=CC3=C(C=CO3)C=C2C2=C1C1=CC3=C(OCO3)C=C1O2	InChI=1S/C18H8O6/c19-18-16-9-4-14-15(22-7-21-14)6-12(9)23-17(16)10-3-8-1-2-20-11(8)5-13(10)24-18/h1-6H,7H2
HMDB29464	Asteltoxin	CCC1OC2OC(\C=C/C=C/C=C/C3=C(C)C(OC)=CC(=O)O3)C(O)C2(C)C1(C)O	InChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9+,12-10-
HMDB29463	Gentisein	OC1=CC=C2OC3=C(C(O)=CC(O)=C3)C(=O)C2=C1	InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H
HMDB29462	(E)-2,4,4'-Trihydroxychalcone	OC1=CC=C(C=C1)C(=O)\C=C\C1=CC=C(O)C=C1O	InChI=1S/C15H12O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-9,16-17,19H/b8-4+
HMDB29461	Zapotin	COC1=CC=CC(OC)=C1C1=CC(=O)C2=C(O1)C=CC(OC)=C2OC	InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
HMDB29460	Xerocomic acid	OC(=O)C(=C1\OC(=O)C(=C1O)C1=CC=C(O)C(O)=C1)\C1=CC=C(O)C=C1	InChI=1S/C18H12O8/c19-10-4-1-8(2-5-10)14(17(23)24)16-15(22)13(18(25)26-16)9-3-6-11(20)12(21)7-9/h1-7,19-22H,(H,23,24)/b16-14+
HMDB55242	TG(18:3(9Z,12Z,15Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,38,44,47,60H,4-7,10,13-16,19,22-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,47-44-
HMDB50590	TG(20:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,31-32,37,40,57H,4-17,19,22,24,26,30,33-36,38-39,41-56H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,32-29-,40-37-
HMDB55243	TG(18:3(9Z,12Z,15Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,40,43,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-
HMDB38353	(3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triol	CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C2(O)C=CC2(O)CC(O)CCC12C	InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+
HMDB38352	Lucidenic acid N	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)
HMDB44794	TG(18:0/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,38,41,60H,4-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,33-31-,41-38-
HMDB38351	3,6-Dihydroxyspirostan-12-one; (3b,5a,6b,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucopyranosyl-(1-&gt;4)-b-D-galactopyranoside]	CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C50H80O24/c1-18-5-8-50(66-16-18)19(2)32-27(74-50)11-23-21-10-25(54)24-9-20(6-7-48(24,3)22(21)12-31(56)49(23,32)4)67-45-40(64)37(61)41(30(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)28(13-51)68-46)42(35(59)29(14-52)69-47)72-44-38(62)33(57)26(55)17-65-44/h18-30,32-47,51-55,57-64H,5-17H2,1-4H3
HMDB44795	TG(18:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,38,41,47,50,60H,4-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,41-38-,50-47-
HMDB38350	Goyaglycoside g	COC1OC23C=CC4C5(C)CCC(C(C)C\C=C\C(C)(C)OC6OC(CO)C(O)C(O)C6O)C5(C)CCC14C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)C	InChI=1S/C43H70O14/c1-22(10-9-15-38(2,3)56-36-34(51)32(49)30(47)25(21-45)54-36)23-13-16-41(7)26-14-17-43-27(42(26,37(52-8)57-43)19-18-40(23,41)6)11-12-28(39(43,4)5)55-35-33(50)31(48)29(46)24(20-44)53-35/h9,14-15,17,22-37,44-51H,10-13,16,18-21H2,1-8H3/b15-9+
HMDB38356	Sideritiflavone	COC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C(OC)=C1OC	InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(8-4-5-9(19)10(20)6-8)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3
HMDB44798	TG(18:0/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-57H2,1-3H3/b10-7-,19-16-,28-25-,36-33-
HMDB35107	20beta-Hydroxyursolic acid	CC1C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CCC1(C)O)C(O)=O	InChI=1S/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)
HMDB44799	TG(18:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-
HMDB38354	2-Ethoxy-4-(methoxymethyl)phenol	CCOC1=CC(COC)=CC=C1O	InChI=1S/C10H14O3/c1-3-13-10-6-8(7-12-2)4-5-9(10)11/h4-6,11H,3,7H2,1-2H3
HMDB42232	TG(14:0/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,36,39,58H,4-15,17-18,20-23,25,27-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,26-24-,32-30-,39-36-
HMDB06248	5-L-Glutamyl-L-alanine	C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
HMDB06240	Demethylated antipyrine	CC1=CC(=O)N(N1)C1=CC=CC=C1	InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3
HMDB06242	3,4-Dihydroxymandelaldehyde	OC(C=O)C1=CC(O)=C(O)C=C1	InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H
HMDB06243	Tetracosahexaenoyl CoA	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@@H](O)C1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38+,39?,40+,44-/m1/s1
HMDB06245	18-Hydroxyarachidonic acid	CC[C@@H](O)CC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-/t19-/m1/s1
HMDB06246	Tetracosatetraenoic acid (24:4n-6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-
HMDB06247	25-Hydroxycholesterol	[H]C12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23?,24?,26+,27-/m1/s1
HMDB44902	TG(18:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,29-30,35,37,56H,4-15,17-18,20,22-23,26,28,31-34,36,38-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,37-35-
HMDB55628	TG(20:4(8Z,11Z,14Z,17Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,38-41,43,62H,4-6,9,12-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-
HMDB55629	TG(20:4(8Z,11Z,14Z,17Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-6,9,12-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-
HMDB55626	TG(20:4(8Z,11Z,14Z,17Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,60H,4-6,9,12-15,22-24,31-33,40-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB55627	TG(20:4(8Z,11Z,14Z,17Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43,46,60H,4-6,9,12-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-
HMDB55624	TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,36,38-39,42,48,51,61H,4-6,9,12-14,21-23,30-31,33,35,37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,51-48-
HMDB55625	TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,35,58H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34,36-57H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,35-33-
HMDB55622	TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,34-37,42,45,59H,4-6,9,12-14,21-23,30-33,38-41,43-44,46-58H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-
HMDB55623	TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,36,38-39,42,61H,4-6,9,12-14,21-23,30-31,33,35,37,40-41,43-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-
HMDB55620	TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,34,38,41,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-37,39-40,42-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-
HMDB55621	TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,34-37,59H,4-6,9,12-14,21-23,30-33,38-58H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-
HMDB36944	Gibberellin A123	CC12CCCC(C)(C1C(C(O)=O)C13CC(=C)C(O)(C1)C(O)CC23)C(O)=O	InChI=1S/C20H28O6/c1-10-8-19-9-20(10,26)12(21)7-11(19)17(2)5-4-6-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)
HMDB36945	Gibberellin A125	CC1(CCCC2(C=O)C3CC(O)C4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O	InChI=1S/C20H26O7/c1-10-7-19-8-20(10,27)12(22)6-11(19)18(9-21)5-3-4-17(2,16(25)26)14(18)13(19)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26)
HMDB33710	1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione	COC1=C(O)C=CC(CCC(=O)CC(=O)CCC2=CC=CC=C2)=C1	InChI=1S/C20H22O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,23H,7-8,10-11,14H2,1H3
HMDB55194	TG(18:3(9Z,12Z,15Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,42,45,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-
HMDB55195	TG(18:3(9Z,12Z,15Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,38,42,45,51,54,64H,4-7,10,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,54-51-
HMDB55196	TG(18:3(9Z,12Z,15Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,35,61H,4-8,10-11,13-17,19-20,22-26,28-34,36-60H2,1-3H3/b12-9-,21-18-,35-27-
HMDB36947	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-apiofuranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-[b-D-glucopyranosyl-(1-&gt;3)]-a-L-rhamnopyranosyl-(1	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(OC6OCC(O)(CO)C6O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C84H132O46/c1-28-42(92)46(96)50(100)69(114-28)124-60-54(104)62(67(108)109)126-75(64(60)128-72-53(103)49(99)45(95)37(23-86)120-72)121-41-15-16-79(8)38(80(41,9)25-87)14-17-81(10)39(79)13-12-33-34-20-78(6,7)18-19-84(34,40(91)21-82(33,81)11)77(110)130-74-65(63(58(31(4)117-74)118-32(5)89)127-70-51(101)47(97)43(93)29(2)115-70)129-73-56(106)61(125-71-52(102)48(98)44(94)36(22-85)119-71)57(30(3)116-73)122-68-55(105)59(35(90)24-112-68)123-76-66(107)83(111,26-88)27-113-76/h12,25,28-31,34-66,68-76,85-86,88,90-107,111H,13-24,26-27H2,1-11H3,(H,108,109)
HMDB55190	TG(18:3(9Z,12Z,15Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,34-35,60H,4-7,10,13-16,19,22-25,28-33,36-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-
HMDB55191	TG(18:3(9Z,12Z,15Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,34-35,40,43,60H,4-7,10,13-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,43-40-
HMDB55192	TG(18:3(9Z,12Z,15Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,40,62H,4-7,10,13-16,19,22-25,28,30-35,38-39,41-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,40-37-
HMDB55193	TG(18:3(9Z,12Z,15Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,36-37,40,46,49,62H,4-7,10,13-16,19,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,36-27-,40-37-,49-46-
HMDB33716	3-Phenylpropanal	O=CCCC1=CC=CC=C1	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
HMDB55198	TG(18:3(9Z,12Z,15Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,31,33,50H,4-6,9,12-14,21-23,28-30,32,34-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,33-31-
HMDB55199	TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,52H,4-6,9,12-14,21-23,27,30,32-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-
HMDB36941	Smilagenone	CC1C2C(CC3C4CCC5CC(=O)CCC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3
HMDB45740	TG(20:0/18:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,25,28,52H,4-14,16-17,19-24,26-27,29-51H2,1-3H3/b18-15-,28-25-
HMDB33714	2-Methyl-2-pentenal	CC\C=C(\C)C=O	InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4-
HMDB36943	Oleragenoside	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H64O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,18,20-32,34-35,43,45-51H,8-17H2,1-6H3,(H,52,53)
HMDB32979	2,5-Dimethylthiophene	CC1=CC=C(C)S1	InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
HMDB45741	TG(20:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,54H,4-20,22-23,25,27-28,30-53H2,1-3H3/b24-21-,29-26-
HMDB47221	TG(24:0/18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,66H,4-20,22-23,25-65H2,1-3H3/b24-21-
HMDB07199	DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,39,42H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-/m0/s1
HMDB07198	DG(18:1(11Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,39,42H,3-10,12,15,18,20-21,23,25-38H2,1-2H3/b13-11-,16-14-,19-17-,24-22-/t39-/m0/s1
HMDB10689	PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H73O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,43-44,47-48H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10688	PG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,43-44,47-48H,3-4,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB10687	PG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,43-44,47-48H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10686	PG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,43-44,47-48H,3-5,7,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB10685	PG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H73O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,41-42,45-46H,3-5,7,9-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB10684	PG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,41-42,45-46H,3-5,7,9-10,15-16,20,23,25-40H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-,42+/m0/s1
HMDB07197	DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,20-21,24,26,30,32,41,44H,3-13,15,17-19,22-23,25,27-29,31,33-40H2,1-2H3/b16-14-,21-20-,26-24-,32-30-/t41-/m0/s1
HMDB10682	PG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43-44H,3-4,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB07195	DG(18:1(11Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42H,3-13,15,18,20-38H2,1-2H3/b16-14-,19-17-/t39-/m0/s1
HMDB07194	DG(18:1(11Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,39,42H,3-13,15,17-38H2,1-2H3/b16-14-/t39-/m0/s1
HMDB54571	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,36,62H,4-8,10-11,13-15,22-24,30-35,37-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,36-27-
HMDB54570	TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,36,41,44,50,53,63H,4-15,18,21-24,27,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-34-,44-41-,53-50-
HMDB54573	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,39,42,48,51,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-
HMDB54572	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32,34,36,39,42,62H,4-8,10-11,13-15,22-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-
HMDB54575	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,32-33,38,41,58H,4-7,10,13-15,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-
HMDB54574	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,32-33,58H,4-7,10,13-15,22-24,29-31,34-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-
HMDB54577	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,37,43,46,60H,4-7,10,13-15,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB54576	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,34-35,37,60H,4-7,10,13-15,22-24,30-33,36,38-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-
HMDB54579	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,39,42,48,51,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-
HMDB54578	TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32,34,36,39,42,62H,4-6,8,11,13-15,22-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-
HMDB47220	TG(24:0/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-39-42-45-48-51-54-60(62)65-58-59(66-61(63)55-52-49-46-43-40-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-
HMDB46855	TG(22:0/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-58H2,1-3H3/b12-9-,21-18-,33-27-
HMDB46854	TG(22:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,39,42,48,51,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,51-48-
HMDB46857	TG(22:0/18:4(6Z,9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,46,49,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,38-27-,49-46-
HMDB50984	TG(20:3(5Z,8Z,11Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-16,18-19,21-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB46856	TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,44,47,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,36-27-,47-44-
HMDB50985	TG(20:3(5Z,8Z,11Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,40,43,49,52,66H,4-16,18-19,21-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b20-17-,29-26-,30-27-,43-40-,52-49-
HMDB47223	TG(24:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-
HMDB46851	TG(22:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,37,60H,4-7,10,13-16,19,22-25,28,30-33,36,38-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,37-35-
HMDB50986	TG(20:3(5Z,8Z,11Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-16,18-19,21-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB46850	TG(22:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,32-33,38,41,58H,4-7,10,13-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,32-26-,33-27-,41-38-
HMDB10355	Cholestane-3,7,12,25-tetrol-3-glucuronide	[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O	InChI=1S/C33H56O10/c1-16(7-6-11-31(2,3)41)19-8-9-20-24-21(15-23(35)33(19,20)5)32(4)12-10-18(13-17(32)14-22(24)34)42-30-27(38)25(36)26(37)28(43-30)29(39)40/h16-28,30,34-38,41H,6-15H2,1-5H3,(H,39,40)/t16-,17?,18?,19-,20?,21?,22?,23-,24?,25-,26+,27-,28+,30-,32+,33-/m1/s1
HMDB10354	16-alpha,17-beta-estriol 17-beta-D-glucuronide	[H][C@@]12C[C@@H](O)[C@H](O[C@@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
HMDB10357	Tetrahydroaldosterone-3-glucuronide	[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(CC[C@]3(C)C21)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O	InChI=1S/C27H40O11/c1-26-7-6-12(36-24-21(32)19(30)20(31)22(38-24)23(33)34)8-11(26)2-3-13-14-4-5-15(16(29)10-28)27(14)9-17(18(13)26)37-25(27)35/h11-15,17-22,24-25,28,30-32,35H,2-10H2,1H3,(H,33,34)/t11?,12?,13?,14?,15-,17+,18?,19-,20+,21-,22+,24-,25?,26+,27?/m1/s1
HMDB10356	Estriol 3-sulfate 16-glucuronide	[H][C@@]12C[C@@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3	InChI=1S/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23?,24+/m1/s1
HMDB10351	11-beta-hydroxyandrosterone-3-glucuronide	[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C25H38O9/c1-24-8-7-12(33-23-20(30)18(28)19(29)21(34-23)22(31)32)9-11(24)3-4-13-14-5-6-16(27)25(14,2)10-15(26)17(13)24/h11-15,17-21,23,26,28-30H,3-10H2,1-2H3,(H,31,32)/t11-,12+,13-,14-,15-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1
HMDB10350	2-Phenylethanol glucuronide	O[C@@H]1[C@@H](O)[C@H](OCCC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O	InChI=1S/C14H18O7/c15-9-10(16)12(13(18)19)21-14(11(9)17)20-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-17H,6-7H2,(H,18,19)/t9-,10-,11+,12-,14+/m0/s1
HMDB10353	15-hydroxynorandrostene-3,17-dione glucuronide	[H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)17(24)15(9-16(24)26)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8,12-15,17-21,23,27-29H,2-7,9H2,1H3,(H,30,31)/t12-,13+,14+,15-,17+,18-,19-,20+,21-,23+,24+/m0/s1
HMDB10352	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide	CC(O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O	InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)
HMDB50980	TG(20:3(5Z,8Z,11Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,37-38,41,47,50,63H,4-20,22-23,25,27-28,31-36,39-40,42-46,48-49,51-62H2,1-3H3/b24-21-,29-26-,37-30-,41-38-,50-47-
HMDB46852	TG(22:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,37,43,46,60H,4-7,10,13-16,19,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,46-43-
HMDB10359	17-hydroxyandrostane-3-glucuronide	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O	InChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18+,19-,20+,21+,23+,24-,25-/m0/s1
HMDB10358	17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)	[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3	InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(35-36(30,31)32)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-20(27)18(25)19(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
HMDB50981	TG(20:3(5Z,8Z,11Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36-37,40,42,45-46,49,62H,4-17,19-20,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b21-18-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB04085	Tuberculostearic acid	CCCCCCCCC(C)CCCCCCCCC(O)=O	InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
HMDB04086	5-Hydroxy-N-formylkynurenine	NC(CC(=O)C1=C(NC=O)C=CC(O)=C1)C(O)=O	InChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18)
HMDB04087	1-Benzyl-1,2,3,4-tetrahydroisoquinoline	C(C1NCCC2=CC=CC=C12)C1=CC=CC=C1	InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2
HMDB04080	Anandamide	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO	InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
HMDB04081	6-Hydroxymelatonin	COC1=C(O)C=C2NC=C(CCNC(C)=O)C2=C1	InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
HMDB04083	4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid	NC1=C(C=CC=C1O)C(=O)CC(=O)C(O)=O	InChI=1S/C10H9NO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-3,12H,4,11H2,(H,15,16)
HMDB50983	TG(20:3(5Z,8Z,11Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,38-39,41-42,48,51,64H,4-16,18-19,21-25,28,31-37,40,43-47,49-50,52-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,42-39-,51-48-
HMDB04089	Formylanthranilic acid	OC(=O)C1=CC=CC=C1NC=O	InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)
HMDB48527	TG(16:1(9Z)/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,33,36,42,45,58H,4-20,22-23,25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b24-21-,28-26-,36-33-,45-42-
HMDB32402	2-Methyl-3-heptanone	CCCCC(=O)C(C)C	InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
HMDB48525	TG(16:1(9Z)/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h21,24,26,31,56H,4-20,22-23,25,27-30,32-55H2,1-3H3/b24-21-,31-26-
HMDB48524	TG(16:1(9Z)/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-
HMDB48523	TG(16:1(9Z)/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-
HMDB48522	TG(16:1(9Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,55H,4-20,22-23,25-54H2,1-3H3/b24-21-
HMDB48521	TG(16:1(9Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-36-,48-45-
HMDB48520	TG(16:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-36-
HMDB53923	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-8,10-11,13-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-
HMDB53922	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-8,10-11,13-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-
HMDB53921	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-
HMDB53920	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-
HMDB53927	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-46,51-52,54-55,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,47-50,53,56-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-,55-52-
HMDB53926	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-6,8-9,11-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-
HMDB48529	TG(16:1(9Z)/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,62H,4-20,22-23,26,28-61H2,1-3H3/b24-21-,27-25-
HMDB48528	TG(16:1(9Z)/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-
HMDB42376	TG(14:0/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h19,22,25-28,51H,4-18,20-21,23-24,29-50H2,1-3H3/b22-19-,27-25-,28-26-
HMDB32405	3-Methylhexanal	CCCC(C)CC=O	InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3
HMDB12855	7-hydroxy-D4-neuroprostane	CC\C=C/C\C=C/CC1C(\C=C\C(O)C\C=C/CCC(O)=O)C(O)CC1=O	InChI=1S/C22H32O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+
HMDB12850	7'-Carboxy-gamma-chromanol	C[C@H](CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2)CCC(O)=O	InChI=1S/C20H30O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h12-13,21H,5-11H2,1-4H3,(H,22,23)/t13-,20-/m1/s1
HMDB12851	7'-carboxy-gamma-tocotrienol	C\C(CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C20H28O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h6,12,21H,5,7-11H2,1-4H3,(H,22,23)/b13-6+/t20-/m1/s1
HMDB54218	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB54219	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB12799	5'-Carboxy-gamma-chromanol	C[C@H](CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2)C(O)=O	InChI=1S/C18H26O4/c1-11(17(20)21)6-5-8-18(4)9-7-14-10-15(19)12(2)13(3)16(14)22-18/h10-11,19H,5-9H2,1-4H3,(H,20,21)/t11-,18-/m1/s1
HMDB12798	5'-Carboxy-alpha-chromanol	CC(CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C)C(O)=O	InChI=1S/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22)/t11?,19-/m1/s1
HMDB50474	TG(20:1(11Z)/18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-
HMDB50475	TG(20:1(11Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,32,57H,4-19,22,26-27,30-31,33-56H2,1-3H3/b23-20-,24-21-,28-25-,32-29-
HMDB50476	TG(20:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,30,36,39,56H,4-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,39-36-
HMDB42378	TG(14:0/18:1(9Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h13,16,22,24-25,27,51H,4-12,14-15,17-21,23,26,28-50H2,1-3H3/b16-13-,24-22-,27-25-
HMDB50470	TG(20:1(11Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,55H,4-20,22-23,26,28-54H2,1-3H3/b24-21-,27-25-
HMDB50471	TG(20:1(11Z)/18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,58H,4-20,22-23,27,30-57H2,1-3H3/b24-21-,28-25-,29-26-
HMDB50472	TG(20:1(11Z)/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,33,35,41,44,58H,4-20,22-23,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b24-21-,28-25-,29-26-,35-33-,44-41-
HMDB50473	TG(20:1(11Z)/18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,60H,4-20,22-23,27,30-59H2,1-3H3/b24-21-,28-25-,29-26-
HMDB47100	TG(24:0/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h61H,4-60H2,1-3H3
HMDB50479	TG(20:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33,35,41,44,58H,4-15,17-18,20,22-23,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-33-,44-41-
HMDB54217	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-44,46-47,60H,4-6,8-9,11-15,22-24,31-33,40-42,45,48-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB00350	3-Hydroxysebacic acid	OC(CCCCCCC(O)=O)CC(O)=O	InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
HMDB00351	3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	C[C@@H](O)[C@H](C)C(O)=O	InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m0/s1
HMDB00352	16a-Hydroxydehydroisoandrosterone	[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1
HMDB00353	3b,15b,17a-Trihydroxy-pregnenone	[H][C@@]12[C@H](O)C[C@](O)(CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C	InChI=1S/C21H32O4/c1-4-21(25)11-16(23)18-14-6-5-12-9-13(22)10-17(24)20(12,3)15(14)7-8-19(18,21)2/h10,12,14-16,18,22-23,25H,4-9,11H2,1-3H3/t12?,14-,15+,16-,18-,19+,20+,21-/m1/s1
HMDB00354	2-Methyl-3-hydroxybutyric acid	CC(O)C(C)C(O)=O	InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
HMDB00355	3-Hydroxymethylglutaric acid	CC(O)(CC(O)=O)CC(O)=O	InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
HMDB00356	17-Epiestriol	C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1C[C@@H](O)[C@H]2O	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13?,14?,15?,16-,17-,18+/m1/s1
HMDB00357	3-Hydroxybutyric acid	CC(O)CC(O)=O	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
HMDB00359	3a,7a-Dihydroxycoprostanic acid	[H][C@@]1(CC[C@@]2([H])C3[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C(O)=O	InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24?,26+,27-/m1/s1
HMDB54213	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB12535	12S-HHT	CCCCC[C@H](O)\C=C\C=C\C\C=C/CCCC(O)=O	InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1
HMDB12534	11R-HEPE	CC\C=C/C\C=C/C=C/[C@H](O)C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,9-6-,10-7-,14-11-,16-13+/t19-/m0/s1
HMDB12533	11beta-Hydroxytestosterone	C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2O	InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13?,14?,15-,16-,17?,18-,19-/m0/s1
HMDB32104	Glabranin	CCCCCCCCCC\C=C\CCC(O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-15-13-14-17-20-31(38)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12+
HMDB32105	1,2-Anhydridoniveusin	C\C=C(/C)C(=O)OC1CC2(C)OC(O)(C=C2)\C(CO)=C\C2OC(=O)C(=C)C12	InChI=1S/C20H24O7/c1-5-11(2)17(22)26-15-9-19(4)6-7-20(24,27-19)13(10-21)8-14-16(15)12(3)18(23)25-14/h5-8,14-16,21,24H,3,9-10H2,1-2,4H3/b11-5+,13-8+
HMDB32106	(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one	CC(C)C(C)\C=C\C(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1=CC3=O	InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+
HMDB32107	(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol	CC(C)C(C)\C=C\C(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1(O)C(O)C3O	InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h7-8,16-21,24-25,29-32H,9-15H2,1-6H3/b8-7+
HMDB32100	Omphalotin C	CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C2CC3(O)C(NC4=C3C=CC=C4)N2C(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)C(OC(C)=O)N(C)C(=O)C(C(C)C(C)OC(=O)CC(C)(C)O)N(C)C(=O)C(N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)(C)O)C(C)C	InChI=1S/C76H125N13O19/c1-29-43(11)55-66(98)84(24)58(42(9)10)69(101)85(25)57(41(7)8)67(99)80(20)37-51(91)82(22)61(75(18,19)105)71(103)87(27)60(45(13)46(14)107-53(93)36-74(16,17)104)70(102)88(28)72(108-47(15)90)63(95)78-54(39(3)4)65(97)86(26)59(44(12)30-2)68(100)81(21)38-52(92)89-50(64(96)83(23)56(40(5)6)62(94)79-55)35-76(106)48-33-31-32-34-49(48)77-73(76)89/h31-34,39-46,50,54-61,72-73,77,104-106H,29-30,35-38H2,1-28H3,(H,78,95)(H,79,94)
HMDB32101	Omphalotin D	CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C2CC3(O)C(NC4=C3C=CC=C4)N2C(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)C(OC(C)=O)N(C)C(=O)C(C(C)C(C)OC(C)=O)N(C)C(=O)C(N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)(C)O)C(C)C	InChI=1S/C73H119N13O18/c1-28-41(11)53-64(95)81(23)56(40(9)10)67(98)82(24)55(39(7)8)65(96)77(19)35-50(89)79(21)59(72(17,18)101)69(100)84(26)58(43(13)44(14)103-45(15)87)68(99)85(27)70(104-46(16)88)61(92)75-52(37(3)4)63(94)83(25)57(42(12)29-2)66(97)78(20)36-51(90)86-49(62(93)80(22)54(38(5)6)60(91)76-53)34-73(102)47-32-30-31-33-48(47)74-71(73)86/h30-33,37-44,49,52-59,70-71,74,101-102H,28-29,34-36H2,1-27H3,(H,75,92)(H,76,91)
HMDB32102	1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	OC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C(O)=O	InChI=1S/C13H12N2O4/c16-12(17)9-5-7-6-3-1-2-4-8(6)14-10(7)11(15-9)13(18)19/h1-4,9,11,14-15H,5H2,(H,16,17)(H,18,19)
HMDB32103	Muricatalicin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CC(O)CCCCCC(O)CCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)25-29(37)17-14-12-13-16-28(36)19-20-30(38)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3
HMDB47102	TG(24:0/20:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-
HMDB32108	(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3=CCC12C	InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,12,15,17-20,22-23,25,29-31H,9-11,13-14,16H2,1-6H3/b8-7+
HMDB32109	Koeniginequinone B	COC1=C(OC)C=C2C(NC3=C2C(=O)C(C)=CC3=O)=C1	InChI=1S/C15H13NO4/c1-7-4-10(17)14-13(15(7)18)8-5-11(19-2)12(20-3)6-9(8)16-14/h4-6,16H,1-3H3
HMDB52264	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,35,39-40,43,45,48,66H,4-8,10-11,13-16,19,22-24,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-
HMDB46549	TG(22:0/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-
HMDB46548	TG(22:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,41,44,50,53,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,44-41-,53-50-
HMDB57127	CL(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,37,42,44,52,56,77-79,84H,5-20,22-24,26,28-30,32,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57126	CL(18:0/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,37-38,41-42,77-79,84H,5-24,27,31,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,32-28-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB57125	CL(18:0/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,36-37,40-41,76-78,83H,5-24,26,28,30,32-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57124	CL(18:0/18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,37,41,76-78,83H,5-24,26,30,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,32-28-,41-37-/t76?,77-,78-/m1/s1
HMDB57123	CL(18:0/18:1(11Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,37,41,76-78,83H,5-24,26,28,30,32-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,41-37-/t76?,77-,78-/m1/s1
HMDB57122	CL(18:0/18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,35,37,39-40,42,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57121	CL(18:0/18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,35,37,39-40,42,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34,36,38,41,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,42-35-,52-48-/t79?,80-,81-/m1/s1
HMDB57120	CL(18:0/18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,35,37,39-40,42,48,52,60,64,79-81,86H,5-20,22-24,26-27,29-31,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57129	CL(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,36-37,41-42,44,52,56,77-79,84H,5-20,22-24,26,28-30,32,34-35,38-40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57128	CL(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,37,42,44,52,56,77-79,84H,5-20,22-24,26,29-30,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB47105	TG(24:0/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-
HMDB46541	TG(22:0/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,35,61H,4-20,22-23,25,27-28,31-34,36-60H2,1-3H3/b24-21-,29-26-,35-30-
HMDB46540	TG(22:0/20:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,66H,4-24,26,29,31-65H2,1-3H3/b28-25-,30-27-
HMDB53976	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,43,46,59H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB53977	TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-37,39-41,44,62H,4-6,8-9,11-15,22-24,31,33-34,38,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-
HMDB07979	PC(16:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,42H,6-13,15,17-19,22-41H2,1-5H3/b16-14-,21-20-/t42-/m1/s1
HMDB31746	Vescalin	OCC1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C2OC(=O)C4=C(C2O)C(O)=C(O)C(O)=C34)C1O	InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2
HMDB31745	1,2,4-Trigalloyl-beta-D-glucopyranose	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)21(38)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2
HMDB31744	Artocarbene	CC1(C)OC2=C(C=C1)C(O)=CC(\C=C/C1=CC=C(O)C=C1O)=C2	InChI=1S/C19H18O4/c1-19(2)8-7-15-17(22)9-12(10-18(15)23-19)3-4-13-5-6-14(20)11-16(13)21/h3-11,20-22H,1-2H3/b4-3-
HMDB31743	()-2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone	CC(C)=CCC1=C(O)C=CC(C2COC3=C(C(O)=CC(O)=C3CC=C(C)C)C2=O)=C1O	InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3
HMDB31742	4-(2-Nitroethyl)phenyl primeveroside	OC1COC(OCC2OC(OC3=CC=C(CCN(=O)=O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C19H27NO12/c21-11-7-29-18(16(25)13(11)22)30-8-12-14(23)15(24)17(26)19(32-12)31-10-3-1-9(2-4-10)5-6-20(27)28/h1-4,11-19,21-26H,5-8H2
HMDB31741	Coniferan	CCC(C)(C)C1CCCCC1OC(C)=O	InChI=1S/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3
HMDB31740	Methyl dihydrojasmonate	CCCCCC1C(CC(=O)OC)CCC1=O	InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
HMDB07971	PC(16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,40H,6-15,17,19-39H2,1-5H3/b18-16-/t40-/m1/s1
HMDB07970	PC(16:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
HMDB07973	PC(16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
HMDB07972	PC(16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
HMDB07975	PC(16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1
HMDB07974	PC(16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,25,27,40H,6-13,15,17-19,22-24,26,28-39H2,1-5H3/b16-14-,21-20-,27-25-/t40-/m1/s1
HMDB31749	Annomutacin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-13-12-15-20-31(38)21-16-14-17-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3
HMDB31748	Chinenoside I	CC(CCC1(O)OC2CC3C4CC(=O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OCC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C49H80O23/c1-19(15-64-44-40(61)36(57)35(56)30(14-50)69-44)5-10-49(63)20(2)32-29(72-49)13-24-22-12-26(51)25-11-21(6-8-47(25,3)23(22)7-9-48(24,32)4)68-46-41(62)37(58)42(71-45-39(60)34(55)28(53)17-66-45)31(70-46)18-67-43-38(59)33(54)27(52)16-65-43/h19-25,27-46,50,52-63H,5-18H2,1-4H3
HMDB35457	()-5-Hydroxy-4-octanone	CCCC(O)C(=O)CCC	InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3
HMDB35456	YGM 6	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(OC4=CC5=C(C=C(O)C=C5OC5OC(CO)C(O)C(O)C5O)[O+]=C4C4=CC(OC)=C(O)C=C4)OC(COC(=O)\C=C\C4=CC=C(O)C(O)=C4)C(O)C3O)C(O)C(O)C2O)=CC=C1O	InChI=1S/C53H56O27/c1-70-33-14-23(4-9-28(33)57)6-12-40(61)72-20-37-42(63)45(66)48(69)52(78-37)80-50-46(67)43(64)38(21-73-39(60)11-5-22-3-8-27(56)30(59)13-22)79-53(50)76-35-18-26-31(74-49(35)24-7-10-29(58)34(15-24)71-2)16-25(55)17-32(26)75-51-47(68)44(65)41(62)36(19-54)77-51/h3-18,36-38,41-48,50-54,62-69H,19-21H2,1-2H3,(H4-,55,56,57,58,59,60,61)/p+1
HMDB35455	YGM 4B	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C52H54O27/c1-70-33-14-23(6-9-28(33)57)48-34(17-25-31(73-48)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50)75-52-49(45(67)42(64)37(78-52)20-72-39(61)11-5-22-3-8-27(56)30(59)13-22)79-51-47(69)44(66)41(63)36(77-51)19-71-38(60)10-4-21-2-7-26(55)29(58)12-21/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)/p+1
HMDB35454	YGM 5A	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C50H52O26/c1-67-31-13-22(6-10-27(31)55)45-32(16-25-29(70-45)14-24(53)15-30(25)71-48-43(64)40(61)37(58)33(17-51)73-48)72-50-46(42(63)39(60)34(75-50)18-68-36(57)11-3-20-2-9-26(54)28(56)12-20)76-49-44(65)41(62)38(59)35(74-49)19-69-47(66)21-4-7-23(52)8-5-21/h2-16,33-35,37-44,46,48-51,58-65H,17-19H2,1H3,(H4-,52,53,54,55,56,57,66)/p+1
HMDB35453	Pelargonidin 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(-&gt;6)]-b-D-glucopyranoside] 5-O-(6-O-malonyl-b-D-glucopyranoside)	COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(COC(=O)CC(O)=O)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC=C1O	InChI=1S/C46H50O26/c1-63-26-10-18(2-8-23(26)50)3-9-32(53)64-16-30-36(57)39(60)43(72-45-41(62)37(58)34(55)28(15-47)69-45)46(71-30)68-27-13-22-24(66-42(27)19-4-6-20(48)7-5-19)11-21(49)12-25(22)67-44-40(61)38(59)35(56)29(70-44)17-65-33(54)14-31(51)52/h2-13,28-30,34-41,43-47,55-62H,14-17H2,1H3,(H3-,48,49,50,51,52,53)/p+1
HMDB35452	Pelargonidin 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[4-hydroxycinnamoyl-(-&gt;6)]-b-D-glucopyranoside](E-) 5-O-(6-O-malonyl-b-D-glucopyranoside)	OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC=C(O)C=C3)OC2OC2=CC3=C(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C45H48O25/c46-15-27-33(54)36(57)40(61)44(67-27)70-42-38(59)35(56)29(16-62-31(52)10-3-18-1-6-20(47)7-2-18)69-45(42)66-26-13-23-24(64-41(26)19-4-8-21(48)9-5-19)11-22(49)12-25(23)65-43-39(60)37(58)34(55)28(68-43)17-63-32(53)14-30(50)51/h1-13,27-29,33-40,42-46,54-61H,14-17H2,(H3-,47,48,49,50,51,52)/p+1
HMDB35451	Pelargonidin 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(-&gt;6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside	COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC=C1O	InChI=1S/C43H48O23/c1-58-25-10-17(2-8-22(25)48)3-9-30(49)59-16-29-33(52)36(55)40(66-42-38(57)35(54)32(51)28(15-45)64-42)43(65-29)62-26-13-21-23(60-39(26)18-4-6-19(46)7-5-18)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1
HMDB35450	Pelargonidin 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[4-hydroxycinnamoyl-(-&gt;6)]-b-D-glucopyranoside](E-) 5-O-b-D-glucopyranoside	OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC=C(O)C=C3)OC2OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C42H46O22/c43-14-26-30(49)33(52)36(55)40(61-26)59-24-12-21(47)11-23-22(24)13-25(38(58-23)18-4-8-20(46)9-5-18)60-42-39(64-41-37(56)34(53)31(50)27(15-44)62-41)35(54)32(51)28(63-42)16-57-29(48)10-3-17-1-6-19(45)7-2-17/h1-13,26-28,30-37,39-44,49-56H,14-16H2,(H2-,45,46,47,48)/p+1
HMDB35459	YGM 1A	OCC1OC(OC2=C3C=C(OC4OC(COC(=O)\C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4OC4OC(COC(=O)C5=CC=C(O)C=C5)C(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C49H50O26/c50-16-32-36(58)39(61)42(64)47(72-32)70-30-14-23(52)13-29-24(30)15-31(44(69-29)21-5-9-26(54)28(56)12-21)71-49-45(41(63)38(60)33(74-49)17-67-35(57)10-2-19-1-8-25(53)27(55)11-19)75-48-43(65)40(62)37(59)34(73-48)18-68-46(66)20-3-6-22(51)7-4-20/h1-15,32-34,36-43,45,47-50,58-65H,16-18H2,(H5-,51,52,53,54,55,56,57,66)/p+1
HMDB35458	Cyanidin 3-O-[4-Hydroxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside] 5-glucoside	OCC1OC(OC2=C3C=C(OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)\C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C42H46O23/c43-13-26-30(50)33(53)36(56)40(62-26)60-24-11-19(46)10-23-20(24)12-25(38(59-23)17-4-7-21(47)22(48)9-17)61-42-39(35(55)31(51)27(14-44)63-42)65-41-37(57)34(54)32(52)28(64-41)15-58-29(49)8-3-16-1-5-18(45)6-2-16/h1-12,26-28,30-37,39-44,50-57H,13-15H2,(H3-,45,46,47,48,49)/p+1
HMDB48173	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,38-39,41-42,54H,4-14,21-23,28-29,34-37,40,43-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB48174	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,33,35,41,44,56H,4-14,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,35-33-,44-41-
HMDB02222	3-Methylphenylacetic acid	CC1=CC(CC(O)=O)=CC=C1	InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
HMDB02220	N-Acetyl-6-O-L-fucosyl-D-glucosamine	C[C@@H]1OC(OCC(O)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)/t5-,7-,8?,9+,10+,11+,12+,13-,14?/m0/s1
HMDB02221	2,6,10-Trimethylundecanoic acid	CC(C)CCCC(C)CCCC(C)C(O)=O	InChI=1S/C14H28O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16)
HMDB02226	Adrenic acid	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O	InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-
HMDB02227	Capsaicin	COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1	InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
HMDB02224	5-Methyldeoxycytidine	CC1=CN([C@H]2CC(O)[C@@H](CO)O2)C(=O)N=C1N	InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6?,7-,8-/m1/s1
HMDB02229	3-Phenoxypropionic acid	OC(=O)CCOC1=CC=CC=C1	InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
HMDB48175	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31,33-35,37,41,44,56H,4-14,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB40310	5'-Hydroxy-3',4',7,8-tetramethoxyflavan	COC1=C(OC)C2=C(CCC(O2)C2=CC(OC)=C(OC)C(O)=C2)C=C1	InChI=1S/C19H22O6/c1-21-15-8-6-11-5-7-14(25-17(11)19(15)24-4)12-9-13(20)18(23-3)16(10-12)22-2/h6,8-10,14,20H,5,7H2,1-4H3
HMDB40311	3',4',5',7,8-Pentamethoxyflavan	COC1=CC(=CC(OC)=C1OC)C1CCC2=C(O1)C(OC)=C(OC)C=C2	InChI=1S/C20H24O6/c1-21-15-9-7-12-6-8-14(26-18(12)20(15)25-5)13-10-16(22-2)19(24-4)17(11-13)23-3/h7,9-11,14H,6,8H2,1-5H3
HMDB40312	(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone	CC(C)CC\C(C)=C/CC1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C=C1	InChI=1S/C24H28O5/c1-14(2)4-5-15(3)6-11-18-19(26)12-20(27)23-21(28)13-22(29-24(18)23)16-7-9-17(25)10-8-16/h6-10,12,14,22,25-27H,4-5,11,13H2,1-3H3/b15-6-
HMDB40313	Moracin O	CC(C)(O)C1CC2=CC3=C(OC(=C3)C3=CC(O)=CC(O)=C3)C=C2O1	InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
HMDB40314	2,4',5,7-Tetrahydroxyflavanone	OC1=CC=C(C=C1)C1(O)CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)15(20)7-12(19)14-11(18)5-10(17)6-13(14)21-15/h1-6,16-18,20H,7H2
HMDB40315	Moracin P	CC1(C)OC2=CC3=C(C=C(O3)C3=CC(O)=CC(O)=C3)C=C2CC1O	InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
HMDB40316	Blumeatin	COC1=CC2=C(C(=O)CC(O2)C2=CC(O)=CC(O)=C2)C(O)=C1	InChI=1S/C16H14O6/c1-21-11-5-12(19)16-13(20)7-14(22-15(16)6-11)8-2-9(17)4-10(18)3-8/h2-6,14,17-19H,7H2,1H3
HMDB40317	(E)-2'-Geranyl-3',4',7-trihydroxyflavanone	CC(C)=CCC\C(C)=C/CC1=C(C=CC(O)=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2	InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-9-19-18(11-12-21(27)25(19)29)24-14-22(28)20-10-8-17(26)13-23(20)30-24/h5,7-8,10-13,24,26-27,29H,4,6,9,14H2,1-3H3/b16-7-
HMDB40318	5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan	COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2C1=CC(OC)=C(O)C2=C1CCC(O2)C1=CC(O)=C(OC)C(OC)=C1	InChI=1S/C36H38O12/c1-41-27-15-21(19-7-9-25(47-33(19)31(27)39)17-11-23(37)35(45-5)29(13-17)43-3)22-16-28(42-2)32(40)34-20(22)8-10-26(48-34)18-12-24(38)36(46-6)30(14-18)44-4/h11-16,25-26,37-40H,7-10H2,1-6H3
HMDB40319	5',8,8''-Trihydroxy-3',3''',4',4''',5''',7',7''-heptamethoxy-5,5''-biflavan	COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2C1=CC(OC)=C(O)C2=C1CCC(O2)C1=CC(OC)=C(OC)C(OC)=C1	InChI=1S/C37H40O12/c1-41-27-16-22(20-8-10-25(48-34(20)32(27)39)18-12-24(38)36(46-6)29(13-18)43-3)23-17-28(42-2)33(40)35-21(23)9-11-26(49-35)19-14-30(44-4)37(47-7)31(15-19)45-5/h12-17,25-26,38-40H,8-11H2,1-7H3
HMDB51273	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-15,18,21-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB51272	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-15,18,21-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB51275	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-15,18,21-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB51274	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-15,18,21-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB51277	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-8,10-11,13-15,17,20,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB51276	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-8,10-11,13-15,17,20,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB08347	PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,27,29,33,35,46H,6-8,10,12-13,18-19,24-26,28,30-32,34,36-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08346	PC(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,27,29,46H,6-8,10,12-13,18-19,24-26,28,30-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,29-27-/t46-/m1/s1
HMDB08345	PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,33,35,46H,6-13,18-19,24-26,28,30-32,34,36-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08344	PC(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,46H,6-13,18-19,24-26,28,30-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-/t46-/m1/s1
HMDB08343	PC(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,27,29,33,35,46H,6-13,15,17-19,24-26,28,30-32,34,36-45H2,1-5H3/b16-14-,22-20-,23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08342	PC(20:2(11Z,14Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,46H,6-13,18-19,24-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t46-/m1/s1
HMDB08341	PC(20:2(11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,46H,6-13,15,17-19,24-45H2,1-5H3/b16-14-,22-20-,23-21-/t46-/m1/s1
HMDB08340	PC(20:2(11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,46H,6-13,15,17-19,21,23-45H2,1-5H3/b16-14-,22-20-/t46-/m1/s1
HMDB08349	PC(20:2(11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,48H,6-14,16,18-19,24-47H2,1-5H3/b17-15-,22-20-,23-21-/t48-/m1/s1
HMDB08348	PC(20:2(11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,48H,6-14,16,18-20,22,24-47H2,1-5H3/b17-15-,23-21-/t48-/m1/s1
HMDB54011	TG(20:3n6/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-
HMDB47029	TG(24:0/15:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-43-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
HMDB33079	Ganoderic acid V	CC(CC\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C32H48O6/c1-18(10-9-11-19(2)28(36)37)22-16-26(38-20(3)33)32(8)27-21(12-15-31(22,32)7)30(6)14-13-25(35)29(4,5)24(30)17-23(27)34/h11,18,22-24,26,34H,9-10,12-17H2,1-8H3,(H,36,37)/b19-11-
HMDB33078	Ganoderic acid W	CC(CC\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O	InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-28(41-22(4)36)34(9)29-23(13-16-33(24,34)8)32(7)15-14-27(40-21(3)35)31(5,6)26(32)18-25(29)37/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-
HMDB33077	Methyl 1-(1-propenylsulfinyl)propyl disulfide	CCC(SSC)S(=O)\C=C\C	InChI=1S/C7H14OS3/c1-4-6-11(8)7(5-2)10-9-3/h4,6-7H,5H2,1-3H3/b6-4+
HMDB33076	Methyl 1-(2-propenylsulfinyl)propyl disulfide	CCC(SSC)S(=O)CC=C	InChI=1S/C7H14OS3/c1-4-6-11(8)7(5-2)10-9-3/h4,7H,1,5-6H2,2-3H3
HMDB33075	Methyl 1-(methylsulfinyl)propyl disulfide	CCC(SSC)S(C)=O	InChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3
HMDB33074	1-(1-Propenylsulfinyl)propyl propyl disulfide	CCCSSC(CC)S(=O)\C=C\C	InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h5,8-9H,4,6-7H2,1-3H3/b8-5+
HMDB33073	1-Propenyl 1-(propylsulfinyl)propyl disulfide	CCCS(=O)C(CC)SS\C=C\C	InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4,7,9H,5-6,8H2,1-3H3/b7-4+
HMDB33072	(E)-1-Propenyl 1-(propylthio)propyl disulfide	CCCSC(CC)SS\C=C\C	InChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h5,8-9H,4,6-7H2,1-3H3/b8-5+
HMDB33071	Propyl 1-(propylsulfinyl)propyl disulfide	CCCSSC(CC)S(=O)CCC	InChI=1S/C9H20OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h9H,4-8H2,1-3H3
HMDB33070	Theaflavate A	OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C3=C2C=C(C=C(O)C3=O)C(=O)OC2CC3=C(OC2C2=CC=C(O)C(O)=C2)C=C(O)C(O)=C3)C(O)=C1	InChI=1S/C43H32O19/c44-19-10-24(46)22-13-35(62-43(58)18-7-28(50)37(54)29(51)8-18)41(60-33(22)11-19)21-12-31(53)39(56)36-20(21)3-17(6-30(52)38(36)55)42(57)61-34-9-16-5-26(48)27(49)14-32(16)59-40(34)15-1-2-23(45)25(47)4-15/h1-8,10-12,14,34-35,40-41,44-51,53-54,56H,9,13H2,(H,52,55)
HMDB47027	TG(24:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,38,41,46,49,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,41-38-,49-46-
HMDB57694	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,38,42,50,54,73-75,80H,5-20,22-24,29,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB08839	PE(14:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,37H,3-4,6,8-10,12,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,17-16-,20-19-/t37-/m1/s1
HMDB08838	PE(14:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,24,26,37H,3-10,12,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-,26-24-/t37-/m1/s1
HMDB08831	PE(14:0/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,35H,3-4,6,8-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,17-16-/t35-/m1/s1
HMDB08830	PE(14:0/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,20,22,35H,3-10,12,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-,22-20-/t35-/m1/s1
HMDB08833	PE(14:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1
HMDB08832	PE(14:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20,22,35H,3-4,6,8-10,12,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,17-16-,22-20-/t35-/m1/s1
HMDB08835	PE(14:0/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,37H,3-10,12,14-15,18-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-/t37-/m1/s1
HMDB08834	PE(14:0/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,37H,3-15,18-36,40H2,1-2H3,(H,43,44)/b17-16-/t37-/m1/s1
HMDB08837	PE(14:0/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,37H,3-10,12,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-/t37-/m1/s1
HMDB08836	PE(14:0/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,19-20,24,26,37H,3-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b17-16-,20-19-,26-24-/t37-/m1/s1
HMDB47026	TG(24:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,38,41,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,41-38-
HMDB59482	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,42-47,52-56,58,63,66-67,70,85-87,92H,5-8,11-12,15-20,24,28-32,39-41,48-51,57,59-62,64-65,68-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,70-66-/t85?,86-,87-/m1/s1
HMDB09128	PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23,25,39H,3-5,7,9-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-/m1/s1
HMDB09129	PE(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,39H,3-5,7,9-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1
HMDB09124	PE(18:3(6Z,9Z,12Z)/18:1(11Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,39H,3-10,12,15,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,19-17-,25-23-/t39-/m1/s1
HMDB09125	PE(18:3(6Z,9Z,12Z)/18:1(9Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,39H,3-10,12,14-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-,20-18-,25-23-/t39-/m1/s1
HMDB09126	PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,39H,3-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-,25-23-/t39-/m1/s1
HMDB09127	PE(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,39H,3-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1
HMDB09120	PE(18:3(6Z,9Z,12Z)/15:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,21-22,36H,3-10,12,14-16,19-20,23-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-,22-21-/t36-/m1/s1
HMDB09121	PE(18:3(6Z,9Z,12Z)/16:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,37H,3-10,12,14-16,19-20,22,24-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-,23-21-/t37-/m1/s1
HMDB09122	PE(18:3(6Z,9Z,12Z)/16:1(9Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,21,23,37H,3-10,12,15,19-20,22,24-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-,23-21-/t37-/m1/s1
HMDB09123	PE(18:3(6Z,9Z,12Z)/18:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,39H,3-10,12,14-16,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-,25-23-/t39-/m1/s1
HMDB47025	TG(24:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,34,36,41,44,58H,4-7,9-10,12-16,18-19,21-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,27-25-,36-34-,44-41-
HMDB45449	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-6,9,12-15,18,21-24,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-
HMDB45448	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,50,53,62H,4-6,9,12-15,18,21-24,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-
HMDB45447	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,9,12-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB45446	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,48,51,60H,4-6,9,12-15,18,21-24,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-
HMDB45445	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30-32,37-38,40-41,46,49,58H,4-6,9,12-15,18,21-24,27,29,33-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-,49-46-
HMDB45444	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30-32,37,40,46,49,58H,4-6,9,12-15,18,21-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,49-46-
HMDB45443	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-7,9-10,12-15,18,21-24,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-
HMDB45442	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,50,53,62H,4-7,9-10,12-15,18,21-24,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-
HMDB45441	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33,35,41,44,50,53,62H,4-7,9-10,12-15,18,21-24,27,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB45440	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-
HMDB29261	Kaempferol 3-O-arabinoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1	InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15-,17+,20+/m0/s1
HMDB29260	Apigenin 6-C-glucoside 8-C-arabinoside	OC[C@@H]1OC([C@H](O)[C@H]1O)C1=C2OC(=CC(=O)C2=C(O)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O)C1=CC=C(O)C=C1	InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2/t12-,13+,17-,18+,21+,22-,23-,25?,26?/m1/s1
HMDB29263	3,7-Dimethylquercetin	COC1=CC2=C(C(O)=C1)C(=O)C(OC)=C(O2)C1=CC(O)=C(O)C=C1	InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
HMDB29262	Quercetin 3,7,4'-O-triglucoside	[H]OC1=C([H])C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])=C([H])C2=C1C(=O)C(OC1([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H])=C(O2)C1=C([H])C(O[H])=C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C([H])=C1[H]	InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2
HMDB29265	Kaempferol 3-O-sinapoyl-caffeoyl-sophoroside 7-O-glucoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@@]2([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C3=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2O1	InChI=1S/C53H56O28/c1-71-30-14-22(15-31(72-2)38(30)61)5-12-36(60)73-19-33-40(63)44(67)47(70)52(78-33)81-50-45(68)41(64)34(20-74-35(59)11-4-21-3-10-26(56)27(57)13-21)79-53(50)80-49-42(65)37-28(58)16-25(75-51-46(69)43(66)39(62)32(18-54)77-51)17-29(37)76-48(49)23-6-8-24(55)9-7-23/h3-17,32-34,39-41,43-47,50-58,61-64,66-70H,18-20H2,1-2H3/b11-4+,12-5+/t32-,33-,34-,39-,40-,41-,43+,44+,45+,46-,47-,50-,51-,52+,53-/m1/s1
HMDB29264	Kaempferol 3-O-sophorotrioside 7-O-sophoroside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C(=O)C2=C(O[H])C([H])=C(OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])=C2O1	InChI=1S/C45H60O31/c46-7-17-23(53)29(59)34(64)41(68-17)74-38-31(61)25(55)19(9-48)70-43(38)66-14-5-15(52)22-16(6-14)67-36(12-1-3-13(51)4-2-12)37(28(22)58)73-44-40(33(63)27(57)20(10-49)71-44)76-45-39(32(62)26(56)21(11-50)72-45)75-42-35(65)30(60)24(54)18(8-47)69-42/h1-6,17-21,23-27,29-35,38-57,59-65H,7-11H2
HMDB36168	Bis(2-methyl-3-furanyl)tetrasulfide	CC1=C(SSSSC2=C(C)OC=C2)C=CO1	InChI=1S/C10H10O2S4/c1-7-9(3-5-11-7)13-15-16-14-10-4-6-12-8(10)2/h3-6H,1-2H3
HMDB36169	3-(5-Methyl-2-furanyl)butanal	CC(CC=O)C1=CC=C(C)O1	InChI=1S/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3
HMDB36166	2,3,4-Trimethyl-3-pentanol	CC(C)C(C)(O)C(C)C	InChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3
HMDB36167	Bis(2,5-dimethyl-3-furanyl) disulfide	CC1=CC(SSC2=C(C)OC(C)=C2)=C(C)O1	InChI=1S/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3
HMDB36164	Zingiberene	CC(CCC=C(C)C)C1CC=C(C)C=C1	InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3
HMDB36165	3-(Hydroxymethyl)-2-heptanone	CCCCC(CO)C(C)=O	InChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3
HMDB36162	3'-Hydroxy-HT2 toxin	CC(=O)OCC12CC(OC(=O)CC(C)(C)O)C(C)=CC1OC1C(O)C(O)C2(C)C11CO1	InChI=1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3
HMDB36163	beta-Sesquiphellandrene	CC(CCC=C(C)C)C1CCC(=C)C=C1	InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3
HMDB36160	8-Acetyl-T2 tetrol	CC(=O)OC1CC2(CO)C(OC3C(O)C(O)C2(C)C32CO2)C=C1C	InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3
HMDB36161	4-Propanoyl-HT2 toxin	CCC(=O)OC1C(O)C2OC3C=C(C)C(CC3(COC(C)=O)C1(C)C21CO1)OC(=O)CC(C)C	InChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3
HMDB48638	TG(16:1(9Z)/18:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24-27,31,56H,4-20,22-23,28-30,32-55H2,1-3H3/b24-21-,27-25-,31-26-
HMDB47023	TG(24:0/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,32,37,39,56H,4-7,9-10,12-16,18-19,21-24,26-31,33-36,38,40-55H2,1-3H3/b11-8-,20-17-,32-25-,39-37-
HMDB13272	N-Lauroylglycine	CCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)
HMDB13279	N-Nonanoylglycine	CCCCCCCCC(=O)NCC(O)=O	InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)
HMDB30869	Wistin	COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(OC)C=C2C1=O	InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3
HMDB30868	Citreoviridin A	COC1=CC(=O)OC(\C=C/C=C/C=C\C(\C)=C\C2(C)OC(C)C(C)(O)C2O)=C1C	InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9-,12-10-,15-14+
HMDB30861	Kuwanon D	CC1(C)C2CCC3(C)OC4=C(C=C(C5CC(=O)C6=C(O5)C=C(O)C=C6O)C(O)=C4)C1C23	InChI=1S/C25H26O6/c1-24(2)14-4-5-25(3)23(14)22(24)13-8-12(15(27)9-19(13)31-25)18-10-17(29)21-16(28)6-11(26)7-20(21)30-18/h6-9,14,18,22-23,26-28H,4-5,10H2,1-3H3
HMDB30860	Avicularin	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1O	InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2
HMDB30863	Kuwanon F	CC(C)=CCCC1(C)OC2=C(C=C1)C=C(C1CC(=O)C3=C(O1)C=C(O)C=C3O)C(O)=C2	InChI=1S/C25H26O6/c1-14(2)5-4-7-25(3)8-6-15-9-17(18(27)12-21(15)31-25)22-13-20(29)24-19(28)10-16(26)11-23(24)30-22/h5-6,8-12,22,26-28H,4,7,13H2,1-3H3
HMDB30862	Kuwanon E	CC(C)=CCC\C(C)=C\CC1=CC(C2CC(=O)C3=C(O2)C=C(O)C=C3O)=C(O)C=C1O	InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+
HMDB30865	Rubroskyrin	CC1=CC(=O)C2=C(C(O)=C3C4C(O)C(C(=O)C3=C2O)C23C4C(O)CC(O)=C2C(=O)C2=C(C(O)=C(C)C=C2O)C3=O)C1=O	InChI=1S/C30H22O12/c1-6-3-8(31)12-16(22(6)35)25(38)14-15-19-10(33)5-11(34)20-26(39)13-9(32)4-7(2)23(36)18(13)29(42)30(19,20)21(27(15)40)28(41)17(14)24(12)37/h3-4,10,15,19,21,27,32-34,36-38,40H,5H2,1-2H3
HMDB30864	Trifolin	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2
HMDB30867	Dihydro-5-(2-octenyl)-2(3H)-furanone	CCCCC\C=C\CC1CCC(=O)O1	InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+
HMDB30866	Deoxyrubroskyrin	CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)CC(O)C3C4C(O)C(C(=O)C5=C(O)C6=C(C(O)=C45)C(=O)C(C)=CC6=O)C13C2=O	InChI=1S/C30H22O11/c1-7-3-9-14(10(31)4-7)26(38)21-13(34)6-12(33)20-17-16-19(28(40)22(27(17)39)30(20,21)29(9)41)24(36)15-11(32)5-8(2)23(35)18(15)25(16)37/h3-5,12,17,20,22,27,31,33-34,36-37,39H,6H2,1-2H3
HMDB29892	Asiaticoside B	CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7C(O)CC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O	InChI=1S/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3
HMDB29893	Sucrose, 9CI, 8CI; Octa-Ac	CC(=O)OCC1OC(COC(C)=O)(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3
HMDB37707	Cinnamyl phenylacetate	O=C(CC1=CC=CC=C1)OC\C=C/C1=CC=CC=C1	InChI=1S/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7-
HMDB55855	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,33-36,40-41,43-44,63H,4-6,9,12-14,21-23,30-32,37-39,42,45-62H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB29891	Starch, 9CI, 8CI; Unbranched-form, Per-Ac	CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O	InChI=1S/C12H18O9/c1-5(13)18-4-8-9(16)10(19-6(2)14)11(12(17)21-8)20-7(3)15/h8-12,16-17H,4H2,1-3H3
HMDB47020	TG(24:0/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,38,41,60H,4-16,18-19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,27-25-,34-32-,41-38-
HMDB37701	Isopropyl cinnamate	CC(C)OC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8-
HMDB37700	Propyl cinnamate	CCCOC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8-
HMDB43135	TG(15:0/24:0/16:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB43134	TG(15:0/24:0/15:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3/h54H,4-53H2,1-3H3
HMDB43137	TG(15:0/24:0/20:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB43136	TG(15:0/24:0/18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB43131	TG(15:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,37,40,59H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-37-
HMDB37703	Isobutyl cinnamate	CC(C)COC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-
HMDB43133	TG(15:0/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB43132	TG(15:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-37-,49-46-
HMDB48634	TG(16:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,26,28,52H,4-18,20,23,25,27,29-51H2,1-3H3/b22-19-,24-21-,28-26-
HMDB37702	Butyl cinnamate	CCCCOC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9-
HMDB43139	TG(15:0/24:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3
HMDB43138	TG(15:0/24:0/22:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C64H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3
HMDB55854	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,36,39-40,43,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-
HMDB36830	Junicedral	CC(CCC1C(=C)CCC2C(C)(CCCC12C)C=O)CC=O	InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h13-15,17-18H,2,5-12H2,1,3-4H3
HMDB36831	Ambronide	CC12CCC3C(C)(C)CCCC3(C)C1CCO2	InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3
HMDB36832	Sterebin D	CC(=O)\C=C\C1C(C)(O)C(O)CC2C(C)(C)CCCC12C	InChI=1S/C18H30O3/c1-12(19)7-8-13-17(4)10-6-9-16(2,3)14(17)11-15(20)18(13,5)21/h7-8,13-15,20-21H,6,9-11H2,1-5H3/b8-7+
HMDB36833	Heliocide H2	CC(C)C1=C(O)C(O)=C(C=O)C2=C1C(=O)C1(C)CC=C(CCC=C(C)C)CC1C2=O	InChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-25(5)17(11-15)22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(25)30/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3
HMDB36834	18-Deoxysagittarol	CC1CCC2(C)C(CCC=C2C)C1(C)CCC(C)(O)C=C	InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3
HMDB36835	Sagittariol	CC1CCC2(C)C(CCC=C2CO)C1(C)CCC(C)(O)C=C	InChI=1S/C20H34O2/c1-6-18(3,22)12-13-19(4)15(2)10-11-20(5)16(14-21)8-7-9-17(19)20/h6,8,15,17,21-22H,1,7,9-14H2,2-5H3
HMDB36836	Cascarillin	CC1C(CC2(C)C(CCC(O)C2(C)O)C1(CC(O)C1=COC=C1)C=O)OC(C)=O	InChI=1S/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3
HMDB36837	Isocolumbin	CC12CC(OC(=O)C1CCC1(C)C2C2OC(=O)C1(O)C=C2)C1=COC=C1	InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3
HMDB36838	Betulin	CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12	InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3
HMDB36839	(ent-15beta)-15-Hydroxy-19-trachylobanoic acid	CC12C3CC4(CCC5C(C)(CCCC5(C)C(O)=O)C4CC13)C2O	InChI=1S/C20H30O3/c1-17-6-4-7-18(2,16(22)23)13(17)5-8-20-10-12-11(9-14(17)20)19(12,3)15(20)21/h11-15,21H,4-10H2,1-3H3,(H,22,23)
HMDB55857	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,32-33,37,40,60H,4-6,8-9,11-13,15,18,20-22,24,27,29-31,34-36,38-39,41-59H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,33-32-,40-37-
HMDB55164	TG(18:3(9Z,12Z,15Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,54H,4-6,9,12-15,18,21-24,28,31-32,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-
HMDB39387	2,6-Dihydroxy-4-quinolinecarboxylic acid; Me ester	COC(=O)C1=CC(=O)NC2=C1C=C(O)C=C2.COC(=O)C1=CC(O)=NC2=C1C=C(O)C=C2	InChI=1S/2C11H9NO4/c2*1-16-11(15)8-5-10(14)12-9-3-2-6(13)4-7(8)9/h2*2-5,13H,1H3,(H,12,14)
HMDB39386	5-Isopropyl-2-methyl-1,3-benzenediol; Di-O-b-D-glucopyranoside	CC(C)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C)C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C22H34O12/c1-8(2)10-4-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)12(5-10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3
HMDB39385	3-Hydroxy-4-isopropylbenzyl alcohol, 8CI; 3-O-b-D-Glucopyranoside	CC(C)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(CO)C=C1	InChI=1S/C16H24O7/c1-8(2)10-4-3-9(6-17)5-11(10)22-16-15(21)14(20)13(19)12(7-18)23-16/h3-5,8,12-21H,6-7H2,1-2H3
HMDB39384	Piceatannol 3,4'-diglucoside	OCC1OC(OC2=CC(\C=C/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3)=CC(O)=C2)C(O)C(O)C1O	InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-6-12(5-13(29)8-14)2-1-11-3-4-16(15(30)7-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1-
HMDB39383	Quercetin 7-(rhamnosylglucoside)	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C27H30O16/c1-8-17(32)20(35)23(38)26(39-8)43-25-21(36)18(33)15(7-28)42-27(25)40-10-5-13(31)16-14(6-10)41-24(22(37)19(16)34)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-21,23,25-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1
HMDB39382	(1xi,4xi,6xi)-Carvone oxide	CC(=C)C1CC2OC2(C)C(=O)C1	InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3
HMDB39381	Americanol A	OC\C=C/C1=CC2=C(OC(C(CO)O2)C2=CC=C(O)C(O)=C2)C=C1	InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1-
HMDB39380	Armillarin	COC1=CC(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(O)=C1	InChI=1S/C24H30O6/c1-13-6-16(29-5)8-18(26)20(13)21(27)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)28/h6-8,12,14,17,19,26,28H,9-11H2,1-5H3
HMDB55856	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,33-36,40-41,43-44,49,52,63H,4-6,9,12-14,21-23,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB39389	7-Oxociguatoxin	CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(OC1C%10O)\C=C/C(O)CO	InChI=1S/C60H86O20/c1-27-16-41-43(21-48-54(77-41)29(3)52(66)58-55(78-48)28(2)30(4)60(80-58)24-33(64)26-68-60)73-45-23-51-59(5,79-46(45)17-27)50(65)22-44-36(75-51)9-7-6-8-35-37(72-44)12-13-39-38(70-35)14-15-40-42(71-39)20-49-57(76-40)53(67)56-47(74-49)19-32(63)18-34(69-56)11-10-31(62)25-61/h6-7,10-15,27-31,33-58,61-62,64-67H,8-9,16-26H2,1-5H3/b7-6-,11-10-
HMDB39388	6,7-Dihydro-7-hydroxyciguatoxin	CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(O)CC(OC1C%10O)\C=C/C(O)CO	InChI=1S/C60H88O20/c1-27-16-41-43(21-48-54(77-41)29(3)52(66)58-55(78-48)28(2)30(4)60(80-58)24-33(64)26-68-60)73-45-23-51-59(5,79-46(45)17-27)50(65)22-44-36(75-51)9-7-6-8-35-37(72-44)12-13-39-38(70-35)14-15-40-42(71-39)20-49-57(76-40)53(67)56-47(74-49)19-32(63)18-34(69-56)11-10-31(62)25-61/h6-7,10-15,27-58,61-67H,8-9,16-26H2,1-5H3/b7-6-,11-10-
HMDB54209	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,35,41,44,58H,4-13,15,18,20-22,24,27,29-32,34,36-40,42-43,45-57H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,35-33-,44-41-
HMDB55851	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-34,37,40,60H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,35-36,38-39,41-59H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,33-32-,34-29-,40-37-
HMDB54208	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,36,38-39,42,44,47-48,51,61H,4-6,8-9,11-14,21-23,30-31,33,35,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-,51-48-
HMDB34090	(R)-Humulone	CC(C)CC(=O)C1=C(O)C(O)(CC=C(C)C)C(O)=C(CC=C(C)C)C1=O	InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,24-26H,8,10-11H2,1-6H3
HMDB34091	Ponasteroside A	CC(C)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)C(O)CC4(C)C3CCC12C	InChI=1S/C33H54O11/c1-16(2)6-7-25(37)32(5,41)24-9-11-33(42)18-12-20(35)19-13-22(43-29-28(40)27(39)26(38)23(15-34)44-29)21(36)14-30(19,3)17(18)8-10-31(24,33)4/h12,16-17,19,21-29,34,36-42H,6-11,13-15H2,1-5H3
HMDB34092	Physalin F	CC12OC(=O)C3(O)CCC4C(CC5OC55CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3
HMDB34093	Physalin H	CC12OC(=O)C3(O)CCC4C(CC(O)C5(Cl)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3
HMDB34094	Physalin C	CC12OC(=O)C3(O)CCC4C(CC=C5CC=CC(=O)C45C)C4(O)OC13C(C4=O)C1(C)CC2OC(=O)C1=C	InChI=1S/C28H30O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3
HMDB34095	Gambogic acid	CC(C)=CCCC1(C)OC2=C(C=C1)C(O)=C1C(=O)C3=CC4CC5C(C)(C)OC(C\C=C(\C)C(O)=O)(C4=O)C35OC1=C2CC=C(C)C	InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-
HMDB34096	Mammea B/BD	CCCC1=CC(=O)OC2=C(C(=O)C(C)C)C(O)=C(CC=C(C)C)C(O)=C12	InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-16(13)19(24)14(9-8-11(2)3)20(25)17(21)18(23)12(4)5/h8,10,12,24-25H,6-7,9H2,1-5H3
HMDB34097	Bicornin	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(OC4=C(O)C5=C(C=C4O)C(=O)OC4=C5C(=CC(O)=C4O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=C(O)C(O)=C3	InChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)58)42(65)76-40-38-26(72-48(78-44(67)13-5-21(53)31(60)22(54)6-13)41(40)77-43(66)12-3-19(51)30(59)20(52)4-12)10-71-45(68)16-9-23(55)32(61)35(64)36(16)73-37-25(57)8-14-27(34(37)63)28-15(47(70)74-38)7-24(56)33(62)39(28)75-46(14)69/h1-9,26,38,40-41,48-64H,10H2
HMDB34098	Kuwanol C	CC(C)=CCCC1(C)OC2=CC3=C(C(=O)CC(O3)C3=C(O)C=C(O)C=C3)C(O)=C2C=C1	InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-11,13,20,26-27,29H,4,9,12H2,1-3H3
HMDB34099	(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid	CC(C\C=C\C=C(/C)C(O)=O)C(O)=O	InChI=1S/C10H14O4/c1-7(9(11)12)5-3-4-6-8(2)10(13)14/h3-5,8H,6H2,1-2H3,(H,11,12)(H,13,14)/b4-3+,7-5+
HMDB57698	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-38,42,50,54,73-75,80H,5-20,22-24,26,29-30,36,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,37-34-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB43703	TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,39,42,55H,4-7,9-10,12-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB32139	1,2-Dimethoxybenzene	COC1=CC=CC=C1OC	InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
HMDB55853	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-44,47-48,51,62H,4-6,9,12-15,22-24,30-31,37-38,41,45-46,49-50,52-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-
HMDB32399	Methyl furfuracrylate	COC(=O)\C=C\C1=CC=CO1	InChI=1S/C8H8O3/c1-10-8(9)5-4-7-3-2-6-11-7/h2-6H,1H3/b5-4+
HMDB43705	TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34-36,38,57H,4-7,9-10,12-15,18,21-24,29,31,33,37,39-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-
HMDB32398	Methyl n-formylanthranilate	COC(=O)C1=CC=CC=C1NC=O	InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)
HMDB34546	Lucyoside M	CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C=O)C(O)C(O)C1O	InChI=1S/C44H68O15/c1-22(47)55-20-26-31(49)33(51)34(52)36(57-26)58-29-11-12-40(4)27(41(29,5)21-46)10-13-43(7)28(40)9-8-23-24-18-39(2,3)14-16-44(24,17-15-42(23,43)6)38(54)59-37-35(53)32(50)30(48)25(19-45)56-37/h8,21,24-37,45,48-53H,9-20H2,1-7H3
HMDB34547	Medicoside C	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C46H74O17/c1-41(2)13-15-46(40(56)57)16-14-44(5)22(23(46)17-41)7-8-28-42(3)11-10-29(43(4,21-48)27(42)9-12-45(28,44)6)61-38-35(31(52)25(50)20-59-38)63-39-36(33(54)32(53)26(18-47)60-39)62-37-34(55)30(51)24(49)19-58-37/h7,23-39,47-55H,8-21H2,1-6H3,(H,56,57)
HMDB34544	AzIII	CC1OC(OC2C(O)C(O)C(OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6CC(=O)C(O)=C(C)O6)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)=O)C(O)C(O)C1O	InChI=1S/C54H82O22/c1-22-32(57)26(56)18-31(69-22)71-30-20-49(3,4)19-25-24-10-11-28-51(6)14-13-29(52(7,21-55)27(51)12-15-54(28,9)53(24,8)17-16-50(25,30)5)72-47-42(37(62)35(60)40(73-47)44(65)66)76-48-43(38(63)36(61)41(74-48)45(67)68)75-46-39(64)34(59)33(58)23(2)70-46/h10,23,25,27-31,33-43,46-48,55,57-64H,11-21H2,1-9H3,(H,65,66)(H,67,68)
HMDB34545	AzIV	CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1	InChI=1S/C54H84O22/c1-23-34(59)26(58)17-33(69-23)72-32-19-49(2,3)18-25-24-9-10-30-51(5)13-12-31(52(6,22-57)29(51)11-14-54(30,8)53(24,7)16-15-50(25,32)4)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(21-56)71-47)75-46-41(66)37(62)35(60)27(20-55)70-46/h9,25,27-33,35-44,46-48,55-57,59-66H,10-22H2,1-8H3,(H,67,68)
HMDB34542	12-Oleanene-3,22,24-triol; (3b,22b)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;3)]-b-D-galactopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 22-O-[b-D-glucopyranosyl-(1-&gt;2)-a-L-arabinopyranoside]	CC1OC(OC2C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6(C)CCC54C)C3(C)CO)C(O)=O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C65H106O32/c1-24-35(71)40(76)45(81)54(87-24)97-52-48(93-55-46(82)41(77)37(73)28(19-66)88-55)39(75)30(21-68)90-59(52)96-51-44(80)43(79)49(53(84)85)94-58(51)91-33-12-13-62(5)31(63(33,6)23-69)11-14-65(8)32(62)10-9-25-26-17-60(2,3)18-34(61(26,4)15-16-64(25,65)7)92-57-50(36(72)27(70)22-86-57)95-56-47(83)42(78)38(74)29(20-67)89-56/h9,24,26-52,54-59,66-83H,10-23H2,1-8H3,(H,84,85)
HMDB34543	AzII	CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1	InChI=1S/C54H82O23/c1-22-32(58)25(57)17-31(70-22)72-30-19-49(2,3)18-24-23-9-10-28-51(5)13-12-29(52(6,21-56)27(51)11-14-54(28,8)53(23,7)16-15-50(24,30)4)73-47-42(37(63)35(61)40(74-47)44(66)67)77-48-43(38(64)36(62)41(75-48)45(68)69)76-46-39(65)34(60)33(59)26(20-55)71-46/h9,24,26-31,33-43,46-48,55-56,58-65H,10-21H2,1-8H3,(H,66,67)(H,68,69)
HMDB34540	Spinasaponin B	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-30(49)31(29(48)32(57-35)33(50)51)56-34-28(47)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)
HMDB34541	Ergosta-5,8,22-triene-3,7-diol; (3b,7b,22E,24R)-form, 5a,6a-Epoxide	CC(C)C(C)\C=C\C(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC11OC1C3O	InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+
HMDB47638	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,37,39,42,48,51,63H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-36,38,40-41,43-47,49-50,52-62H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-30-,42-39-,51-48-
HMDB34548	Avenacin A1	CNC1=CC=C(C=C1)C(=O)OC1CC2(C)CCC3(C)C4(OC4CC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2(O)CC1(C)C=O	InChI=1S/C55H83NO21/c1-48(24-59)23-54(69)49(2,19-35(48)74-44(68)26-8-10-27(56-7)11-9-26)16-17-53(6)52(5)15-12-31-50(3,32(52)18-34-55(53,54)77-34)14-13-33(51(31,4)25-60)75-47-43(76-46-42(67)40(65)37(62)29(21-58)72-46)38(63)30(22-70-47)73-45-41(66)39(64)36(61)28(20-57)71-45/h8-11,24,28-43,45-47,56-58,60-67,69H,12-23,25H2,1-7H3
HMDB34549	22alpha-Hydroxyerythrodiol	CC1(C)CC(O)C2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1	InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3
HMDB38476	7-Hydroxytrichodermol	CC1=CC2OC3CC(O)C(C)(C33CO3)C2(C)C(O)C1	InChI=1S/C15H22O4/c1-8-4-9(16)13(2)11(5-8)19-12-6-10(17)14(13,3)15(12)7-18-15/h5,9-12,16-17H,4,6-7H2,1-3H3
HMDB38477	Cassiaside B	COC1=CC2=CC3=C(C(=O)C=C(C)O3)C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)=C2C(O)=C1	InChI=1S/C26H30O14/c1-10-3-13(28)18-15(38-10)5-11-4-12(35-2)6-14(29)17(11)22(18)40-24-21(32)20(31)19(30)16(39-24)7-36-25-23(33)26(34,8-27)9-37-25/h3-6,16,19-21,23-25,27,29-34H,7-9H2,1-2H3
HMDB38474	Dilauryl 3,3'-thiodipropionate	CCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCC	InChI=1S/C30H58O4S2/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-36-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
HMDB38475	Mandelonitrile sophoroside	OCC1OC(OC2C(O)C(O)C(CO)OC2OC(C#N)C2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)29-20-18(16(27)14(25)12(8-23)31-20)32-19-17(28)15(26)13(24)11(7-22)30-19/h1-5,10-20,22-28H,7-8H2
HMDB38472	Luteolin 7-sulfate	OC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1	InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)
HMDB38473	Torachrysone	COC1=CC2=CC(C)=C(C(C)=O)C(O)=C2C(O)=C1	InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3
HMDB38470	Cynarotrioside	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-10-22(38)25(41)28(44)31(48-10)47-9-20-24(40)27(43)29(45)32(53-20)49-12-5-14(36)21-15(37)7-17(50-18(21)6-12)11-2-3-16(13(35)4-11)51-33-30(46)26(42)23(39)19(8-34)52-33/h2-7,10,19-20,22-36,38-46H,8-9H2,1H3
HMDB38471	Luteolin 4'-sulfate	OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(OS(O)(=O)=O)C(O)=C1	InChI=1S/C15H10O9S/c16-8-4-10(18)15-11(19)6-13(23-14(15)5-8)7-1-2-12(9(17)3-7)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)
HMDB38478	Rubrofusarin 6-gentiobioside	COC1=CC2=CC3=C(C(=O)C=C(C)O3)C(O)=C2C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C27H32O15/c1-9-3-12(29)18-13(39-9)5-10-4-11(37-2)6-14(17(10)21(18)32)40-27-25(36)23(34)20(31)16(42-27)8-38-26-24(35)22(33)19(30)15(7-28)41-26/h3-6,15-16,19-20,22-28,30-36H,7-8H2,1-2H3
HMDB38479	Licoflavonol	CC(C)=CCC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC=C(O)C=C2)C=C1O	InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15-16(17(13)23)18(24)19(25)20(26-15)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3
HMDB01033	Hydrogen sulfite	OS([O-])=O	InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
HMDB01031	Deoxyribose 5-phosphate	O[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1
HMDB47634	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-25,28,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,43-40-,52-49-
HMDB01036	Angiotensin III	CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1
HMDB47635	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-8,10-11,13-17,19-20,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB01035	Angiotensin II	CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
HMDB10214	19,20-DiHDPA	CCC(O)C(O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7-,10-8-,15-13-,16-14-
HMDB10216	5,15-DiHETE	CCCCC[C@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
HMDB10217	5-KETE	CCCCC\C=C/C\C=C/C\C=C/C=C/C(=O)CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
HMDB10210	15-KETE	CCCCCC(=O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
HMDB10211	17,18-DiHETE	CCC(O)C(O)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-
HMDB10212	17,18-EpETE	CCC1OC1C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-
HMDB10213	17-HDoHE	CC\C=C/CC(O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
HMDB10219	8,15-DiHETE	CCCCCC(O)\C=C\C=C/C=C/C(O)C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+
HMDB37019	6,8-Epoxy-p-menthane	CC1CCC2CC1OC2(C)C	InChI=1S/C10H18O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
HMDB37018	p-Mentha-1,8-dien-10-ol; ()-form, Ac	CC(=O)OCC(=C)C1CCC(C)=CC1	InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3
HMDB37011	5-Hydroxy-p-mentha-6,8-dien-2-one	CC(=C)C1CC(=O)C(C)=CC1O	InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8,10,12H,1,5H2,2-3H3
HMDB37010	(2S,4R)-p-Mentha-1(7),8-dien-2-ol	CC(=C)C1CCC(=C)C(O)C1	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3
HMDB37013	p-Mentha-1,3,8-triene	CC(=C)C1=CC=C(C)CC1	InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3
HMDB37012	2-Hydroxy-p-mentha-1,8-dien-6-one	CC(=C)C1CC(O)=C(C)C(=O)C1	InChI=1S/C10H14O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h8,11H,1,4-5H2,2-3H3
HMDB37015	p-Mentha-1,8-dien-4-ol	CC(=C)C1(O)CCC(C)=CC1	InChI=1S/C10H16O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,11H,1,5-7H2,2-3H3
HMDB37014	gamma-Diosphenol	CC(C)C1=C(O)C(=O)C(C)CC1	InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-7,12H,4-5H2,1-3H3
HMDB37017	p-Mentha-1,8-dien-10-ol	CC1=CCC(CC1)C(=C)CO	InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3
HMDB37016	p-Menth-1-en-5-ol	CC(C)C1CC=C(C)CC1O	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h4,7,9-11H,5-6H2,1-3H3
HMDB59566	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB45304	TG(18:0/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31-32,34,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-
HMDB45305	TG(18:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31-32,34,40,43,56H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,43-40-
HMDB45306	TG(18:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,33,58H,4-8,10-11,13-15,17,20,22-24,26,29-32,34-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-27-
HMDB45307	TG(18:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,36,39,58H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-
HMDB52898	TG(18:3(6Z,9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-32,36,38-39,41,58H,4-6,8-9,11-15,18,21-24,27,29,33-35,37,40,42-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-
HMDB52899	TG(18:3(6Z,9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-6,8-9,11-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-
HMDB52894	TG(18:3(6Z,9Z,12Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,35,38,54H,4-6,8-9,11-15,18,21-24,27,30-34,36-37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,38-35-
HMDB52895	TG(18:3(6Z,9Z,12Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,54H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-
HMDB52896	TG(18:3(6Z,9Z,12Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30,32,34,36,39,56H,4-6,8-9,11-15,18,21-24,27,29,31,33,35,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-
HMDB52897	TG(18:3(6Z,9Z,12Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30,32,34,36,39-40,43,56H,4-6,8-9,11-15,18,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB52890	TG(18:3(6Z,9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,32,34,36,39-40,43,56H,4-15,18,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB52891	TG(18:3(6Z,9Z,12Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,32,38,41,58H,4-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-,41-38-
HMDB52892	TG(18:3(6Z,9Z,12Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30-32,36,38-39,41,58H,4-15,18,21-24,27,29,33-35,37,40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-
HMDB45301	TG(18:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,27-28,30-31,55H,4-8,10-11,13-17,20,23-26,29,32-54H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,31-28-
HMDB45302	TG(18:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,37,54H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35-36,38-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-
HMDB55270	TG(18:3(9Z,12Z,15Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,35,41,44,57H,4-6,8,11,13,15,20,22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB45303	TG(18:0/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,21-22,25,27,30,55H,4-8,10-11,14-15,17,19-20,23-24,26,28-29,31-54H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,30-27-
HMDB45001	TG(18:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33-34,36-37,42-43,45-46,58H,4-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB49860	TG(18:1(9Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,51H,4-14,16-17,19-24,26,28-50H2,1-3H3/b18-15-,27-25-
HMDB49948	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,31,33,36,42,45,57H,4-13,15-16,18-22,24,29-30,32,34-35,37-41,43-44,46-56H2,1-3H3/b17-14-,26-23-,28-25-,31-27-,36-33-,45-42-
HMDB49949	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,32-34,36-37,43,46,58H,4-15,17-18,20-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b19-16-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB49946	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,31-33,36,42,45,57H,4-19,21-22,24,26,30,34-35,37-41,43-44,46-56H2,1-3H3/b23-20-,28-25-,31-27-,32-29-,36-33-,45-42-
HMDB49947	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-28,30-32,35-36,39,41,44,56H,4-16,18-19,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB49944	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-29,34,36,39,45,48,60H,4-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b28-25-,29-26-,34-27-,39-36-,48-45-
HMDB49945	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-29,36,38,41,47,50,62H,4-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,29-26-,36-27-,41-38-,50-47-
HMDB49942	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32,34,37,43,46,58H,4-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b28-25-,29-26-,32-27-,37-34-,46-43-
HMDB49943	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32-34,36-37,42-43,45-46,58H,4-24,30-31,35,38-41,44,47-57H2,1-3H3/b28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB49940	TG(18:1(9Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31,57H,4-24,26,29-30,32-56H2,1-3H3/b28-25-,31-27-
HMDB49941	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-28,30-32,35,41,44,56H,4-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,30-26-,31-27-,35-32-,44-41-
HMDB51213	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,40-41,43,47,49-50,52,64H,4-17,19-20,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB48307	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-30,32,53H,4-6,8-9,11-14,17,21-22,25,28,31,33-52H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-27-,32-30-
HMDB48303	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,31,33,54H,4-7,9-10,12-14,16,19,21-23,28-30,32,34-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,33-31-
HMDB58398	CL(18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-40,43,50,54,75-77,82H,5-20,22-24,26-27,29-31,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,32-28-,36-33-,38-34-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58395	CL(18:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,35-40,75-77,82H,5-24,27,31,33-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB58394	CL(18:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-39,74-76,81H,5-24,26-27,30-31,33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB49865	TG(18:1(9Z)/16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h21,24-27,33,58H,4-20,22-23,28-32,34-57H2,1-3H3/b24-21-,27-25-,33-26-
HMDB12187	All-trans-heptaprenyl diphosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21+,33-23+,34-25+,35-27+
HMDB12184	Adenosyl cobinamide phosphate	C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co++]CC3OC(C(O)C3O)N3C=NC4=C3N=CN=C4N)\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N)OP(O)(O)=O	InChI=1S/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43H,10-18,20-22H2,1-9H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;;/m1../s1
HMDB12185	Adenosylcobinamide-GDP	CC(CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC4=C2N=CN=C4N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N)NC2=O	InChI=1S/C58H86N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-25,28-31,33,45-46,49,52,82-83H,10-18,20-23H2,1-9H3,(H19,59,60,61,62,63,64,65,66,68,69,70,71,72,73,75,76,77,78,79,80,81,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t25?,28-,29-,30-,31+,33-,45-,46-,49?,52-,55-,56+,57+,58+;4-,6-,7-,10-;/m11./s1
HMDB12182	8-Hydroxypurine	OC1=NC2N=CN=CC2N1	InChI=1S/C5H6N4O/c10-5-8-3-1-6-2-7-4(3)9-5/h1-4H,(H2,8,9,10)
HMDB12183	8-Methylnonenoate	CC(C)\C=C\CCCCC(O)=O	InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+
HMDB12180	6-Oxocyclohex-1-ene-1-carboxyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1=O	InChI=1S/C28H42N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,17,20-22,26,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1
HMDB12188	All-trans-hexaprenyl diphosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+
HMDB12189	Aminopropylcadaverine	NCCCCCNCCCN	InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2
HMDB12238	Iodide	[I-]	InChI=1S/HI/h1H/p-1
HMDB12234	Histidinal	NC(CC1=CNC=N1)C=O	InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)
HMDB12235	Hydroxybupropion	CC(NC(C)(C)CO)C(=O)C1=CC(Cl)=CC=C1	InChI=1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3
HMDB12236	Imidazole acetol-phosphate	OP(O)(=O)OCC(=O)CC1=CNC=N1	InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)
HMDB12237	Inositol-P-ceramide	CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC	InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)
HMDB12230	Gamma-glutamyl-L-putrescine	NCCCCNC(=O)CC[C@H](N)C(O)=O	InChI=1S/C9H19N3O3/c10-5-1-2-6-12-8(13)4-3-7(11)9(14)15/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1
HMDB12231	Geranylfarnesyl diphosphate	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+
HMDB12232	Glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C156H260N2O67P2/c1-79(2)35-20-36-80(3)37-21-38-81(4)39-22-40-82(5)41-23-42-83(6)43-24-44-84(7)45-25-46-85(8)47-26-48-86(9)49-27-50-87(10)51-28-52-88(11)53-29-54-89(12)55-30-56-90(13)57-31-58-91(14)59-32-60-92(15)61-33-62-93(16)63-34-64-94(17)65-66-202-226(196,197)225-227(198,199)224-146-110(158-96(19)170)122(182)136(106(76-168)212-146)215-145-109(157-95(18)169)121(181)137(105(75-167)211-145)216-152-135(195)140(219-155-144(129(189)117(177)102(72-164)209-155)223-156-143(128(188)116(176)103(73-165)210-156)222-151-134(194)138(118(178)104(74-166)206-151)217-148-130(190)123(183)111(171)97(67-159)203-148)120(180)108(214-152)77-200-147-133(193)139(218-154-142(127(187)115(175)101(71-163)208-154)221-150-132(192)125(185)113(173)99(69-161)205-150)119(179)107(213-147)78-201-153-141(126(186)114(174)100(70-162)207-153)220-149-131(191)124(184)112(172)98(68-160)204-149/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,94,97-156,159-168,171-195H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-78H2,1-19H3,(H,157,169)(H,158,170)(H,196,197)(H,198,199)/b80-37+,81-39+,82-41+,83-43+,84-45+,85-47+,86-49+,87-51+,88-53+,89-55+,90-57+,91-59+,92-61+,93-63+/t94?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124+,125+,126+,127+,128+,129+,130-,131+,132+,133+,134+,135+,136-,137-,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148-,149-,150-,151-,152+,153+,154-,155-,156-/m1/s1
HMDB12233	Glutarate semialdehyde	OC(=O)CCCC=O	InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
HMDB40488	Quercetin 3-xylosyl-(1-&gt;6)-glucoside	OC1COC(OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2
HMDB53718	TG(20:3n6/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-
HMDB53719	TG(20:3n6/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,40,43,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-
HMDB56548	CL(16:0/16:1(9Z)/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,27-29,31-32,69-71,76H,5-24,26,30,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,31-27-,32-28-/t69?,70-,71-/m1/s1
HMDB40489	Isoquercitrin; 4''-O-a-L-Rhamnopyranosyl	CC1OC(OC2C(CO)OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O16/c1-8-17(33)19(35)21(37)26(39-8)42-24-15(7-28)41-27(22(38)20(24)36)43-25-18(34)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-22,24,26-33,35-38H,7H2,1H3
HMDB53714	TG(20:3n6/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45,48,62H,4-16,19,22-25,28,31-35,38,41-44,46-47,49-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB53715	TG(20:3n6/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,38,41,64H,4-15,17,20,22-24,26,29,31-37,39-40,42-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,41-38-
HMDB53716	TG(20:3n6/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,38,41-42,45,64H,4-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-
HMDB53717	TG(20:3n6/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,38,41-42,45,51,54,64H,4-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB53710	TG(20:3n6/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35-36,39-40,43,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-
HMDB53711	TG(20:3n6/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,35-36,39-40,43,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,52-49-
HMDB53712	TG(20:3n6/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,59H,4-15,17-18,20-24,26-27,29-32,34-35,37-58H2,1-3H3/b19-16-,28-25-,36-33-
HMDB53713	TG(20:3n6/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,62H,4-16,19,22-25,28,31-35,38,41-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-
HMDB46107	TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,30-31,38,41,56H,4-8,10-11,13-17,19-20,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,30-26-,31-27-,41-38-
HMDB50254	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-33,37,40,58H,4-6,9,12-15,18,21-24,29,34-36,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-
HMDB50255	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-33,37-38,40-41,58H,4-6,9,12-15,18,21-24,29,34-36,39,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-
HMDB50256	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,38-39,42,60H,4-6,9,12-15,18,21-24,30,32,36-37,40-41,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-
HMDB50257	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-35,38-39,42,44,47,60H,4-6,9,12-15,18,21-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB50250	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,38-39,42,44,47,60H,4-6,8-9,11-15,18,21-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB50251	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,33,35-36,41,44,62H,4-7,9-10,12-15,18,21-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-
HMDB50252	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-36,40-41,43-44,62H,4-7,9-10,12-15,18,21-24,30-31,37-39,42,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-
HMDB50253	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-36,40-41,43-44,49,52,62H,4-7,9-10,12-15,18,21-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-
HMDB50258	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,40-41,43-44,62H,4-6,9,12-15,18,21-24,30-31,37-39,42,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-
HMDB50259	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,40-41,43-44,49,52,62H,4-6,9,12-15,18,21-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-
HMDB54944	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,49,52,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,52-49-
HMDB54945	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB54946	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,51,54,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-40,43,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,54-51-
HMDB46106	TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,31,38,41,56H,4-8,10-11,13-17,19,22,24-26,28-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,23-20-,31-27-,41-38-
HMDB54940	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,36,39,45,48,59H,4-15,17-18,20-24,26-27,29-30,33-35,37-38,40-44,46-47,49-58H2,1-3H3/b19-16-,28-25-,32-31-,39-36-,48-45-
HMDB54941	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-15,18,21-24,27,30-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-
HMDB54942	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-
HMDB54943	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-
HMDB54948	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,38,41,47,50,61H,4-15,17-18,20-24,26-27,29-31,33,35-37,39-40,42-46,48-49,51-60H2,1-3H3/b19-16-,28-25-,34-32-,41-38-,50-47-
HMDB54949	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-15,18,21-24,27,30-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB57454	CL(16:1(9Z)/18:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,71-73,78H,5-24,26,30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB40484	Quercitrin; 2''-O-[b-D-Glucopyranosyl-(1-&gt;4)-4-hydroxycinnamoyl-(-&gt;6)-b-D-glucopyranosyl]	CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C42H46O23/c1-15-28(49)34(55)39(42(59-15)64-38-31(52)27-22(47)11-18(44)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-19(7-3-16)60-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+
HMDB30899	Eremopetasitenin A1	C\C=C(/C)C(=O)OC1C23OC2(CC2CCC(O)C(C)C12C)OC(=O)C3C	InChI=1S/C20H28O6/c1-6-10(2)15(22)24-17-18(5)11(3)14(21)8-7-13(18)9-19-20(17,26-19)12(4)16(23)25-19/h6,11-14,17,21H,7-9H2,1-5H3/b10-6+
HMDB32844	4,5-Dihydroniveusin A	C\C=C(\C)C(=O)OC1CC2(C)OC(O)(CC2O)C(CO)CC2OC(=O)C(=C)C12	InChI=1S/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5,12-16,21-22,25H,3,6-9H2,1-2,4H3/b10-5-
HMDB57558	CL(16:1(9Z)/18:1(11Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-32,35,37,72-74,79H,5-24,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB11769	Cer(d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,40-41,44-45H,3-16,19-39H2,1-2H3,(H,43,46)/b18-17-/t40-,41+/m0/s1
HMDB11768	Cer(d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1
HMDB11767	Cer(d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C41H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-40,43-44H,3-38H2,1-2H3,(H,42,45)/t39-,40+/m0/s1
HMDB11766	Cer(d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,38-39,42-43H,3-16,19-37H2,1-2H3,(H,41,44)/b18-17-/t38-,39+/m0/s1
HMDB11765	Cer(d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,41,44)/t38-,39+/m0/s1
HMDB11764	Cer(d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
HMDB11763	Cer(d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,34-35,38-39H,3-16,19-33H2,1-2H3,(H,37,40)/b18-17-/t34-,35+/m0/s1
HMDB11762	Cer(d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,34-35,38-39H,3-12,14,16-33H2,1-2H3,(H,37,40)/b15-13-/t34-,35+/m0/s1
HMDB11761	Cer(d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
HMDB11760	Cer(d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1
HMDB55011	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,40-45,49-54,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB55010	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,40-45,49,51-52,54,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-39,46-48,50,53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,54-51-
HMDB55013	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-15,18,21-24,31-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB55012	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,36,38-39,41,45,47-48,50,61H,4-15,17-18,20-24,27,30-31,33,35,37,40,42-44,46,49,51-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-,50-47-
HMDB55015	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,42-43,45,49,52,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,45-42-,52-49-
HMDB55014	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,40,43,49,52,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-
HMDB52049	TG(24:1(15Z)/16:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,35,38,60H,4-16,18-19,22-23,29-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,38-35-
HMDB52048	TG(24:1(15Z)/16:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,59H,4-13,15-16,18-20,22,28-58H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB52047	TG(24:1(15Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,38,41,58H,4-16,18-19,22-23,28-32,34-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-,41-38-
HMDB52046	TG(24:1(15Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-34-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,34,59H,4-19,22,26,29-33,35-58H2,1-3H3/b23-20-,24-21-,27-25-,34-28-
HMDB52045	TG(24:1(15Z)/16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,64H,4-20,22-23,29-63H2,1-3H3/b24-21-,27-25-,28-26-
HMDB52044	TG(24:1(15Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,57H,4-14,16-17,19-23,25,27-56H2,1-3H3/b18-15-,26-24-
HMDB52043	TG(24:1(15Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,38,41,46,49,60H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,49-46-
HMDB52042	TG(24:1(15Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,34,38,41,60H,4-7,9-10,12-14,16,19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,34-32-,41-38-
HMDB52041	TG(24:1(15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,34,36,41,44,58H,4-7,9-10,12-14,16,19,21-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,36-34-,44-41-
HMDB52040	TG(24:1(15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,34,36,58H,4-7,9-10,12-14,16,19,21-23,28-33,35,37-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,36-34-
HMDB04321	(+)-Limonene	CC(=C)[C@@H]1CCC(C)=CC1	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
HMDB01132	Nicotinic acid mononucleotide	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC=CC(C1)C(O)=O	InChI=1S/C11H16NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-3,6-10,13-14H,4-5H2,(H2-,15,16,17,18,19)/t6?,7-,8-,9-,10-/m1/s1
HMDB01131	Iminoaspartic acid	OC(=O)CC(=N)C(O)=O	InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)
HMDB01137	Hydroxymethylbilane	OCC1=C(CC(O)=O)C(CCC(O)=O)=C(CC2=C(CC(O)=O)C(CCC(O)=O)=C(CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=CN4)N3)N2)N1	InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)
HMDB04327	1-Butanol	CCCCO	InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
HMDB01134	Phosphoadenosine phosphosulfate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
HMDB04328	Temurin	CN1C(=O)N(C)C2=C1N(C)C(=O)N(C)C2=O	InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3
HMDB01139	Prostaglandin F2a	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,18-,19+/m0/s1
HMDB01138	N-Acetylglutamic acid	CC(=O)NC(CCC(O)=O)C(O)=O	InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
HMDB40013	5-(2-Furanyl)-3,4-dihydro-2H-pyrrole	C1CN=C(C1)C1=CC=CO1	InChI=1S/C8H9NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6H,1,3,5H2
HMDB40012	2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine	CC1=CC=C(O1)C1=CC=C2CCCN12	InChI=1S/C12H13NO/c1-9-4-7-12(14-9)11-6-5-10-3-2-8-13(10)11/h4-7H,2-3,8H2,1H3
HMDB40011	3-(2-Furanylmethyl)-1H-pyrrole	C(C1=CC=CO1)C1=CNC=C1	InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-5,7,10H,6H2
HMDB40010	1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone	CC(O)C(=O)C1=C(C)C(C)=C2CCCN12	InChI=1S/C12H17NO2/c1-7-8(2)11(12(15)9(3)14)13-6-4-5-10(7)13/h9,14H,4-6H2,1-3H3
HMDB40017	2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine	CCC(=O)C1=CC(C)=C2CCCN12	InChI=1S/C11H15NO/c1-3-11(13)10-7-8(2)9-5-4-6-12(9)10/h7H,3-6H2,1-2H3
HMDB40016	2-(2-Furanyl)-3,4,5,6-tetrahydropyridine	C1CCC(=NC1)C1=CC=CO1	InChI=1S/C9H11NO/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7H,1-2,4,6H2
HMDB40015	2,3,4,5-Tetrahydro-6-(5-methyl-2-furanyl)pyridine	CC1=CC=C(O1)C1=NCCCC1	InChI=1S/C10H13NO/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6H,2-4,7H2,1H3
HMDB40014	1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone	CCCC(=O)C1=CC=C2CCCN12	InChI=1S/C11H15NO/c1-2-4-11(13)10-7-6-9-5-3-8-12(9)10/h6-7H,2-5,8H2,1H3
HMDB40019	1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone	CCC1=CC(C(C)=O)=C2CCCN12	InChI=1S/C11H15NO/c1-3-9-7-10(8(2)13)11-5-4-6-12(9)11/h7H,3-6H2,1-2H3
HMDB40018	2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine	CCC(=O)C1=C(C)C=C2CCCN12	InChI=1S/C11H15NO/c1-3-10(13)11-8(2)7-9-5-4-6-12(9)11/h7H,3-6H2,1-2H3
HMDB57709	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,38-39,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,40-35-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57450	CL(16:1(9Z)/18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26,29-30,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB48224	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,35-36,38,54H,4-7,9-10,12-14,21-23,27,31-32,34,37,39-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-
HMDB48225	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB48226	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,40,43,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB48227	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB48220	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,31,33,37,40,58H,4-14,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-
HMDB48221	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,58H,4-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB48222	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,36-37,39-40,45,48,58H,4-14,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB48223	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,36,54H,4-7,9-10,12-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-
HMDB06789	Lactose 6-phosphate	OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1
HMDB48228	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB48229	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-
HMDB54056	TG(20:4(5Z,8Z,11Z,14Z)/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,60H,4-15,18,21-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB54057	TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,45,48,62H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB54054	TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-
HMDB54055	TG(20:4(5Z,8Z,11Z,14Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,34,40,43,57H,4-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-56H2,1-3H3/b19-16-,28-25-,34-32-,43-40-
HMDB54052	TG(20:4(5Z,8Z,11Z,14Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,41-42,44-45,58H,4-6,8-9,11-15,18,21-24,27,30-32,37-40,43,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB54053	TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB54050	TG(20:4(5Z,8Z,11Z,14Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,32,34,36,39-40,43,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB54051	TG(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,42,45,58H,4-6,8-9,11-15,18,21-24,27,30-32,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,45-42-
HMDB54058	TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-
HMDB54059	TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB51668	TG(22:1(13Z)/18:2(9Z,12Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35-36,38,61H,4-16,18-19,22-23,27,31-34,37,39-60H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-30-,38-36-
HMDB51669	TG(22:1(13Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35-36,38,44,47,61H,4-16,18-19,22-23,27,31-34,37,39-43,45-46,48-60H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-30-,38-36-,47-44-
HMDB51666	TG(22:1(13Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,33-34,39,42,59H,4-17,19,22,24,26,30-32,35-38,40-41,43-58H2,1-3H3/b21-18-,23-20-,28-25-,33-27-,34-29-,42-39-
HMDB51667	TG(22:1(13Z)/18:2(9Z,12Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,30,35,60H,4-13,15-16,18-20,22,27,29,31-34,36-59H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,35-30-
HMDB51664	TG(22:1(13Z)/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,39,65H,4-20,22-23,27,31-38,40-64H2,1-3H3/b24-21-,28-25-,29-26-,39-30-
HMDB51665	TG(22:1(13Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-30,34-35,60H,4-19,22,26-27,31-33,36-59H2,1-3H3/b23-20-,24-21-,28-25-,34-29-,35-30-
HMDB51662	TG(22:1(13Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,65H,4-24,27,30-64H2,1-3H3/b28-25-,29-26-
HMDB51663	TG(22:1(13Z)/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,37,63H,4-20,22-23,27,31-36,38-62H2,1-3H3/b24-21-,28-25-,29-26-,37-30-
HMDB51660	TG(22:1(13Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51661	TG(22:1(13Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB07788	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1
HMDB07789	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1
HMDB09328	PE(20:3(5Z,8Z,11Z)/20:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,23,25,29,31,43H,3-16,18,20-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b19-17-,25-23-,31-29-/t43-/m1/s1
HMDB09329	PE(20:3(5Z,8Z,11Z)/20:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23,25,29,31,43H,3-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-,25-23-,31-29-/t43-/m1/s1
HMDB07782	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-/t45-/m0/s1
HMDB07783	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,35,37,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m0/s1
HMDB07780	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,33,35,43,46H,3-4,9-10,15-16,21,23,25,30-32,34,36-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t43-/m0/s1
HMDB09325	PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,26-29,41H,3-11,13,15-16,20,24-25,30-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-/m1/s1
HMDB07786	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1
HMDB07787	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35,37,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t45-/m0/s1
HMDB07784	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,35,37,45,48H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m0/s1
HMDB09321	PE(20:3(5Z,8Z,11Z)/18:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,22-23,27,29,41H,3-16,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b19-17-,23-22-,29-27-/t41-/m1/s1
HMDB35949	Cyclopassifloside VI	CC(C)C(=O)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H58O11/c1-17(2)20(38)13-21(39)18(3)19-9-10-33(5)23-7-8-24-34(6,31(45)47-30-29(44)28(43)27(42)22(15-37)46-30)25(40)14-26(41)36(24)16-35(23,36)12-11-32(19,33)4/h17-19,21-30,37,39-44H,7-16H2,1-6H3
HMDB35948	Cyclopassifloic acid D	CC(C)C(=O)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O	InChI=1S/C30H48O6/c1-16(2)19(31)13-20(32)17(3)18-9-10-27(5)21-7-8-22-28(6,25(35)36)23(33)14-24(34)30(22)15-29(21,30)12-11-26(18,27)4/h16-18,20-24,32-34H,7-15H2,1-6H3,(H,35,36)
HMDB35945	Cyclopassifloic acid C	CC(C)C(O)(CO)CCC(C)(O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O	InChI=1S/C31H52O7/c1-18(2)30(38,17-32)14-12-27(5,37)19-9-10-25(3)20-7-8-21-28(6,24(35)36)22(33)15-23(34)31(21)16-29(20,31)13-11-26(19,25)4/h18-23,32-34,37-38H,7-17H2,1-6H3,(H,35,36)
HMDB35944	Cyclopassifloside I	CC(C)C(O)(CO)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C37H62O12/c1-18(2)36(47,17-39)14-21(40)19(3)20-9-10-33(5)23-7-8-24-34(6,31(46)49-30-29(45)28(44)27(43)22(15-38)48-30)25(41)13-26(42)37(24)16-35(23,37)12-11-32(20,33)4/h18-30,38-45,47H,7-17H2,1-6H3
HMDB35947	Cyclopassifloside V	CC(C)C(O)(CCC(C)(O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C43H72O17/c1-20(2)42(56,19-57-34-32(52)30(50)28(48)21(16-44)58-34)14-12-39(5,55)23-9-10-37(3)24-7-8-25-40(6,36(54)60-35-33(53)31(51)29(49)22(17-45)59-35)26(46)15-27(47)43(25)18-41(24,43)13-11-38(23,37)4/h20-35,44-53,55-56H,7-19H2,1-6H3
HMDB35946	Cyclopassifloside IV	CC(C)C(O)(CO)CCC(C)(O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C37H62O12/c1-19(2)36(47,18-39)14-12-33(5,46)21-9-10-31(3)22-7-8-23-34(6,30(45)49-29-28(44)27(43)26(42)20(16-38)48-29)24(40)15-25(41)37(23)17-35(22,37)13-11-32(21,31)4/h19-29,38-44,46-47H,7-18H2,1-6H3
HMDB35941	Kuwanol E	CC(C)=CCC1=C(O)C(=CC=C1O)C(=O)C1C(CC(C)=CC1C1=C(O)C=C(\C=C\C2=CC=C(O)C=C2O)C=C1O)C1=C(O)C=C(O)C=C1	InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+
HMDB35940	Mulberrofuran T	CC(C)=CCC1=C(O)C=CC2=C1OC(=C2)C1=CC(O)=C(C2C=C(C)CC(C2C(=O)C2=CC=C(O)C(CC=C(C)C)=C2O)C2=C(O)C=C(O)C=C2)C(O)=C1	InChI=1S/C44H44O9/c1-22(2)6-10-29-34(46)15-13-31(42(29)51)43(52)40-32(28-12-9-27(45)21-36(28)48)16-24(5)17-33(40)41-37(49)18-26(19-38(41)50)39-20-25-8-14-35(47)30(44(25)53-39)11-7-23(3)4/h6-9,12-15,17-21,32-33,40,45-51H,10-11,16H2,1-5H3
HMDB35943	Cyclopassifloic acid A	CC(C)C(O)(CO)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O	InChI=1S/C31H52O7/c1-17(2)30(38,16-32)14-20(33)18(3)19-9-10-27(5)21-7-8-22-28(6,25(36)37)23(34)13-24(35)31(22)15-29(21,31)12-11-26(19,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)
HMDB35942	Phyllanthusol A	CC1COC2(CC1OC(=O)C1=CC=C(O)C=C1)OC1CC(CC(O)C1(O)C2O)C(=O)OC1CC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1NC(C)=O	InChI=1S/C35H49NO19/c1-13-12-50-34(10-20(13)52-30(46)15-3-5-17(39)6-4-15)33(48)35(49)22(41)7-16(8-23(35)55-34)31(47)51-19-9-18(40)25(42)28(45)29(19)54-32-24(36-14(2)38)27(44)26(43)21(11-37)53-32/h3-6,13,16,18-29,32-33,37,39-45,48-49H,7-12H2,1-2H3,(H,36,38)
HMDB02441	3,3-Dimethylglutaric acid	CC(C)(CC(O)=O)CC(O)=O	InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
HMDB48484	TG(16:1(9Z)/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-
HMDB48485	TG(16:1(9Z)/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-
HMDB48487	TG(16:1(9Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,33,36,52H,4-15,17-18,20,22-23,26,28-32,34-35,37-51H2,1-3H3/b19-16-,24-21-,27-25-,36-33-
HMDB48488	TG(16:1(9Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-25,53H,4-12,14-15,17-20,23,26-52H2,1-3H3/b16-13-,24-21-,25-22-
HMDB48489	TG(16:1(9Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,54H,4-15,17-18,20,22-23,26,28-29,31,33-53H2,1-3H3/b19-16-,24-21-,27-25-,32-30-
HMDB41762	Peonidin 3-(2-(6-(E)-caffeoyl-beta-D-glucosyl)-beta-D-glucoside) 5-beta-D-glucoside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C4=C([H])C([H])=C(O[H])C(O[H])=C4[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(36(56)32(52)28(14-45)65-43)67-42-38(58)35(55)33(53)29(66-42)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1
HMDB41763	Peonidin 3-diglucoside 5-glucoside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)38)31-18(7-13-15(50-31)5-12(37)6-16(13)51-33-29(46)26(43)23(40)20(9-36)54-33)52-34-30(47)27(44)24(41)21(55-34)10-49-32-28(45)25(42)22(39)19(8-35)53-32/h2-7,19-30,32-36,39-47H,8-10H2,1H3,(H-,37,38)/p+1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,30-,32-,33-,34-/m1/s1
HMDB41760	Naringenin 5-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(O[H])=C([H])C3=C2C(=O)C([H])([H])C([H])(O3)C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)12-7-11(24)15-13(30-12)5-10(23)6-14(15)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,12,16-19,21-23,25-27H,7H2,(H,28,29)/t12?,16-,17-,18+,19-,21+/m0/s1
HMDB41761	Naringenin 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C(=O)C([H])([H])C([H])(O3)C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1
HMDB41766	Peonidin 3-sophoroside	[H]OC1=C([H])C2=[O+]C(=C(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)25-17(7-12-14(33)5-11(31)6-15(12)40-25)41-28-26(23(37)21(35)19(9-30)43-28)44-27-24(38)22(36)20(34)18(8-29)42-27/h2-7,18-24,26-30,34-38H,8-9H2,1H3,(H2-,31,32,33)/p+1/t18-,19-,20-,21-,22+,23+,24-,26+,27+,28+/m1/s1
HMDB41767	Peonidin 3-xyloside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C21H20O10/c1-28-15-4-9(2-3-12(15)24)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-13(25)5-10(23)6-14(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18+,19-,21-/m1/s1
HMDB41764	Peonidin 3-sambubioside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m1/s1
HMDB41765	Peonidin 3-sambubioside 5-glucoside	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C33H40O20/c1-46-17-4-11(2-3-14(17)38)29-18(49-33-30(26(43)23(40)20(9-35)52-33)53-32-27(44)24(41)21(10-36)51-32)7-13-15(47-29)5-12(37)6-16(13)48-31-28(45)25(42)22(39)19(8-34)50-31/h2-7,19-28,30-36,39-45H,8-10H2,1H3,(H-,37,38)/p+1/t19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,30-,31-,32+,33-/m1/s1
HMDB41768	Phloretin 2'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(O[H])=C([H])C(O[H])=C2C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H22O11/c22-10-4-1-9(2-5-10)3-6-12(24)15-13(25)7-11(23)8-14(15)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-2,4-5,7-8,16-19,21-23,25-28H,3,6H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
HMDB41769	Quercetin 3'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(=C([H])C([H])=C2O[H])C2=C(O[H])C(=O)C3=C(O[H])C([H])=C(O[H])C([H])=C3O2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1
HMDB09494	PE(22:0/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,45H,3-17,19,21-44,48H2,1-2H3,(H,51,52)/b20-18-/t45-/m1/s1
HMDB09495	PE(22:0/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45H,3-11,13,15-17,19,21-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-/t45-/m1/s1
HMDB07432	DG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,41,44H,3-5,7,9-10,15-16,21-23,25,27-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t41-/m0/s1
HMDB09497	PE(22:0/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,45H,3-11,13,15-17,19,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,28-26-/t45-/m1/s1
HMDB09490	PE(22:0/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,28,30,43H,3-11,13,15-17,19-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-,30-28-/t43-/m1/s1
HMDB09491	PE(22:0/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1
HMDB09492	PE(22:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,28,30,43H,3-5,7,9-11,13,15-17,19-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-,30-28-/t43-/m1/s1
HMDB09493	PE(22:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)/t45-/m1/s1
HMDB07438	DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,34,36,43,46H,3-10,15-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m0/s1
HMDB07439	DG(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,28,30,43,46H,3-4,6,8-10,15-16,21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t43-/m0/s1
HMDB09498	PE(22:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,32,34,45H,3-11,13,15-17,19,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,28-26-,34-32-/t45-/m1/s1
HMDB09499	PE(22:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,26,28,45H,3-5,7,9-11,13,15-17,19,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,28-26-/t45-/m1/s1
HMDB49579	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-8,10-11,13-17,19,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB49578	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,31,38,41,56H,4-8,10-11,13-17,19,22,24,26,29-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,41-38-
HMDB33464	Sinapoylputrescine	COC1=CC(\C=C/C(=O)NCCCCN)=CC(OC)=C1O	InChI=1S/C15H22N2O4/c1-20-12-9-11(10-13(21-2)15(12)19)5-6-14(18)17-8-4-3-7-16/h5-6,9-10,19H,3-4,7-8,16H2,1-2H3,(H,17,18)/b6-5-
HMDB33465	Feruloyl-2-hydroxyputrescine	COC1=CC(\C=C\C(=O)NCC(O)CCN)=CC=C1O	InChI=1S/C14H20N2O4/c1-20-13-8-10(2-4-12(13)18)3-5-14(19)16-9-11(17)6-7-15/h2-5,8,11,17-18H,6-7,9,15H2,1H3,(H,16,19)/b5-3+
HMDB33466	Di-4-coumaroylputrescine	OC1=CC=C(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC=C(O)C=C2)C=C1	InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+
HMDB33467	Dicaffeoylputrescine	OC1=CC=C(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1O	InChI=1S/C22H24N2O6/c25-17-7-3-15(13-19(17)27)5-9-21(29)23-11-1-2-12-24-22(30)10-6-16-4-8-18(26)20(28)14-16/h3-10,13-14,25-28H,1-2,11-12H2,(H,23,29)(H,24,30)/b9-5+,10-6+
HMDB33460	4-Hydroxycinnamoylagmatine	NC(=N)NCCCCNC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+
HMDB33461	4-Coumaroylputrescine	NCCCCNC(=O)\C=C/C1=CC=C(O)C=C1	InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5-
HMDB33462	4-Coumaroyl-2-hydroxyputrescine	NCCC(O)CNC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C13H18N2O3/c14-8-7-12(17)9-15-13(18)6-3-10-1-4-11(16)5-2-10/h1-6,12,16-17H,7-9,14H2,(H,15,18)/b6-3+
HMDB33463	Subaphylline	COC1=C(O)C=CC(\C=C/C(=O)NCCCCN)=C1	InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5-
HMDB33468	Diferuloylputrescine	COC1=CC(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+
HMDB33469	N1,N10-Dicoumaroylspermidine	OC1=CC=C(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C/C2=CC=C(O)C=C2)C=C1	InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/b14-8+,15-9-
HMDB50531	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-30,40,43,49,52,64H,4-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b28-25-,29-26-,30-27-,43-40-,52-49-
HMDB50530	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-30,38,41,47,50,62H,4-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,50-47-
HMDB50533	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,34,37-38,41,43,46,58H,4-17,19-20,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB50532	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,33,35,38,44,47,59H,4-20,22-23,27,31-32,34,36-37,39-43,45-46,48-58H2,1-3H3/b24-21-,28-25-,29-26-,33-30-,38-35-,47-44-
HMDB49689	TG(18:1(11Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,21-22,24-25,56H,4-12,14-15,17-20,23,26-55H2,1-3H3/b16-13-,24-21-,25-22-
HMDB49688	TG(18:1(11Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,20-21,24,26,29,35,38,55H,4-16,18-19,22-23,25,27-28,30-34,36-37,39-54H2,1-3H3/b20-17-,24-21-,29-26-,38-35-
HMDB50537	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,38,41,47,50,62H,4-15,17-18,20-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB50536	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,36-37,39,43,45-46,48,60H,4-15,17-18,20-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB49685	TG(18:1(11Z)/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h21,24-25,28,59H,4-20,22-23,26-27,29-58H2,1-3H3/b24-21-,28-25-
HMDB49684	TG(18:1(11Z)/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,32,35,41,44,57H,4-20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b24-21-,28-25-,35-32-,44-41-
HMDB49687	TG(18:1(11Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,21-22,24,28,31,56H,4-18,20,23,25-27,29-30,32-55H2,1-3H3/b22-19-,24-21-,31-28-
HMDB49686	TG(18:1(11Z)/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h21,24-25,28,61H,4-20,22-23,26-27,29-60H2,1-3H3/b24-21-,28-25-
HMDB49681	TG(18:1(11Z)/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h20-21,23-24,55H,4-19,22,25-54H2,1-3H3/b23-20-,24-21-
HMDB49680	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,37,40,46,49,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,40-37-,49-46-
HMDB49683	TG(18:1(11Z)/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,57H,4-20,22-23,26-27,29-56H2,1-3H3/b24-21-,28-25-
HMDB49682	TG(18:1(11Z)/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h20,23,27,30,55H,4-19,21-22,24-26,28-29,31-54H2,1-3H3/b23-20-,30-27-
HMDB57557	CL(16:1(9Z)/18:1(11Z)/16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,36,71-73,78H,5-24,26,30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB03797	Bovinic acid	CCCCCC\C=C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
HMDB03791	3,4-Dihydroxyphenylacetaldehyde	OC1=C(O)C=C(CC=O)C=C1	InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
HMDB35621	Ganoderic acid R	CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CCC2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C34H50O6/c1-20(30(37)38)10-12-27(39-22(3)35)21(2)24-14-18-34(9)26-11-13-28-31(5,6)29(40-23(4)36)16-17-32(28,7)25(26)15-19-33(24,34)8/h10-11,15,21,24,27-29H,12-14,16-19H2,1-9H3,(H,37,38)/b20-10+
HMDB57554	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,50,52,58,62,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB33270	Sesamolinol	COC1=CC(OC2OCC3C2COC3C2=CC3=C(OCO3)C=C2)=CC=C1O	InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3
HMDB03429	Cob(I)alamin	CC1CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)C3=[N]4C2=C(C)C2=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co]457[N]3=CN(C4O[C@@H](CO)C(OP(O)(=O)O1)C4O)C1=C3C=C(C)C(C)=C1)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O	InChI=1S/C62H88N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/b42-23-,54-32-,55-33-;/t31?,34-,35-,36-,37+,41+,52?,53?,57?,59-,60+,61+,62+;/m1./s1
HMDB33272	Dihydroclusin	COC1=CC(CC(CO)C(CO)CC2=CC=C3OCOC3=C2)=CC(OC)=C1OC	InChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3
HMDB57555	CL(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB03423	D-Glutamine	N[C@H](CCC(N)=O)C(O)=O	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
HMDB03422	Boldione	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
HMDB03426	Pantetheine	CC(C)(CO)C(O)C(=O)NCCC(=O)NCCS	InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)
HMDB03424	1-Hexadecanol	CCCCCCCCCCCCCCCCO	InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
HMDB32737	2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane	CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1	InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
HMDB32736	Dulxanthone D	COC1=C(CC=C(C)C)C2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C=C1O	InChI=1S/C19H18O6/c1-9(2)4-5-11-16-15(8-13(22)19(11)24-3)25-14-7-10(20)6-12(21)17(14)18(16)23/h4,6-8,20-22H,5H2,1-3H3
HMDB32735	Isopersin	CCCCC\C=C/C\C=C/CCCCCCCC(=O)CC(CO)OC(C)=O	InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)19-23(20-24)27-21(2)25/h7-8,10-11,23-24H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-
HMDB32734	9-Hydroxy-3',4'-dimethoxy-3,4-methylenedioxy-9,9'-epoxylignan	COC1=CC=C(CC2COC(O)C2CC2=CC=C3OCOC3=C2)C=C1OC	InChI=1S/C21H24O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3
HMDB32733	3,4-Dimethoxy-3,4-desmethylenecubebin	COC1=CC=C(CC2C(CC3=CC=C4OCOC4=C3)COC2O)C=C1OC	InChI=1S/C21H24O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3
HMDB32732	cis-Solamin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3
HMDB32731	8,10,15-Trihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide; (1E,4Z,6a,8b,10a)-form, 8-Angeloyl	C\C=C(/C)C(=O)OC1CC(C)(O)\C=C/C(=O)/C(CO)=C\C2OC(=O)C(=C)C12	InChI=1S/C20H24O7/c1-5-11(2)18(23)27-16-9-20(4,25)7-6-14(22)13(10-21)8-15-17(16)12(3)19(24)26-15/h5-8,15-17,21,25H,3,9-10H2,1-2,4H3/b7-6-,11-5+,13-8-
HMDB32730	Divanillyltetrahydrofuran ferulate	COC1=CC(CC2COCC2CC2=CC(OC)=C(OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C=C2)=CC=C1O	InChI=1S/C30H32O8/c1-34-27-14-19(4-8-24(27)31)7-11-30(33)38-26-10-6-21(16-29(26)36-3)13-23-18-37-17-22(23)12-20-5-9-25(32)28(15-20)35-2/h4-11,14-16,22-23,31-32H,12-13,17-18H2,1-3H3/b11-7+
HMDB01494	Acetylphosphate	CC(=O)OP(O)(O)=O	InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
HMDB01495	Queuine	O[C@@H]1C=C[C@@H](NCC2=CNC3=C2C(=O)NC(=N)N3)[C@@H]1O	InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m1/s1
HMDB01496	7a-Hydroxycholesterol	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22-,23+,24-,25?,26+,27-/m1/s1
HMDB01497	Nicotine-1'-N-oxide	C[N+]1([O-])CCCC1C1=CN=CC=C1	InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
HMDB01490	Vanylglycol	COC1=CC(=CC=C1O)C(O)CO	InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3
HMDB01491	Pyridoxal 5'-phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O	InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
HMDB32739	S-Methyl methanesulfinothioate	CSS(C)=O	InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3
HMDB01493	3-Methylcrotonyl-CoA	CC(C)=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1
HMDB57080	CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57081	CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57082	CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,37-38,44,46,54,58,75-77,82H,5-20,22-24,26,29-30,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB57083	CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57084	CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57085	CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1
HMDB57086	CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,46,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,46-44-/t75?,76-,77-/m1/s1
HMDB57087	CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57088	CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB57089	CL(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB45843	TG(20:0/24:1(15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,68H,4-25,27-28,30-67H2,1-3H3/b29-26-
HMDB45842	TG(20:0/24:1(15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-
HMDB45841	TG(20:0/24:1(15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-
HMDB45840	TG(20:0/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-
HMDB45847	TG(20:0/24:1(15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-
HMDB45846	TG(20:0/24:1(15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,62H,4-20,22-23,26-27,29-61H2,1-3H3/b24-21-,28-25-
HMDB45845	TG(20:0/24:1(15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,60H,4-20,22-23,26,28-59H2,1-3H3/b24-21-,27-25-
HMDB45844	TG(20:0/24:1(15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-
HMDB45849	TG(20:0/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,38,41,47,50,64H,4-24,27,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,41-38-,50-47-
HMDB45848	TG(20:0/24:1(15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-
HMDB58534	CL(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-42,77-79,84H,5-24,27-28,31-34,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB46657	TG(22:0/18:3(6Z,9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,46,49,64H,4-17,19-20,22-26,28-37,39-45,47-48,50-63H2,1-3H3/b21-18-,38-27-,49-46-
HMDB46656	TG(22:0/18:3(6Z,9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,44,47,62H,4-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b21-18-,36-27-,47-44-
HMDB46655	TG(22:0/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h20,23,29,34,60H,4-19,21-22,24-28,30-33,35-59H2,1-3H3/b23-20-,34-29-
HMDB41686	5'-Methoxy-O-desmethylangolensin	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])(C(=O)C1=C(O[H])C([H])=C(O[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H]	InChI=1S/C16H16O5/c1-9(10-3-5-11(17)6-4-10)16(20)12-7-15(21-2)14(19)8-13(12)18/h3-9,17-19H,1-2H3
HMDB31031	2-Dodecylbenzenesulfonic acid	CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O	InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)
HMDB46653	TG(22:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,33,35,37,40,43,63H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31-32,34,36,38-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-33-,37-30-,43-40-
HMDB41680	4-Hydroxy-3,5,4'-trimethoxystilbene	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])=C1OC([H])([H])[H]	InChI=1S/C17H18O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h4-11,18H,1-3H3/b5-4+
HMDB41465	Melilotoside B	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C41H68O12/c1-36(2)16-22-21-8-9-26-38(4)12-11-28(39(5,20-43)25(38)10-13-41(26,7)40(21,6)15-14-37(22,3)27(45)17-36)52-35-33(29(46)23(44)19-50-35)53-34-32(49)31(48)30(47)24(18-42)51-34/h8,22-35,42-49H,9-20H2,1-7H3
HMDB46651	TG(22:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35-36,38,61H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,37,39-60H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-30-,38-36-
HMDB41464	Melilotoside A	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C35H58O7/c1-30(2)16-21-20-8-9-24-32(4)12-11-26(42-29-28(40)27(39)22(37)18-41-29)33(5,19-36)23(32)10-13-35(24,7)34(20,6)15-14-31(21,3)25(38)17-30/h8,21-29,36-40H,9-19H2,1-7H3
HMDB53180	TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,55H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-54H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-
HMDB46650	TG(22:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,33-34,39,42,59H,4-8,10-11,13-17,19,22,24-26,28,30-32,35-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,23-20-,33-27-,34-29-,42-39-
HMDB41467	Melilotoside D	CC1OC(OC2C(OC3C(O)C(O)COC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(O)C6(C)CCC54C)C3(C)CO)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C52H86O20/c1-23-33(58)37(62)39(64)44(67-23)72-42-40(70-43-38(63)34(59)26(55)20-65-43)36(61)28(19-53)68-46(42)71-41-35(60)27(56)21-66-45(41)69-32-12-13-49(5)29(50(32,6)22-54)11-14-52(8)30(49)10-9-24-25-17-47(2,3)18-31(57)48(25,4)15-16-51(24,52)7/h9,23,25-46,53-64H,10-22H2,1-8H3
HMDB41466	Melilotoside C	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)C(O)C1O	InChI=1S/C47H78O16/c1-22-31(52)34(55)36(57)39(59-22)62-38-35(56)33(54)26(19-48)60-41(38)63-37-32(53)25(50)20-58-40(37)61-30-12-13-44(5)27(45(30,6)21-49)11-14-47(8)28(44)10-9-23-24-17-42(2,3)18-29(51)43(24,4)15-16-46(23,47)7/h9,22,24-41,48-57H,10-21H2,1-8H3
HMDB41461	Anthriscinol	COC1=CC(=CC2=C1OCO2)C(O)C=C	InChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h3-5,8,12H,1,6H2,2H3
HMDB41460	Deterrol	CC(=C)C1=CC2=C(CO)C=CC2=C(C)C=C1	InChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-8,16H,1,9H2,2-3H3
HMDB38678	1,1-Dihexyloxyethane	CCCCCCOC(C)OCCCCCC	InChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3
HMDB38679	1-Methoxy-1-pentyloxyethane	CCCCCOC(C)OC	InChI=1S/C8H18O2/c1-4-5-6-7-10-8(2)9-3/h8H,4-7H2,1-3H3
HMDB41463	2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one	COC1=CC=C(C=C1)C1=C2C(O)C(O)C(=O)C3=CC=CC(C=C1)=C23	InChI=1S/C20H16O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,19-20,22-23H,1H3
HMDB38670	S-Methylmethionine	C[S+](C)CCC(N)C(O)=O	InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1
HMDB38671	Vitamin U	[Cl-].C[S+](C)CCC(N)C(O)=O	InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H
HMDB38672	Lyciumin A	CC(C)C1NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC(=O)C(CO)NC(=O)CNC1=O)C(O)=O)C1=C2C=CC=C1	InChI=1S/C42H51N9O12/c1-21(2)34-39(59)43-18-33(55)45-29(20-52)37(57)47-28(42(62)63)17-23-19-51(30-7-4-3-6-25(23)30)35(40(60)48-34)49-36(56)27(16-22-9-11-24(53)12-10-22)46-38(58)31-8-5-15-50(31)41(61)26-13-14-32(54)44-26/h3-4,6-7,9-12,19,21,26-29,31,34-35,52-53H,5,8,13-18,20H2,1-2H3,(H,43,59)(H,44,54)(H,45,55)(H,46,58)(H,47,57)(H,48,60)(H,49,56)(H,62,63)
HMDB38673	Lyciumin B	CC(C)C1NC(=O)C(NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC(=O)C(CO)NC(=O)CNC1=O)C(O)=O)C1=C2C=CC=C1	InChI=1S/C44H52N10O11/c1-22(2)36-41(61)46-19-35(57)48-31(21-55)39(59)50-30(44(64)65)17-24-20-54(32-11-6-4-9-26(24)32)37(42(62)51-36)52-38(58)29(16-23-18-45-27-10-5-3-8-25(23)27)49-40(60)33-12-7-15-53(33)43(63)28-13-14-34(56)47-28/h3-6,8-11,18,20,22,28-31,33,36-37,45,55H,7,12-17,19,21H2,1-2H3,(H,46,61)(H,47,56)(H,48,57)(H,49,60)(H,50,59)(H,51,62)(H,52,58)(H,64,65)
HMDB38674	gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine	CSCCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C15H25N3O8S/c1-27-7-6-10(15(25)26)18-12(20)5-3-9(14(23)24)17-11(19)4-2-8(16)13(21)22/h8-10H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)(H,25,26)
HMDB38675	Cyclolinopeptide A	CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O)C(C)C	InChI=1S/C57H85N9O9/c1-11-37(10)48-55(73)61-40(28-33(2)3)49(67)62-44(30-35(6)7)56(74)66-27-19-25-46(66)57(75)65-26-18-24-45(65)53(71)60-43(32-39-22-16-13-17-23-39)51(69)59-42(31-38-20-14-12-15-21-38)50(68)58-41(29-34(4)5)52(70)63-47(36(8)9)54(72)64-48/h12-17,20-23,33-37,40-48H,11,18-19,24-32H2,1-10H3,(H,58,68)(H,59,69)(H,60,71)(H,61,73)(H,62,67)(H,63,70)(H,64,72)/t37-,40+,41-,42+,43-,44-,45-,46?,47-,48-/m0/s1
HMDB38676	(2S,2'S)-Pyrosaccharopine	NC(CCCCN1C(CCC1=O)C(O)=O)C(O)=O	InChI=1S/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)
HMDB38677	Alfafuran	OC1=CC(=CC(O)=C1)C1=CC2=CC(O)=C(O)C=C2O1	InChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H
HMDB30469	Methyl tetradecanoate	CCCCCCCCCCCCCC(=O)OC	InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
HMDB30468	Natamycin	CC1OC(OC2CC3OC(O)(CC(O)C3C(O)=O)CC(O)CC3OC3\C=C\C(=O)OC(C)C\C=C/C=C/C=C\C=C\2)C(O)C(N)C1O	InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5-,8-6-,11-9+,13-12+
HMDB30465	Mocimycin	CCC(C(=O)NC\C=C/C=C(\C)C(OC)C(C)C1OC(\C=C/C=C/C=C(/C)C(=O)C2=C(O)C=CNC2=O)C(O)C1O)C1(O)OC(\C=C\C=C/C)C(C)(C)C(O)C1O	InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16-,20-15-,21-13+,25-18-,26-19+
HMDB30464	Erythroskyrin	CC(C)C1N(C)C(=O)C(C(=O)\C=C\C=C\C=C\C=C/C=C/C2OC3CC(C)OC3C2O)=C1O	InChI=1S/C26H33NO6/c1-16(2)22-24(30)21(26(31)27(22)4)18(28)13-11-9-7-5-6-8-10-12-14-19-23(29)25-20(33-19)15-17(3)32-25/h5-14,16-17,19-20,22-23,25,29-30H,15H2,1-4H3/b6-5+,9-7+,10-8-,13-11+,14-12+
HMDB30467	Artocarpetin A	COC1=CC(O)=C2C(=O)C=C(OC2=C1CC=C(C)C)C1=CC=C(O)C=C1O	InChI=1S/C21H20O6/c1-11(2)4-6-14-18(26-3)9-16(24)20-17(25)10-19(27-21(14)20)13-7-5-12(22)8-15(13)23/h4-5,7-10,22-24H,6H2,1-3H3
HMDB30466	Goldinodox	CCC(C(=O)NC\C=C/C=C(\C)C(OC)C(C)C1OC(\C=C/C=C/C=C(/C)C(=O)C2=C(O)C=CN(C)C2=O)C(O)C1O)C1(O)OC(\C=C\C=C/C)C(C)(C)C(O)C1O	InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17-,21-16-,22-14+,26-19-,27-20+
HMDB30461	Hordatine A	NC(=N)NCCCCNC(=O)\C=C/C1=CC(O)=C2OC(C(C(=O)NCCCCNC(N)=N)C2=C1)C1=CC=C(O)C=C1	InChI=1S/C28H38N8O5/c29-27(30)35-13-3-1-11-33-22(39)10-5-17-15-20-23(26(40)34-12-2-4-14-36-28(31)32)24(41-25(20)21(38)16-17)18-6-8-19(37)9-7-18/h5-10,15-16,23-24,37-38H,1-4,11-14H2,(H,33,39)(H,34,40)(H4,29,30,35)(H4,31,32,36)/b10-5-
HMDB30460	Hordatine B glucoside	COC1=C2OC(C(C(=O)NCCCCNC(N)=N)C2=CC(\C=C/C(=O)NCCCCNC(N)=N)=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C35H50N8O10/c1-50-23-17-19(6-11-25(45)40-12-2-4-14-42-34(36)37)16-22-26(32(49)41-13-3-5-15-43-35(38)39)30(53-31(22)23)20-7-9-21(10-8-20)51-33-29(48)28(47)27(46)24(18-44)52-33/h6-11,16-17,24,26-30,33,44,46-48H,2-5,12-15,18H2,1H3,(H,40,45)(H,41,49)(H4,36,37,42)(H4,38,39,43)/b11-6-
HMDB30463	Hyperforin	CC(C)C(=O)C12C(=O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O	InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3
HMDB30462	Hordatine A glucoside	NC(=N)NCCCCNC(=O)\C=C/C1=CC(O)=C2OC(C(C(=O)NCCCCNC(N)=N)C2=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C34H48N8O10/c35-33(36)41-13-3-1-11-39-24(45)10-5-18-15-21-25(31(49)40-12-2-4-14-42-34(37)38)29(52-30(21)22(44)16-18)19-6-8-20(9-7-19)50-32-28(48)27(47)26(46)23(17-43)51-32/h5-10,15-16,23,25-29,32,43-44,46-48H,1-4,11-14,17H2,(H,39,45)(H,40,49)(H4,35,36,41)(H4,37,38,42)/b10-5-
HMDB50161	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,54H,4-8,10-11,13-17,19-20,22-24,31-53H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-
HMDB36708	Dulcoside A	CC1OC(OC2C(O)C(O)C(CO)OC2OC23CC4(CC2=C)CCC2C(C)(CCCC2(C)C(=O)OC2OC(CO)C(O)C(O)C2O)C4CC3)C(O)C(O)C1O	InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3
HMDB36709	Yucalexin B14	CC12CC3(CCC4C(C)(C)C(O)CCC4(C)C3CC1=O)C=C2	InChI=1S/C20H30O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-15,21H,5-8,11-12H2,1-4H3
HMDB36706	Steviol	CC12CCCC(C)(C1CCC13CC(=C)C(O)(C1)CCC23)C(O)=O	InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)
HMDB36707	Steviobioside	CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)=O	InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)
HMDB36704	Epoxysiderol	CC(=O)OC1CC2C(C)(CO)CCCC2(C)C2CCC3CC12C1OC31C	InChI=1S/C22H34O4/c1-13(24)25-17-10-16-19(2,12-23)8-5-9-20(16,3)15-7-6-14-11-22(15,17)18-21(14,4)26-18/h14-18,23H,5-12H2,1-4H3
HMDB36705	Ucriol	CC12OC1C13CC2CCC1C1(C)CCCC(C)(CO)C1CC3O	InChI=1S/C20H32O3/c1-17(11-21)7-4-8-18(2)13-6-5-12-10-20(13,15(22)9-14(17)18)16-19(12,3)23-16/h12-16,21-22H,4-11H2,1-3H3
HMDB36702	Sideridiol	CC1=CC23CC1CCC2C1(C)CCCC(C)(CO)C1CC3O	InChI=1S/C20H32O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-17,21-22H,4-9,11-12H2,1-3H3
HMDB36703	Siderone	CC1=CC23CC1CCC2C1(C)CCCC(C)(CO)C1CC3=O	InChI=1S/C20H30O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-16,21H,4-9,11-12H2,1-3H3
HMDB36700	ent-7alpha,12beta-Dihydroxy-16-kauren-19,6beta-olide	CC12CCCC3(C)C1C(OC2=O)C(O)C12CC(C(O)CC31)C(=C)C2	InChI=1S/C20H28O4/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3)15(18)14(16(20)22)24-17(19)23/h11-16,21-22H,1,4-9H2,2-3H3
HMDB36701	(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid	CC12CCCC(C)(C1C(O)C(O)C13CC(C(O)CC21)C(=C)C3)C(O)=O	InChI=1S/C20H30O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(22)16(20)23/h11-16,21-23H,1,4-9H2,2-3H3,(H,24,25)
HMDB49755	TG(18:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,32,35,52H,4-6,8-9,11-15,17-18,20-24,29-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,35-32-
HMDB35178	6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone	CC(=O)C1=CC(=O)CC(CO)N1	InChI=1S/C8H11NO3/c1-5(11)8-3-7(12)2-6(4-10)9-8/h3,6,9-10H,2,4H2,1H3
HMDB35179	Mumefural	OC(=O)CC(O)(CC(=O)OCC1=CC=C(O1)C=O)C(O)=O	InChI=1S/C12H12O9/c13-5-7-1-2-8(21-7)6-20-10(16)4-12(19,11(17)18)3-9(14)15/h1-2,5,19H,3-4,6H2,(H,14,15)(H,17,18)
HMDB35174	[3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1H-pyrrole-1-acetic acid, 9CI	CC(N1\C(=C\C2=CC=CO2)C(=O)C(\C(C=O)=C/C2=CC=CO2)=C1C1=CC=CO1)C(O)=O	InChI=1S/C23H17NO7/c1-14(23(27)28)24-18(12-17-6-3-9-30-17)22(26)20(21(24)19-7-4-10-31-19)15(13-25)11-16-5-2-8-29-16/h2-14H,1H3,(H,27,28)/b15-11-,18-12+
HMDB35175	2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine	CN1C(N)=NC2=C1C=C1OC(C)=CC1=N2	InChI=1S/C10H10N4O/c1-5-3-6-8(15-5)4-7-9(12-6)13-10(11)14(7)2/h3-4H,1-2H3,(H2,11,12,13)
HMDB35176	3-Mercapto-2-methylpentanal	CCC(S)C(C)C=O	InChI=1S/C6H12OS/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3
HMDB35177	2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one	CC(=O)C1=CC(=O)CC(O)C(CO)N1	InChI=1S/C9H13NO4/c1-5(12)7-2-6(13)3-9(14)8(4-11)10-7/h2,8-11,14H,3-4H2,1H3
HMDB35170	1',2'-Dihydro-1,1'-dimethyl-2'-oxo-4,4'-bipyridinium(1+)	CN1C=CC(=CC1=O)C1=CC=[N+](C)C=C1	InChI=1S/C12H13N2O/c1-13-6-3-10(4-7-13)11-5-8-14(2)12(15)9-11/h3-9H,1-2H3/q+1
HMDB35171	2-Mercapto-3-pentanone	CCC(=O)C(C)S	InChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3
HMDB35172	2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde	CC1=C(C=O)C(C)(C)C=CC1	InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4,6-7H,5H2,1-3H3
HMDB35173	2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium	OC(=O)C1CCCN1\C=C\C=C(/O)\C=[N+]1/CCCC1C([O-])=O	InChI=1S/C15H20N2O5/c18-11(10-17-9-3-6-13(17)15(21)22)4-1-7-16-8-2-5-12(16)14(19)20/h1,4,7,10,12-13H,2-3,5-6,8-9H2,(H2-,18,19,20,21,22)
HMDB56029	DG(16:0/0:0/22:5n6)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,39,42H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b13-11-,18-17-,21-20-,26-24-,32-30-
HMDB56028	DG(16:0/0:0/22:4n6)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,39,42H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3/b13-11-,18-17-,21-20-,26-24-
HMDB54899	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,52,54-55,57,66H,4-6,8,11,13-15,22-24,31-33,40-42,49-51,53,56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,57-54-
HMDB56021	DG(16:0/0:0/24:1n9)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41,44H,3-16,19-40H2,1-2H3/b18-17-
HMDB56020	DG(16:0/0:0/22:1n9)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,39,42H,3-16,19-38H2,1-2H3/b18-17-
HMDB56023	DG(16:0/0:0/18:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,35,38H,3-10,12,14-16,19-21,23,25-34H2,1-2H3/b13-11-,18-17-,24-22-
HMDB56022	DG(16:0/0:0/18:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,18-19,36,39H,3-12,14,16-17,20-35H2,1-2H3/b15-13-,19-18-
HMDB56025	DG(16:0/0:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,37,40H,3-10,12,14-16,19,21,23-36H2,1-2H3/b13-11-,18-17-,22-20-
HMDB56024	DG(16:0/0:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h9,11,15,17,36,39H,3-8,10,12-14,16,18-35H2,1-2H3/b11-9-,17-15-
HMDB56027	DG(16:0/0:0/22:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42H,3-10,12,14-16,19-38H2,1-2H3/b13-11-,18-17-
HMDB56026	DG(16:0/0:0/20:4n6)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,37,40H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3/b13-11-,18-17-,22-20-,28-26-
HMDB58023	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB13852	Sulfamethoxazole N4-hydroxylamine	CC1=CC(NS(=O)(=O)C2=CC=C(NO)C=C2)=NO1	InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)
HMDB13851	N-Acetyldapsone	CC(O)=NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1	InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)
HMDB58020	CL(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-37,39-40,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,38,41-42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB58027	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB13856	4-Hydroxycyclophosphamide	OC1CCOP(=O)(N1)N(CCCl)CCCl	InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)
HMDB13855	Sulfamethoxazole N1-glucuronide	CC1=CC(=NO1)N(C1OC(C(O)C(O)C1O)C(O)=O)S(=O)(=O)C1=CC=C(N)C=C1	InChI=1S/C16H19N3O9S/c1-7-6-10(18-28-7)19(29(25,26)9-4-2-8(17)3-5-9)15-13(22)11(20)12(21)14(27-15)16(23)24/h2-6,11-15,20-22H,17H2,1H3,(H,23,24)
HMDB13854	N4-Acetylsulfamethoxazole	CC(O)=NC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(C)=C1	InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
HMDB13859	2-Dechloroethylifosfamide	NP1(=O)OCCCN1CCCl	InChI=1S/C5H12ClN2O2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2,(H2,7,9)
HMDB13858	3-Dechloroethylifosfamide	ClCCNP1(=O)NCCCO1	InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)
HMDB36021	Rhubafuran	CC1CC(C)(CO1)C1=CC=CC=C1	InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
HMDB09869	PI(20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,41,44-49,52-56H,3-11,13,15-17,19,21-23,25,27-29,31,33-40H2,1-2H3,(H,57,58)/b14-12-,20-18-,26-24-,32-30-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09868	PI(20:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,41,44-49,52-56H,3-5,7,9-11,13,15-17,19,21-23,25,27-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,20-18-,26-24-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09865	PI(18:3(9Z,12Z,15Z)/22:3(10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,41,44-49,52-56H,3-5,7,9-10,15-16,20,24-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09864	PI(18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,37,40-45,48-52H,3-4,6,8-10,12,14-16,21-36H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09867	PI(20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,39,42-47,50-54H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,55,56)/b14-12-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09866	PI(20:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09861	PI(18:3(6Z,9Z,12Z)/22:3(10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,41,44-49,52-56H,3-10,15-16,20,24-26,28,30-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-,29-27-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09860	PI(18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,37,40-45,48-52H,3-10,12,14-16,21-22,24,26-36H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-,25-23-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09863	PI(18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,37,40-45,48-52H,3-4,6,8-10,12,15,18,20-36H2,1-2H3,(H,53,54)/b7-5-,13-11-,16-14-,19-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09862	PI(18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,37,40-45,48-52H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB30289	Currayanine	CC(=C)C1CCC2(C)CC1C1=C(O2)C(C)=CC2=C1NC1=C2C=CC=C1	InChI=1S/C23H25NO/c1-13(2)15-9-10-23(4)12-18(15)20-21-17(11-14(3)22(20)25-23)16-7-5-6-8-19(16)24-21/h5-8,11,15,18,24H,1,9-10,12H2,2-4H3
HMDB30288	Muricinine	COC1=CC2=C3C(CC4=C(C(O)=C(OC)C=C4)C3=C1O)NCC2	InChI=1S/C18H19NO4/c1-22-12-4-3-9-7-11-14-10(5-6-19-11)8-13(23-2)18(21)16(14)15(9)17(12)20/h3-4,8,11,19-21H,5-7H2,1-2H3
HMDB30281	Calycanthidine	CN1CCC2(C1NC1=C2C=CC=C1)C12CCN(C)C1N(C)C1=C2C=CC=C1	InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3
HMDB30280	(-)-Chimonanthine	CN1CCC2(C1NC1=C2C=CC=C1)C12CCN(C)C1NC1=C2C=CC=C1	InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3
HMDB30283	Hydrocinchonine	CCC1CN2CCC1CC2C(O)C1=CC=NC2=C1C=CC=C2	InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3
HMDB30282	Cinchonidine	OC(C1CC2CCN1CC2C=C)C1=CC=NC2=C1C=CC=C2	InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2
HMDB30285	(S)-2-Propylpiperidine	CCCC1CCCCN1	InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3
HMDB30284	6-Propyltridecane	CCCCCCCC(CCC)CCCCC	InChI=1S/C16H34/c1-4-7-9-10-12-15-16(13-6-3)14-11-8-5-2/h16H,4-15H2,1-3H3
HMDB30287	10-Acetoxytoxol	CC(=O)OCC(=C)C1OC2=C(C=C(C=C2)C(C)=O)C1O	InChI=1S/C15H16O5/c1-8(7-19-10(3)17)15-14(18)12-6-11(9(2)16)4-5-13(12)20-15/h4-6,14-15,18H,1,7H2,2-3H3
HMDB30286	Coreximine	COC1=CC2=C(C=C1O)C1CC3=C(CN1CC2)C=C(OC)C(O)=C3	InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3
HMDB58089	CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB48918	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,44,47,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-,47-44-
HMDB48919	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,50H,4-6,8-9,11-15,17-18,22,27-49H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-
HMDB48916	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-
HMDB48917	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,47-48,50-51,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-
HMDB48915	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB48912	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,38,44,47,56H,4-7,9-10,12-15,18,22-23,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,47-44-
HMDB48913	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,37-38,40,44,47,56H,4-7,9-10,12-15,18,22-23,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-
HMDB37158	3-[(2-Methyl-3-furanyl)thio]-4-heptanone	CCCC(=O)C(CC)SC1=C(C)OC=C1	InChI=1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3
HMDB37159	2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole	CC(C)CC1SC(C)C(C)=N1	InChI=1S/C9H17NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3
HMDB48910	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-
HMDB37150	2-Ethyl-2-heptenal	CCCC\C=C(\CC)C=O	InChI=1S/C9H16O/c1-3-5-6-7-9(4-2)8-10/h7-8H,3-6H2,1-2H3/b9-7-
HMDB37151	2-Isopropyl-5-methylpyrazine	CC(C)C1=CN=C(C)C=N1	InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
HMDB37152	2-Ethylidenehexanal	CCCC\C(=C/C)C=O	InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+
HMDB37153	S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate	CC(C)CC(=O)SC1=C(C)OC(C)=C1	InChI=1S/C11H16O2S/c1-7(2)5-11(12)14-10-6-8(3)13-9(10)4/h6-7H,5H2,1-4H3
HMDB37154	2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone	CC(C)CC(=O)C(SC1=C(C)OC=C1)C(C)C	InChI=1S/C14H22O2S/c1-9(2)8-12(15)14(10(3)4)17-13-6-7-16-11(13)5/h6-7,9-10,14H,8H2,1-5H3
HMDB37155	4,4'-Thiobis-2-butanone	CC(=O)CCSCCC(C)=O	InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-6H2,1-2H3
HMDB37156	4-Methyl-2-(1-methylethyl)thiazole	CC(C)C1=NC(C)=CS1	InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3
HMDB37157	2-Methyl-3-(propyldithio)furan	CCCSSC1=C(C)OC=C1	InChI=1S/C8H12OS2/c1-3-6-10-11-8-4-5-9-7(8)2/h4-5H,3,6H2,1-2H3
HMDB44929	TG(18:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30-31,36,39,58H,4-15,17-18,20,22-23,26-27,29,32-35,37-38,40-57H2,1-3H3/b19-16-,24-21-,28-25-,31-30-,39-36-
HMDB44928	TG(18:0/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,58H,4-15,17-18,20,22-23,26-27,29-57H2,1-3H3/b19-16-,24-21-,28-25-
HMDB44927	TG(18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,40,43,56H,4-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,43-40-
HMDB44926	TG(18:0/18:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,56H,4-15,17-18,20,22-23,26-27,29-31,33,35-55H2,1-3H3/b19-16-,24-21-,28-25-,34-32-
HMDB44925	TG(18:0/18:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-25,55H,4-12,14-15,17-20,23,26-54H2,1-3H3/b16-13-,24-21-,25-22-
HMDB44924	TG(18:0/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,34,37,54H,4-15,17-18,20,22-23,26-27,29-33,35-36,38-53H2,1-3H3/b19-16-,24-21-,28-25-,37-34-
HMDB44923	TG(18:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,21-22,24,28,31,55H,4-18,20,23,25-27,29-30,32-54H2,1-3H3/b22-19-,24-21-,31-28-
HMDB44922	TG(18:0/18:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h21,24-25,28,60H,4-20,22-23,26-27,29-59H2,1-3H3/b24-21-,28-25-
HMDB44921	TG(18:0/18:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h21,24-25,28,58H,4-20,22-23,26-27,29-57H2,1-3H3/b24-21-,28-25-
HMDB41356	Elatoside H	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H66O15/c1-37(2)14-15-42(36(52)53)20(16-37)19-8-9-23-39(5)12-11-25(38(3,4)22(39)10-13-40(23,6)41(19,7)17-24(42)44)55-35-30(49)31(29(48)32(57-35)33(50)51)56-34-28(47)27(46)26(45)21(18-43)54-34/h8,20-32,34-35,43-49H,9-18H2,1-7H3,(H,50,51)(H,52,53)
HMDB14009	Lansoprazole sulfone	CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)(=O)C1=NC2=CC=CC=C2N1	InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
HMDB14008	Hydroxylansoprazole	CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC(O)=CC=C2N1	InChI=1S/C16H14F3N3O3S/c1-9-13(20-5-4-14(9)25-8-16(17,18)19)7-26(24)15-21-11-3-2-10(23)6-12(11)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
HMDB14004	Norhydromorphone	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1([H])CCC2=O	InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1,3,9-10,15,17-18H,2,4-7H2/t9-,10+,15-,16-/m0/s1
HMDB54729	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,31-32,36,39,59H,4-15,17-18,20,22-23,26-27,29-30,33-35,37-38,40-58H2,1-3H3/b19-16-,24-21-,28-25-,32-31-,39-36-
HMDB29654	3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol	C\C(\C=C\C=C(/C)\C=C\C12OC(CC1(C)C)CC2(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O	InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)26-37(39,9)42)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)27-34(45-40)28-38(40,10)43/h11-24,33-34,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
HMDB29655	Erinacine G	CC(C)C(=O)CCC1(C)CCC2(C)C3OC4OCC5(O)C(O)C(=CCC2C1=O)C3C4(O)C5O	InChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3
HMDB29656	Erinacine E	CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(O)C56O)C3(C)CCC2(C)CC1	InChI=1S/C25H36O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-21,26-29H,6-11H2,1-4H3
HMDB29657	2,4'-Dihydroxyacetophenone	OCC(=O)C1=CC=C(O)C=C1	InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2
HMDB29650	2,4,6-Trihydroxybenzoic acid, 9CI, 8CI; Me ester	COC(=O)C1=C(O)C=C(O)C=C1O	InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3
HMDB29651	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone, 9CI; 2-O-b-Glucopyranoside	CC(C)C(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C=C1O	InChI=1S/C16H22O9/c1-6(2)12(20)11-8(19)3-7(18)4-9(11)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3
HMDB29652	2-(4-Methylphenyl)-2-propanol	CC1=CC=C(C=C1)C(C)(C)O	InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
HMDB29653	1-(1-Methoxy-1-methylethyl)-4-methylbenzene	COC(C)(C)C1=CC=C(C)C=C1	InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3
HMDB29658	2',3'-Dihydroxyacetophenone	CC(=O)C1=C(O)C(O)=CC=C1	InChI=1S/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3
HMDB29659	2',4'-Dihydroxyacetophenone	CC(=O)C1=C(O)C=C(O)C=C1	InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
HMDB49165	TG(18:1(11Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,33,36,58H,4-15,17-18,20,22-23,26-27,29-32,34-35,37-57H2,1-3H3/b19-16-,24-21-,28-25-,36-33-
HMDB36289	Campesteryl stearate	CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C	InChI=1S/C46H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h26,35-37,39-43H,8-25,27-34H2,1-7H3
HMDB36288	Campesteryl elaidate	CCCCCCCC\C=C/CCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C	InChI=1S/C46H80O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,26,35-37,39-43H,8-14,17-25,27-34H2,1-7H3/b16-15-
HMDB42189	TG(14:0/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB42188	TG(14:0/20:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,17,48H,4-13,15-16,18-47H2,1-3H3/b17-14-
HMDB36283	Campesteryl p-coumarate	CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C/C1=CC=C(O)C=C1	InChI=1S/C37H54O3/c1-24(2)25(3)7-8-26(4)32-16-17-33-31-15-12-28-23-30(19-21-36(28,5)34(31)20-22-37(32,33)6)40-35(39)18-11-27-9-13-29(38)14-10-27/h9-14,18,24-26,30-34,38H,7-8,15-17,19-23H2,1-6H3/b18-11-
HMDB36282	6-Hydroxydesacetyluvaricin (incorr.)	CCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CCCC1=CC(C)OC1=O	InChI=1S/C35H62O7/c1-3-4-5-6-10-13-19-29(37)31-21-23-33(41-31)34-24-22-32(42-34)30(38)20-14-11-8-7-9-12-17-28(36)18-15-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3
HMDB36281	Licofuranocoumarin	COC1=C2CC(OC2=CC2=C1C=C(C(=O)O2)C1=C(O)C=C(O)C=C1)C(C)(C)O	InChI=1S/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H3
HMDB36280	Trigoneoside XIIb	CC(CCC1(O)OC2CC3C4CCC5=CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h14,19-21,23-42,46-56H,6-13,15-18H2,1-5H3
HMDB36287	Campesteryl linoleate	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C	InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,26,35-37,39-43H,8-11,14,17-25,27-34H2,1-7H3/b13-12-,16-15-
HMDB36286	Campesteryl alpha-linolenate	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C	InChI=1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h9-10,12-13,15-16,26,35-37,39-43H,8,11,14,17-25,27-34H2,1-7H3/b10-9-,13-12-,16-15-
HMDB36285	Campesteryl ferulate	[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(\[H])C(=O)OC2([H])C([H])([H])C3=C([H])C([H])([H])C4([H])C5([H])C([H])([H])C([H])([H])C([H])(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C5(C([H])([H])[H])C([H])([H])C([H])([H])C4([H])C3(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]	InChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-12,16-17,22,24-26,29-33,39H,8-9,13-15,18-21,23H2,1-7H3/b17-11-
HMDB36284	Campesteryl caffeate	CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C/C1=CC(O)=C(O)C=C1	InChI=1S/C37H54O4/c1-23(2)24(3)7-8-25(4)30-13-14-31-29-12-11-27-22-28(17-19-36(27,5)32(29)18-20-37(30,31)6)41-35(40)16-10-26-9-15-33(38)34(39)21-26/h9-11,15-16,21,23-25,28-32,38-39H,7-8,12-14,17-20,22H2,1-6H3/b16-10-
HMDB44496	TG(16:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,54H,4-6,9,12-15,18,21-24,28,31,33-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-
HMDB42455	TG(14:0/22:1(13Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-
HMDB42454	TG(14:0/22:1(13Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-
HMDB42457	TG(14:0/22:1(13Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-
HMDB42456	TG(14:0/22:1(13Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB42451	TG(14:0/22:1(13Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h23-24,50H,4-22,25-49H2,1-3H3/b24-23-
HMDB42450	TG(14:0/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h24,26,29,31,37,40,53H,4-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b26-24-,31-29-,40-37-
HMDB42453	TG(14:0/22:1(13Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h24-25,52H,4-23,26-51H2,1-3H3/b25-24-
HMDB42452	TG(14:0/22:1(13Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h24-25,51H,4-23,26-50H2,1-3H3/b25-24-
HMDB42459	TG(14:0/22:1(13Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h20,23-25,52H,4-19,21-22,26-51H2,1-3H3/b23-20-,25-24-
HMDB42458	TG(14:0/22:1(13Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,17,23-24,50H,4-13,15-16,18-22,25-49H2,1-3H3/b17-14-,24-23-
HMDB46565	TG(22:0/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,42,45,51,54,66H,4-24,26,29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b28-25-,30-27-,45-42-,54-51-
HMDB46564	TG(22:0/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,40,43,49,52,64H,4-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b28-25-,30-27-,43-40-,52-49-
HMDB46567	TG(22:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,36,39-40,43,45,48,60H,4-17,19-20,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b21-18-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB46566	TG(22:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,35,37,40,46,49,61H,4-20,22-23,25,27-28,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b24-21-,29-26-,35-30-,40-37-,49-46-
HMDB46561	TG(22:0/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34,36,39,45,48,60H,4-25,28,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b29-26-,34-27-,39-36-,48-45-
HMDB46560	TG(22:0/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,36,39,45,48,60H,4-20,22-23,25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b24-21-,29-26-,39-36-,48-45-
HMDB46563	TG(22:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,36,38-39,41,45,47-48,50,62H,4-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46562	TG(22:0/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,41,47,50,62H,4-25,28,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b29-26-,30-27-,41-38-,50-47-
HMDB46569	TG(22:0/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,38-39,41,47,50,62H,4-16,18-19,21-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB46568	TG(22:0/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,37,40,46,49,61H,4-14,16-17,19-23,25,28,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b18-15-,27-24-,29-26-,40-37-,49-46-
HMDB44498	TG(16:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37,56H,4-6,9,12-15,18,21-24,28,32-33,35-36,38-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-
HMDB42284	TG(14:0/14:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15,18,23-24,50H,4-14,16-17,19-22,25-49H2,1-3H3/b18-15-,24-23-
HMDB42285	TG(14:0/14:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h15,18,23-24,52H,4-14,16-17,19-22,25-51H2,1-3H3/b18-15-,24-23-
HMDB42286	TG(14:0/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2/h15,18-19,22,24-25,47H,4-14,16-17,20-21,23,26-46H2,1-3H3/b18-15-,22-19-,25-24-
HMDB53620	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,33-36,41-42,44-45,50,53,63H,4-7,9-10,12-14,21-23,30-32,37-40,43,46-49,51-52,54-62H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,53-50-
HMDB42287	TG(14:0/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h15-16,18-19,23-24,28,30,46H,4-14,17,20-22,25-27,29,31-45H2,1-3H3/b18-15-,19-16-,24-23-,30-28-
HMDB53621	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,38,41,59H,4-6,8,11,13,15,20,22,24,29-30,34-37,39-40,42-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-
HMDB42280	TG(14:0/14:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h15,18-19,22,46H,4-14,16-17,20-21,23-45H2,1-3H3/b18-15-,22-19-
HMDB53622	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,38-39,41-42,59H,4-6,8,11,13,15,20,22,24,29-30,34-37,40,43-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,42-39-
HMDB42281	TG(14:0/14:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h15,18,23-24,46H,4-14,16-17,19-22,25-45H2,1-3H3/b18-15-,24-23-
HMDB53623	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,36,39-40,43,61H,4-6,9,12-14,21-23,30-31,33,35,37-38,41-42,44-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-
HMDB42282	TG(14:0/14:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h15,18,23-24,48H,4-14,16-17,19-22,25-47H2,1-3H3/b18-15-,24-23-
HMDB53624	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,36,39-40,43,45,48,61H,4-6,9,12-14,21-23,30-31,33,35,37-38,41-42,44,46-47,49-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-
HMDB42283	TG(14:0/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h15,18,23-24,26-27,32,35,48H,4-14,16-17,19-22,25,28-31,33-34,36-47H2,1-3H3/b18-15-,24-23-,27-26-,35-32-
HMDB53625	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,33-36,41-42,44-45,63H,4-6,9,12-14,21-23,30-32,37-40,43,46-62H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB39260	Sanguiin H11	OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(O)=O)=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	InChI=1S/C41H28O27/c42-11-1-7(36(56)57)2-15(22(11)46)64-33-21-20(29(53)30(54)31(33)55)19-8(3-12(43)25(49)28(19)52)37(58)63-6-16-32(66-40(21)61)34-35(41(62)65-16)68-39(60)10-5-14(45)24(48)27(51)18(10)17-9(38(59)67-34)4-13(44)23(47)26(17)50/h1-5,16,32,34-35,41-55,62H,6H2,(H,56,57)
HMDB39261	Sanguiin H7	OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C(OC4=CC(=CC(O)=C4O)C(O)=O)=C(O)C(O)=C3O)C(=O)OC2C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C34H26O23/c35-10-2-8(3-11(36)19(10)39)31(49)57-29-26(46)27-15(55-34(29)52)6-53-32(50)9-5-13(38)21(41)22(42)16(9)17-18(33(51)56-27)28(25(45)24(44)23(17)43)54-14-4-7(30(47)48)1-12(37)20(14)40/h1-5,15,26-27,29,34-46,52H,6H2,(H,47,48)
HMDB39262	Sanguiin H2	OC(=O)C1=CC(O)=C(O)C(OC2=C3C(=C(O)C(O)=C2O)C2=C(C=C(O)C(O)=C2O)C(=O)OCC2OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OC4C2OC3=O)=C1	InChI=1S/C48H32O31/c49-14-2-10(3-15(50)27(14)55)43(68)79-48-41-40(77-45(70)12-6-18(53)29(57)32(60)22(12)23-13(46(71)78-41)7-19(54)30(58)33(23)61)38-21(75-48)8-73-44(69)11-5-17(52)31(59)34(62)24(11)25-26(47(72)76-38)39(37(65)36(64)35(25)63)74-20-4-9(42(66)67)1-16(51)28(20)56/h1-7,21,38,40-41,48-65H,8H2,(H,66,67)
HMDB39263	Tercatain	OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC1C2OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)54-28-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(6-17(40)24(44)26(20)46)33(51)55-29(28)27(47)34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9/h1-6,18,27-29,34-47H,7H2
HMDB39264	Heterophylliin A	OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2
HMDB39265	Tellimagrandin II	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2
HMDB39266	Isochesnatin	OCC1OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(O)=O)=C3)C=C2O)C(O)C(O)C1O	InChI=1S/C27H26O18/c28-6-16-19(35)20(36)22(38)27(44-16)45-24-13(31)1-8(2-14(24)32)7-42-26(41)9-3-11(29)17(33)15(4-9)43-23-10(25(39)40)5-12(30)18(34)21(23)37/h1-5,16,19-20,22,27-38H,6-7H2,(H,39,40)
HMDB39267	Chesnatin	OCC1OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(O)C(O)=C3OC3=CC(=CC(O)=C3O)C(O)=O)C=C2O)C(O)C(O)C1O	InChI=1S/C27H26O18/c28-6-16-19(35)20(36)22(38)27(44-16)45-24-13(31)1-8(2-14(24)32)7-42-26(41)10-5-12(30)18(34)21(37)23(10)43-15-4-9(25(39)40)3-11(29)17(15)33/h1-5,16,19-20,22,27-38H,6-7H2,(H,39,40)
HMDB39268	Heterophylliin E	OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1OC(=O)C1CC(=O)C2=C1C1=C(C=C(O)C(O)=C1O)C(=O)O2	InChI=1S/C40H28O25/c41-13-1-8(2-14(42)24(13)47)35(55)65-40-31(54)34(64-39(59)12-6-18(46)32-23(12)22-11(37(57)62-32)5-17(45)27(50)30(22)53)33-19(61-40)7-60-36(56)9-3-15(43)25(48)28(51)20(9)21-10(38(58)63-33)4-16(44)26(49)29(21)52/h1-5,12,19,31,33-34,40-45,47-54H,6-7H2
HMDB39269	Guavin A	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C3OC(=O)C4=C1C(=O)C(O)(O)C1(O)OC5=C(O)C(O)=CC(=C5C41)C(=O)OC3C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O	InChI=1S/C56H40O32/c57-18-2-1-12(3-20(18)59)43-27(66)6-14-19(58)10-21(60)32(44(14)84-43)33-34-35-36-31-17(9-26(65)40(70)46(31)88-56(36,81)55(79,80)49(34)73)53(77)87-48(47(33)86-54(35)78)45-28(83-50(74)13-4-22(61)37(67)23(62)5-13)11-82-51(75)15-7-24(63)38(68)41(71)29(15)30-16(52(76)85-45)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,33,36,43,45,47-48,57-72,79-81H,6,11H2
HMDB53627	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,32-33,38,41,60H,4-6,8-9,11-13,15,18,20-22,24,27,29-31,34-37,39-40,42-59H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,33-32-,41-38-
HMDB28888	Histidinyl-Isoleucine	CCC(C)C(N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
HMDB28889	Histidinyl-Leucine	CC(C)CC(N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C12H20N4O3/c1-7(2)3-9(13)11(17)16-10(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
HMDB28882	Histidinyl-Cysteine	NC(CS)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C9H14N4O3S/c10-6(3-17)8(14)13-7(9(15)16)1-5-2-11-4-12-5/h2,4,6-7,17H,1,3,10H2,(H,11,12)(H,13,14)(H,15,16)
HMDB28883	Histidinyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C11H17N5O4/c12-7(1-2-9(13)17)10(18)16-8(11(19)20)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)
HMDB28880	Histidinyl-Asparagine	NC(CC(N)=O)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C10H15N5O4/c11-6(2-8(12)16)9(17)15-7(10(18)19)1-5-3-13-4-14-5/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)
HMDB28881	Histidinyl-Aspartate	NC(CC(O)=O)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C10H14N4O5/c11-6(2-8(15)16)9(17)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)
HMDB28886	Histidinyl-Hydroxyproline	OC1CNC(C1)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C11H16N4O4/c16-7-2-8(13-4-7)10(17)15-9(11(18)19)1-6-3-12-5-14-6/h3,5,7-9,13,16H,1-2,4H2,(H,12,14)(H,15,17)(H,18,19)
HMDB28887	Histidinyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C12H16N6O3/c13-9(1-7-3-14-5-16-7)11(19)18-10(12(20)21)2-8-4-15-6-17-8/h3-6,9-10H,1-2,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
HMDB28884	Histidinyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C11H16N4O5/c12-7(1-2-9(16)17)10(18)15-8(11(19)20)3-6-4-13-5-14-6/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/p-1
HMDB28885	Histidinyl-Glycine	NCC(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)
HMDB14829	Moexipril	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O	InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1
HMDB14828	Flurazepam	CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F	InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
HMDB14823	Trovafloxacin	[H][C@@]12CN(C[C@]1([H])C2N)C1=C(F)C=C2C(=O)C(=CN(C3=C(F)C=C(F)C=C3)C2=N1)C(O)=O	InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16?
HMDB14822	Tobramycin	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O	InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
HMDB14821	Midazolam	CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12	InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
HMDB14820	Warfarin	CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2	InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
HMDB14827	Cephaloglycin	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O	InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1
HMDB14826	Mycophenolate mofetil	COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C	InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
HMDB14825	Fludrocortisone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
HMDB14824	Pentosan Polysulfate	O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O	InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
HMDB11374	PE(dm18:0/18:1(11Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36,40H,3-13,15,17-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b16-14-,36-33-/t40-/m1/s1
HMDB11375	PE(P-18:0/18:1(9Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,36,40H,3-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b20-18-,36-33-/t40-/m1/s1
HMDB11376	PE(P-18:0/18:2(9Z,12Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,33,36,40H,3-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,36-33-/t40-/m1/s1
HMDB11377	PE(P-18:0/18:3(6Z,9Z,12Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,33,36,40H,3-11,13,15-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB11370	PE(P-18:0/15:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39)46-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h30,33,37H,3-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b33-30-/t37-/m1/s1
HMDB11371	PE(P-18:0/16:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
HMDB11372	PE(P-18:0/16:1(9Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16,31,34,38H,3-13,15,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,34-31-/t38-/m1/s1
HMDB11373	PE(dm18:0/18:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1
HMDB11378	PE(P-18:0/18:3(9Z,12Z,15Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,33,36,40H,3-5,7,9-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,20-18-,36-33-/t40-/m1/s1
HMDB11379	PE(P-18:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,33,36,40H,3-5,7,9-11,13,15-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB48978	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,54H,4-6,9,12-15,18,22-23,28,31-32,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-
HMDB48979	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,35,38,54H,4-6,9,12-15,18,22-23,28,31-32,34,36-37,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-
HMDB48970	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-31,34,55H,4-6,8-9,11-15,17-18,22,26,29,32-33,35-54H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-28-,34-31-
HMDB48971	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33,35,38,54H,4-6,8-9,11-15,18,22-23,28,31-32,34,36-37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-
HMDB48972	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,31,34,55H,4-6,8-9,11-13,15,18,20,22,28-30,32-33,35-54H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,34-31-
HMDB48973	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-32,34-35,56H,4-7,9-10,12-15,18,22-23,29-30,33,36-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-
HMDB48974	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-32,34-35,40,43,56H,4-7,9-10,12-15,18,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB48975	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,34,37,58H,4-7,9-10,12-15,18,22-23,29-33,35-36,38-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-
HMDB48976	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32,34,36-37,39,58H,4-7,9-10,12-15,18,22-23,29,31,33,35,38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-
HMDB48977	TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-7,9-10,12-15,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-
HMDB58348	CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-37,40-44,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB58349	CL(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB58342	CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-37,40-44,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,38-39,45-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58343	CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-37,40-44,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,38-39,45-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB58340	CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58341	CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-41,45,48,56,60,77-79,84H,5-20,22-24,26-32,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58346	CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,48-45-/t77?,78-,79-/m1/s1
HMDB58347	CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-37,40-44,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58344	CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,44,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-44-/t75?,76-,77-/m1/s1
HMDB58345	CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,45,48,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,48-45-/t77?,78-,79-/m1/s1
HMDB29243	Cyanidin 3-O-(6''-malonyl-arabinoside)	[H]OC(=O)C([H])([H])C(=O)OC([H])([H])[C@@]1([H])O[C@]([H])(OC2=C([H])C3=C(O[H])C([H])=C(O[H])C([H])=C3[O+]=C2C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C23H20O13/c24-10-4-13(26)11-6-16(22(34-15(11)5-10)9-1-2-12(25)14(27)3-9)35-23-21(32)20(31)17(36-23)8-33-19(30)7-18(28)29/h1-6,17,20-21,23,31-32H,7-8H2,(H4-,24,25,26,27,28,29)/p+1/t17-,20-,21+,23+/m1/s1
HMDB11951	Ganglioside GQ1c (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C107H181N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h18,20,34,36,57-71,73-99,113-120,126-132,134-143H,8-17,19,21-33,35,37-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b20-18-,36-34+/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1
HMDB11952	Ganglioside GQ1c (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C107H181N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h22-23,34,36,57-71,73-99,113-120,126-132,134-143H,8-21,24-33,35,37-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b23-22-,36-34+/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1
HMDB11953	Ganglioside GQ1c (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C109H187N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-74(135)114-60(61(128)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)53-154-99-86(143)85(142)90(72(51-121)157-99)160-101-88(145)97(91(73(52-122)158-101)161-98-59(40-54(3)123)89(81(138)68(47-117)155-98)159-100-87(144)96(82(139)69(48-118)156-100)168-108(104(150)151)43-64(131)76(111-56(5)125)93(165-108)80(137)67(134)46-116)169-109(105(152)153)44-65(132)78(113-58(7)127)95(167-109)84(141)71(50-120)163-107(103(148)149)42-63(130)77(112-57(6)126)94(166-107)83(140)70(49-119)162-106(102(146)147)41-62(129)75(110-55(4)124)92(164-106)79(136)66(133)45-115/h36,38,59-73,75-101,115-122,128-134,136-145H,8-35,37,39-53H2,1-7H3,(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,135)(H,146,147)(H,148,149)(H,150,151)(H,152,153)/b38-36+/t59-,60+,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80-,81+,82+,83-,84-,85-,86-,87-,88-,89-,90-,91+,92?,93?,94?,95?,96+,97-,98+,99-,100+,101+,106-,107-,108+,109+/m1/s1
HMDB11954	Ganglioside GQ1c (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C111H191N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-76(137)116-62(63(130)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-156-101-88(145)87(144)92(74(53-123)159-101)162-103-90(147)99(93(75(54-124)160-103)163-100-61(42-56(3)125)91(83(140)70(49-119)157-100)161-102-89(146)98(84(141)71(50-120)158-102)170-110(106(152)153)45-66(133)78(113-58(5)127)95(167-110)82(139)69(136)48-118)171-111(107(154)155)46-67(134)80(115-60(7)129)97(169-111)86(143)73(52-122)165-109(105(150)151)44-65(132)79(114-59(6)128)96(168-109)85(142)72(51-121)164-108(104(148)149)43-64(131)77(112-57(4)126)94(166-108)81(138)68(135)47-117/h38,40,61-75,77-103,117-124,130-136,138-147H,8-37,39,41-55H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/b40-38+/t61-,62+,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94?,95?,96?,97?,98+,99-,100+,101-,102+,103+,108-,109-,110+,111+/m1/s1
HMDB11955	Ganglioside GQ1c (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C111H189N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-76(137)116-62(63(130)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-156-101-88(145)87(144)92(74(53-123)159-101)162-103-90(147)99(93(75(54-124)160-103)163-100-61(42-56(3)125)91(83(140)70(49-119)157-100)161-102-89(146)98(84(141)71(50-120)158-102)170-110(106(152)153)45-66(133)78(113-58(5)127)95(167-110)82(139)69(136)48-118)171-111(107(154)155)46-67(134)80(115-60(7)129)97(169-111)86(143)73(52-122)165-109(105(150)151)44-65(132)79(114-59(6)128)96(168-109)85(142)72(51-121)164-108(104(148)149)43-64(131)77(112-57(4)126)94(166-108)81(138)68(135)47-117/h22-23,38,40,61-75,77-103,117-124,130-136,138-147H,8-21,24-37,39,41-55H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/b23-22-,40-38+/t61-,62+,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94?,95?,96?,97?,98+,99-,100+,101-,102+,103+,108-,109-,110+,111+/m1/s1
HMDB11956	Ganglioside GQ1c (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C112H193N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-77(138)117-63(64(131)41-39-37-35-33-31-29-21-19-17-15-13-11-9-2)56-157-102-89(146)88(145)93(75(54-124)160-102)163-104-91(148)100(94(76(55-125)161-104)164-101-62(43-57(3)126)92(84(141)71(50-120)158-101)162-103-90(147)99(85(142)72(51-121)159-103)171-111(107(153)154)46-67(134)79(114-59(5)128)96(168-111)83(140)70(137)49-119)172-112(108(155)156)47-68(135)81(116-61(7)130)98(170-112)87(144)74(53-123)166-110(106(151)152)45-66(133)80(115-60(6)129)97(169-110)86(143)73(52-122)165-109(105(149)150)44-65(132)78(113-58(4)127)95(167-109)82(139)69(136)48-118/h39,41,62-76,78-104,118-125,131-137,139-148H,8-38,40,42-56H2,1-7H3,(H,113,127)(H,114,128)(H,115,129)(H,116,130)(H,117,138)(H,149,150)(H,151,152)(H,153,154)(H,155,156)/b41-39+/t62-,63+,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-,80-,81-,82-,83-,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94+,95?,96?,97?,98?,99+,100-,101+,102-,103+,104+,109-,110-,111+,112+/m1/s1
HMDB11957	Ganglioside GQ1c (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C113H195N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h40,42,63-77,79-105,119-126,132-138,140-149H,8-39,41,43-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/b42-40+/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1
HMDB11958	Ganglioside GQ1c (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C113H193N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h22-23,40,42,63-77,79-105,119-126,132-138,140-149H,8-21,24-39,41,43-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/b23-22-,42-40+/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1
HMDB11959	Ganglioside GQ1c (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C114H197N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-79(140)119-65(66(133)43-41-39-37-35-33-31-21-19-17-15-13-11-9-2)58-159-104-91(148)90(147)95(77(56-126)162-104)165-106-93(150)102(96(78(57-127)163-106)166-103-64(45-59(3)128)94(86(143)73(52-122)160-103)164-105-92(149)101(87(144)74(53-123)161-105)173-113(109(155)156)48-69(136)81(116-61(5)130)98(170-113)85(142)72(139)51-121)174-114(110(157)158)49-70(137)83(118-63(7)132)100(172-114)89(146)76(55-125)168-112(108(153)154)47-68(135)82(117-62(6)131)99(171-112)88(145)75(54-124)167-111(107(151)152)46-67(134)80(115-60(4)129)97(169-111)84(141)71(138)50-120/h41,43,64-78,80-106,120-127,133-139,141-150H,8-40,42,44-58H2,1-7H3,(H,115,129)(H,116,130)(H,117,131)(H,118,132)(H,119,140)(H,151,152)(H,153,154)(H,155,156)(H,157,158)/b43-41+/t64-,65+,66-,67+,68+,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-,82-,83-,84-,85-,86+,87+,88-,89-,90-,91-,92-,93-,94-,95-,96+,97?,98?,99?,100?,101+,102-,103+,104-,105+,106+,111-,112-,113+,114+/m1/s1
HMDB29242	Cyanidin 3-O-dimalonyl-laminaribioside	[H]OC(=O)C([H])([H])C(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(OC3=C([H])C4=C(O[H])C([H])=C(O[H])C([H])=C4[O+]=C3C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C(=O)O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C33H34O22/c34-12-4-15(36)13-6-18(30(51-17(13)5-12)11-1-2-14(35)16(37)3-11)52-33-29(48)31(26(45)20(54-33)10-50-24(43)8-22(40)41)55-32-28(47)27(46)25(44)19(53-32)9-49-23(42)7-21(38)39/h1-6,19-20,25-29,31-33,44-48H,7-10H2,(H5-,34,35,36,37,38,39,40,41)/p+1/t19-,20-,25-,26-,27+,28-,29-,31+,32+,33-/m1/s1
HMDB10027	PIP(22:4(10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-18,20-21,39,42-47,50-53H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10024	PIP(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h8,10-11,13-14,16-18,20-21,39,42-47,50-53H,3-7,9,12,15,19,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10023	PIP(22:2(13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,39,42-47,50-53H,3-10,12,14-16,19-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10022	PIP(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-19,21-23,39,42-47,50-53H,3-4,6,8-10,12,14-16,20,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10021	PIP(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13-14,16-17,19,22-23,39,42-47,50-53H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10020	PIP(20:4(8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17,19,22-23,39,42-47,50-53H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,19-17-,23-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10029	PIP(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,20-21,24-25,29,31,39,42-47,50-53H,3-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-,21-20-,25-24-,31-29-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB10028	PIP(22:4(7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,20-21,24-25,39,42-47,50-53H,3-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-,21-20-,25-24-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB43988	TG(16:0/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,41,60H,4-15,17-18,20-24,26,28-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,27-25-,33-31-,41-38-
HMDB43989	TG(16:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,41,47,50,60H,4-15,17-18,20-24,26,28-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,27-25-,33-31-,41-38-,50-47-
HMDB43984	TG(16:0/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,57H,4-13,15-16,18-22,24-25,27-56H2,1-3H3/b17-14-,26-23-
HMDB43985	TG(16:0/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,58H,4-16,18-19,21-25,27,29-32,34-35,37-57H2,1-3H3/b20-17-,28-26-,36-33-
HMDB43986	TG(16:0/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,42,45,58H,4-16,18-19,21-25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,28-26-,36-33-,45-42-
HMDB04952	Ceramide (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
HMDB04953	Ceramide (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17-,37-35+/t40-,41+/m0/s1
HMDB04950	Ceramide (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
HMDB04951	Ceramide (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40-41H,3-30,32,34-35H2,1-2H3,(H,39,42)/b33-31+/t36-,37+/m0/s1
HMDB04956	Ceramide (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1
HMDB04957	Ceramide (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C43H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,41-42,45-46H,3-35,37,39-40H2,1-2H3,(H,44,47)/b38-36+/t41-,42+/m0/s1
HMDB04954	Ceramide (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,37,39,42-43,46-47H,3-16,19-36,38,40-41H2,1-2H3,(H,45,48)/b18-17-,39-37+/t42-,43+/m0/s1
HMDB04955	Ceramide (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,42-43,46-47H,3-36,38,40-41H2,1-2H3,(H,45,48)/b39-37+/t42-,43+/m0/s1
HMDB43980	TG(16:0/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,60H,4-24,26,28-59H2,1-3H3/b27-25-
HMDB04958	Tetrahexosylceramide (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC	InChI=1S/C56H102N2O23/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(64)34(58-40(65)27-25-23-21-18-13-11-9-7-5-2)32-74-54-47(71)45(69)50(38(30-61)77-54)79-55-48(72)46(70)51(39(31-62)78-55)80-56-49(73)52(43(67)37(29-60)76-56)81-53-41(57-33(3)63)44(68)42(66)36(28-59)75-53/h24,26,34-39,41-56,59-62,64,66-73H,4-23,25,27-32H2,1-3H3,(H,57,63)(H,58,65)/b26-24+/t34-,35+,36+,37+,38+,39+,41+,42-,43-,44+,45+,46+,47?,48+,49+,50+,51-,52-,53-,54+,55-,56+/m0/s1
HMDB04959	Tetrahexosylceramide (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h18-19,30,32,40-45,47-62,65-68,70,72-79H,4-17,20-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b19-18-,32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1
HMDB43981	TG(16:0/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-
HMDB43982	TG(16:0/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h20,23,28,32,57H,4-19,21-22,24-27,29-31,33-56H2,1-3H3/b23-20-,32-28-
HMDB43983	TG(16:0/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,37,40,56H,4-16,18-19,21-25,27-30,32-36,38-39,41-55H2,1-3H3/b20-17-,31-26-,40-37-
HMDB51008	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30-33,38,41,54H,4-6,8-9,11-14,17,20-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB51009	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30-33,37-38,40-41,54H,4-6,8-9,11-14,17,20-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB51006	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-29,31,36,39,52H,4-7,9-10,12-14,16,19,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,31-29-,39-36-
HMDB03306	Phloretin	OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1	InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
HMDB51004	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31-32,34-35,38-39,42,56H,4-14,17,20-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB51005	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-14,17,20-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB51002	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30-33,37-38,40-41,54H,4-14,17,20-23,28-29,34-36,39,42-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB51003	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,32,34,39,42,56H,4-14,17,20-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,34-32-,42-39-
HMDB51000	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,30,32,37,40,53H,4-13,16,19-22,27-29,31,33-36,38-39,41-52H2,1-3H3/b17-14-,18-15-,25-23-,26-24-,32-30-,40-37-
HMDB51001	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30-33,38,41,54H,4-14,17,20-23,28-29,34-37,39-40,42-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB55938	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50-
HMDB55936	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB55937	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43-48,52-57,66H,4-6,9,12-15,22-24,31-33,40-42,49-51,58-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-,57-54-
HMDB55934	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,40,43,49,52,63H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB55935	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43-48,52-53,55-56,66H,4-6,9,12-15,22-24,31-33,40-42,49-51,54,57-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-
HMDB55932	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,47-48,50,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35,37,40,42-44,46,49,51-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-,50-47-
HMDB55933	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,9,12-15,22-24,31-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB55930	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,36,38-39,41,47,50,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35,37,40,42-46,48-49,51-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,50-47-
HMDB07210	DG(18:1(11Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,43,46H,3-13,15,18,20-42H2,1-2H3/b16-14-,19-17-/t43-/m0/s1
HMDB12378	PS(18:0/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
HMDB07212	DG(18:1(9Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,16-17,33,36H,3-9,11,13-15,18-32H2,1-2H3/b12-10-,17-16-/t33-/m0/s1
HMDB07213	DG(18:1(9Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h17-18,34,37H,3-16,19-33H2,1-2H3/b18-17-/t34-/m0/s1
HMDB07214	DG(18:1(9Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1
HMDB07215	DG(18:1(9Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,35,38H,3-13,15,19-34H2,1-2H3/b16-14-,18-17-/t35-/m0/s1
HMDB07216	DG(18:1(9Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,37,40H,3-16,18,20-36H2,1-2H3/b19-17-/t37-/m0/s1
HMDB07217	DG(18:1(9Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40H,3-13,15,18,20-36H2,1-2H3/b16-14-,19-17-/t37-/m0/s1
HMDB12371	PS(16:1(9Z)/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,38-39H,3-10,12,15,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,18-17-,22-20-/t38-,39+/m1/s1
HMDB12370	PS(16:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,36-37H,3-4,6,8-10,12,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,16-14-,18-17-/t36-,37+/m1/s1
HMDB12373	PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C44H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,40-41H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t40-,41+/m1/s1
HMDB12372	PS(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,38-39H,3-10,12,15,19,21,23-25,27,29-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,18-17-,22-20-,28-26-/t38-,39+/m1/s1
HMDB12375	PS(18:0/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,34-35H,3-9,11,13-33,39H2,1-2H3,(H,42,43)(H,44,45)/b12-10-/t34-,35+/m1/s1
HMDB12374	PS(18:0/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34-,35+/m1/s1
HMDB12377	PS(18:0/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,36-37H,3-13,15,17-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-/t36-,37+/m1/s1
HMDB12376	PS(18:0/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C40H78NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h36-37H,3-35,41H2,1-2H3,(H,44,45)(H,46,47)/t36-,37+/m1/s1
HMDB53699	TG(20:3n6/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,35,37-38,41,47,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-
HMDB01537	6-Hydroxydopamine	NCCC1=C(O)C=C(O)C(O)=C1	InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
HMDB47212	TG(24:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,35,40,42,62H,4-16,18-19,22-23,25,27,29-32,34,36-39,41,43-61H2,1-3H3/b20-17-,24-21-,28-26-,35-33-,42-40-
HMDB30802	Patuletin	COC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3
HMDB53691	TG(20:3n6/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,37,60H,4-15,18,21-24,27,30-34,36,38-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-35-
HMDB53690	TG(20:3n6/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,41,44,58H,4-15,18,21-24,27,30-32,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-
HMDB53693	TG(20:3n6/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,37-38,41,47,50,60H,4-15,18,21-24,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-
HMDB47213	TG(24:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,35,40,42,48,51,62H,4-16,18-19,22-23,25,27,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b20-17-,24-21-,28-26-,35-33-,42-40-,51-48-
HMDB53695	TG(20:3n6/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,32,34,36,39,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-
HMDB30801	1-(4-Hydroxy-3-methoxyphenyl)-3-decanone	CCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1	InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3
HMDB53697	TG(20:3n6/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,41,44,58H,4-6,8-9,11-15,18,21-24,27,30-32,37-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,44-41-
HMDB53696	TG(20:3n6/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,58H,4-6,8-9,11-15,18,21-24,27,30-32,37-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-
HMDB30800	3-Methoxy-4,5-methylenedioxybenzoic acid	COC1=C2OCOC2=CC(=C1)C(O)=O	InChI=1S/C9H8O5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3,(H,10,11)
HMDB01533	5,10-Methylene-THF	[H][C@@]12CN(CN1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O	InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13?/m1/s1
HMDB01532	dATP	NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1	InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
HMDB50351	TG(20:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,34,37,54H,4-7,9-10,12-16,18-19,21-24,28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,37-34-
HMDB50350	TG(20:1(11Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,54H,4-7,9-10,12-16,18-19,21-24,28,30-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-
HMDB50353	TG(20:1(11Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,34,39,42,56H,4-6,8-9,11-15,17-18,20-24,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,42-39-
HMDB50352	TG(20:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,34,56H,4-6,8-9,11-15,17-18,20-24,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-
HMDB50355	TG(20:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-37-,48-45-
HMDB37853	2-Methyl-4-propyloxazole	CCCC1=COC(C)=N1	InChI=1S/C7H11NO/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3
HMDB50357	TG(20:1(11Z)/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,58H,4-24,27,30-57H2,1-3H3/b28-25-,29-26-
HMDB50356	TG(20:1(11Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-
HMDB50359	TG(20:1(11Z)/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-
HMDB50358	TG(20:1(11Z)/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33,35,41,44,58H,4-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b28-25-,29-26-,35-33-,44-41-
HMDB30804	2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C(O)=C2)C(O)=C1O	InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
HMDB53388	TG(20:2n6/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20-22,24-26,29,35,38,55H,4-7,9-10,12,14-15,18-19,23,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,29-26-,38-35-
HMDB30704	Taxiphyllin	OCC1OC(OC(C#N)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2
HMDB53529	TG(20:2n6/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33,35,41,44,50,53,63H,4-14,21-23,30-32,34,36-40,42-43,45-49,51-52,54-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB30705	3,4-Di-O-caffeoylquinic acid	O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
HMDB53527	TG(20:2n6/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,63H,4-14,21-23,30-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-
HMDB53526	TG(20:2n6/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,36,39,45,48,61H,4-14,21-23,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,39-36-,48-45-
HMDB53525	TG(20:2n6/22:2(13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,36,39,61H,4-14,21-23,30-35,37-38,40-60H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,39-36-
HMDB53524	TG(20:2n6/22:2(13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14-19,23-28,60H,4-13,20-22,29-59H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-
HMDB53523	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,36,42,45,58H,4-13,15,18,20-22,24,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,36-33-,45-42-
HMDB30706	3,5-Di-O-caffeoylquinic acid	O[C@H]1[C@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C[C@@](O)(C[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(=O)O	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
HMDB53521	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,37,39-40,42,46,49,61H,4-6,8-9,11-14,21-23,30-31,33,35-36,38,41,43-45,47-48,50-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-
HMDB53520	TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,34-35,37-38,43-44,46-47,59H,4-6,8-9,11-14,21-23,30-33,36,39-42,45,48-58H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB55200	TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,36,39,52H,4-6,9,12-14,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-
HMDB55201	TG(18:3(9Z,12Z,15Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,36,54H,4-6,9,12-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-
HMDB55202	TG(18:3(9Z,12Z,15Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,33,36,41,44,54H,4-6,9,12-14,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-
HMDB30707	4,5-Di-O-caffeoylquinic acid	O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
HMDB55204	TG(18:3(9Z,12Z,15Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,52H,4-6,9,12-15,18,22-23,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-
HMDB55205	TG(18:3(9Z,12Z,15Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,32,35,52H,4-6,9,12-15,18,22-23,29-31,33-34,36-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,35-32-
HMDB55206	TG(18:3(9Z,12Z,15Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,54H,4-6,9,12-15,18,22-23,28,31-32,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-
HMDB55207	TG(18:3(9Z,12Z,15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-30,33,38,41,54H,4-6,9,12-15,18,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,41-38-
HMDB55208	TG(18:3(9Z,12Z,15Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,37,56H,4-6,9,12-15,18,22-23,28,32-34,36,38-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-
HMDB37572	Kaempferol 5-glucoside	OCC1OC(OC2=C3C(=O)C(O)=C(OC3=CC(O)=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)31-12-6-10(24)5-11-14(12)16(26)18(28)20(30-11)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2
HMDB30701	8-Desoxygartanin	CC(C)=CCC1=C(O)C2=C(OC3=C(C=CC=C3O)C2=O)C(CC=C(C)C)=C1O	InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
HMDB30702	Neochlorogenin	CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3
HMDB30703	Dhelwangin	CC(C)CCC(=O)C1=C(O)C=C(C)OC1=O	InChI=1S/C12H16O4/c1-7(2)4-5-9(13)11-10(14)6-8(3)16-12(11)15/h6-7,14H,4-5H2,1-3H3
HMDB06628	p-Lacto-N-hexaose	CC(=O)N[C@@H]1[C@@H](O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OCC1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O	InChI=1S/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18?,19+,20+,21+,22-,23-,24+,25-,26+,27-,28-,29+,30+,31+,32+,33?,34+,35-,36+,37-,38-,39-,40-/m0/s1
HMDB46831	TG(22:0/18:3(9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-
HMDB06622	Difucosyllacto-N-hexaose a	[H][C@@]1(O[C@@H]2[C@@H](NC(C)=O)[C@H](OC[C@H]3O[C@@H](OC([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](C)[C@@H](O[C@]4([H])O[C@H](CO)[C@@H](O)C(O[C@]5([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@]5([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@H]2O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C52H88N2O39/c1-12-39(87-48-23(53-14(3)61)42(29(69)20(9-59)82-48)90-52-44(34(74)28(68)19(8-58)84-52)92-49-36(76)31(71)25(65)13(2)81-49)30(70)22(86-46(12)88-40(17(64)6-56)26(66)16(63)5-55)11-80-47-24(54-15(4)62)43(91-51-38(78)33(73)35(75)45(79)93-51)41(21(10-60)85-47)89-50-37(77)32(72)27(67)18(7-57)83-50/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,34+,35+,36+,37-,38+,39-,40?,41-,42?,43-,44-,45-,46+,47-,48+,49+,50+,51-,52+/m1/s1
HMDB06620	Fucosyllactose	CO[C@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	InChI=1S/C18H32O15/c1-28-16-14(27)15(33-18-13(26)11(24)9(22)6(2-19)31-18)10(23)7(32-16)4-30-17-12(25)8(21)5(20)3-29-17/h5-27H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1
HMDB06621	Trifucosyllacto-N-hexaose	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(NC(C)=O)C(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC(CO)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C58H98N2O43/c1-13-27(71)34(78)39(83)53(89-13)98-46-23(11-66)95-52(26(60-17(5)68)48(46)101-58-50(38(82)32(76)21(9-64)93-58)103-55-41(85)36(80)29(73)15(3)91-55)102-49-33(77)24(96-57(43(49)87)97-44(19(70)7-62)30(74)18(69)6-61)12-88-51-25(59-16(4)67)47(100-54-40(84)35(79)28(72)14(2)90-54)45(22(10-65)94-51)99-56-42(86)37(81)31(75)20(8-63)92-56/h6,13-15,18-58,62-66,69-87H,7-12H2,1-5H3,(H,59,67)(H,60,68)
HMDB06627	Sialyl Lex tetra	[H][C@@](O[C@@H]1O[C@H](CO)[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O[C@]2([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O)([C@@H](O)C=O)[C@@H](O)[C@H](O)CO	InChI=1S/C37H62N2O28/c1-10-21(51)25(55)26(56)34(60-10)65-31-20(39-12(3)46)33(63-28(16(50)7-42)22(52)14(48)5-40)62-18(9-44)29(31)64-35-27(57)32(24(54)17(8-43)61-35)67-37(36(58)59)4-13(47)19(38-11(2)45)30(66-37)23(53)15(49)6-41/h7,10,13-35,40-41,43-44,47-57H,4-6,8-9H2,1-3H3,(H,38,45)(H,39,46)(H,58,59)/t10-,13-,14+,15+,16-,17+,18+,19+,20+,21+,22-,23+,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37-/m0/s1
HMDB06625	Neu5Ac(2-&gt;3)Gal(1-&gt;4)GlcNAc(1-&gt;2) Man(1-&gt;3)Neu5Ac(2-&gt;3)Gal(1-&gt;4)GlcNAc(1-&gt;2)Man(1-&gt;6)Man(1-&gt;4)GlcNAc(1-&gt;4)GlcNAc	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C84H138N6O62/c1-20(101)85-39-26(107)7-83(81(128)129,149-65(39)45(111)28(109)9-91)151-68-49(115)32(13-95)134-77(59(68)125)144-63-36(17-99)139-74(43(54(63)120)89-24(5)105)147-70-56(122)47(113)30(11-93)136-79(70)132-19-38-51(117)67(58(124)76(141-38)143-62-35(16-98)138-73(42(53(62)119)88-23(4)104)142-61-34(15-97)133-72(127)41(52(61)118)87-22(3)103)146-80-71(57(123)48(114)31(12-94)137-80)148-75-44(90-25(6)106)55(121)64(37(18-100)140-75)145-78-60(126)69(50(116)33(14-96)135-78)152-84(82(130)131)8-27(108)40(86-21(2)102)66(150-84)46(112)29(110)10-92/h26-80,91-100,107-127H,7-19H2,1-6H3,(H,85,101)(H,86,102)(H,87,103)(H,88,104)(H,89,105)(H,90,106)(H,128,129)(H,130,131)/t26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67-,68-,69-,70-,71-,72?,73-,74-,75-,76-,77-,78-,79-,80+,83-,84-/m0/s1
HMDB09511	PE(22:0/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C45H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h37,40,44H,3-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b40-37-/t44-/m1/s1
HMDB09510	PE(22:0/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h35,38,42H,3-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b38-35-/t42-/m1/s1
HMDB09513	PE(22:0/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,37,40,44H,3-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b20-18-,40-37-/t44-/m1/s1
HMDB09512	PE(22:0/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16,37,40,44H,3-13,15,17-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,40-37-/t44-/m1/s1
HMDB09515	PE(22:1(13Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10,12,16-17,39H,3-9,11,13-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,17-16-/t39-/m1/s1
HMDB09514	PE(22:1(13Z)/14:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h16-17,39H,3-15,18-38,42H2,1-2H3,(H,45,46)/b17-16-/t39-/m1/s1
HMDB09517	PE(22:1(13Z)/16:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h17-18,41H,3-16,19-40,44H2,1-2H3,(H,47,48)/b18-17-/t41-/m1/s1
HMDB09516	PE(22:1(13Z)/15:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h17-18,40H,3-16,19-39,43H2,1-2H3,(H,46,47)/b18-17-/t40-/m1/s1
HMDB09519	PE(22:1(13Z)/18:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1
HMDB09518	PE(22:1(13Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h14,16-18,41H,3-13,15,19-40,44H2,1-2H3,(H,47,48)/b16-14-,18-17-/t41-/m1/s1
HMDB29129	Valyl-Histidine	CC(C)C(NC(=O)C(N)CC1=CN=CN1)C(O)=O	InChI=1S/C11H18N4O3/c1-6(2)9(11(17)18)15-10(16)8(12)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)
HMDB46830	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,41,44,50,53,63H,4-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-62H2,1-3H3/b20-17-,29-26-,36-34-,44-41-,53-50-
HMDB55708	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-
HMDB40602	(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside	OCC1OC(OCC(O)C(O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C15H22O9/c16-5-10-12(20)13(21)14(22)15(24-10)23-6-9(18)11(19)7-1-3-8(17)4-2-7/h1-4,9-22H,5-6H2
HMDB40603	()-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol	OCC(O)C(O)C1=CC=C(O)C=C1	InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2
HMDB40600	Guaiacylglycerol; (1x,2x)-form, 3-O-b-D-Glucopyranoside	COC1=C(O)C=CC(=C1)C(O)C(O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)18)12(20)9(19)6-25-16-15(23)14(22)13(21)11(5-17)26-16/h2-4,9,11-23H,5-6H2,1H3
HMDB40601	(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside	OCC(OC1OC(CO)C(O)C(O)C1O)C(O)C1=CC=C(O)C=C1	InChI=1S/C15H22O9/c16-5-9(11(19)7-1-3-8(18)4-2-7)23-15-14(22)13(21)12(20)10(6-17)24-15/h1-4,9-22H,5-6H2
HMDB40606	Kanzonol I	COC1=CC2=C(CC(CO2)C2=CC=C(O)C3=C2OC(C)(C)C=C3)C(OC)=C1CC=C(C)C	InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3
HMDB40607	Kanzonol H	COC1=C2CC(COC2=CC2=C1CCC(C)(C)O2)C1=C(O)C(CC=C(C)C)=C(O)C=C1	InChI=1S/C26H32O5/c1-15(2)6-7-18-21(27)9-8-17(24(18)28)16-12-20-22(30-14-16)13-23-19(25(20)29-5)10-11-26(3,4)31-23/h6,8-9,13,16,27-28H,7,10-12,14H2,1-5H3
HMDB40604	2',4',5,5',7-Pentahydroxyisoflavanone; (x)-form, 4',5'-Methylene, 2'-Me ether,  7-O-(6-O-malonyl-b-D-glucopyranoside)	COC1=C(C=C2OCOC2=C1)C1COC2=C(C(O)=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=C2)C1=O	InChI=1S/C26H26O15/c1-35-14-5-16-15(38-9-39-16)4-11(14)12-7-36-17-3-10(2-13(27)21(17)22(12)31)40-26-25(34)24(33)23(32)18(41-26)8-37-20(30)6-19(28)29/h2-5,12,18,23-27,32-34H,6-9H2,1H3,(H,28,29)
HMDB40605	Kanzonol J	COC1=C2CCC(C)(C)OC2=CC2=C1CC(CO2)C1=CC=C(O)C2=C1OC(C)(C)C=C2	InChI=1S/C26H30O5/c1-25(2)11-9-18-22(30-25)13-21-19(23(18)28-5)12-15(14-29-21)16-6-7-20(27)17-8-10-26(3,4)31-24(16)17/h6-8,10,13,15,27H,9,11-12,14H2,1-5H3
HMDB51583	TG(22:1(13Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34-35,37,60H,4-16,18-19,21-24,30-33,36,38-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,37-35-
HMDB51582	TG(22:1(13Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,33,59H,4-13,15-16,18-22,24,29-32,34-58H2,1-3H3/b17-14-,26-23-,28-25-,33-27-
HMDB40608	Kanzonol F	COC1=C(CC=C(C)C)C(O)=CC2=C1C1OC3=C(C=C4C=CC(C)(C)OC4=C3)C1CO2	InChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)11-22-23(24(16)28-5)25-18(13-29-22)17-10-15-8-9-26(3,4)31-20(15)12-21(17)30-25/h6,8-12,18,25,27H,7,13H2,1-5H3
HMDB40609	Theaflavic acid	[H]OC(=O)C1=C([H])C2=C(C(O[H])=C(O[H])C([H])=C2C2([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C([H])([H])C2([H])O[H])C(=O)C(O[H])=C1[H]	InChI=1S/C21H16O10/c22-8-3-12(23)11-6-15(26)20(31-16(11)4-8)10-5-14(25)19(28)17-9(10)1-7(21(29)30)2-13(24)18(17)27/h1-5,15,20,22-23,25-26,28H,6H2,(H,24,27)(H,29,30)
HMDB45238	TG(18:0/22:4(7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,64H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,29-26-,37-34-,46-43-
HMDB45239	TG(18:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,28-29,33,36,54H,4-14,17,20-23,25,27,30-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,36-33-
HMDB51585	TG(22:1(13Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,36,62H,4-15,17-18,20-24,30-35,37-61H2,1-3H3/b19-16-,28-25-,29-26-,36-27-
HMDB51584	TG(22:1(13Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34-35,37,43,46,60H,4-16,18-19,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB55704	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-
HMDB53505	TG(20:2n6/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,36-37,40,57H,4-8,10-11,13,15,20,22,24,29-30,32,34-35,38-39,41-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,36-33-,40-37-
HMDB49726	TG(18:1(9Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,26-29,52H,4-18,20-21,23-25,30-51H2,1-3H3/b22-19-,28-26-,29-27-
HMDB49727	TG(18:1(9Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,34,51H,4-15,17-18,20-24,29-31,33,35-50H2,1-3H3/b19-16-,27-25-,28-26-,34-32-
HMDB49724	TG(18:1(9Z)/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h25-27,31,55H,4-24,28-30,32-54H2,1-3H3/b27-25-,31-26-
HMDB49725	TG(18:1(9Z)/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h25-27,33,57H,4-24,28-32,34-56H2,1-3H3/b27-25-,33-26-
HMDB49722	TG(18:1(9Z)/15:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29,53H,4-24,28,30-52H2,1-3H3/b27-25-,29-26-
HMDB49723	TG(18:1(9Z)/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,37,40,53H,4-24,28,31,33-36,38-39,41-52H2,1-3H3/b27-25-,29-26-,32-30-,40-37-
HMDB49720	TG(18:1(9Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-
HMDB49721	TG(18:1(9Z)/15:0/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25-,28-26-
HMDB49728	TG(18:1(9Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25-26,28,52H,4-12,14-15,17-21,23-24,27,29-51H2,1-3H3/b16-13-,25-22-,28-26-
HMDB49729	TG(18:1(9Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,53H,4-15,17-18,20-24,28,31,33-52H2,1-3H3/b19-16-,27-25-,29-26-,32-30-
HMDB55703	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB58979	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,47-49,53,55,58-60,62-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-/t83?,84-,85-/m1/s1
HMDB55702	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-
HMDB35758	Momordicin I	CC(CC(O)C=C(C)C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O	InChI=1S/C30H48O4/c1-18(2)14-20(32)15-19(3)21-10-11-29(7)26-24(33)16-23-22(8-9-25(34)27(23,4)5)30(26,17-31)13-12-28(21,29)6/h14,16-17,19-22,24-26,32-34H,8-13,15H2,1-7H3
HMDB35759	7-Ethyl-5,6-dihydro-1,4-dimethylazulene	CCC1=CCC(C)C2=CC=C(C)C2=C1	InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6-10H,4-5H2,1-3H3
HMDB35754	Phytuberin	CC(=O)OC(C)(C)C1CCC2(C)COC3(C)C=COC23C1	InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3
HMDB35755	3,7-Dimethyl-6-octen-1-ol	CC(CCO)CCC=C(C)C	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
HMDB35756	Cascaroside A	OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2O)C3C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2
HMDB35757	Cascaroside C	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O	InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3
HMDB35750	Ziziphin	CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(CC43CO6)OC(CC5(C)OC3OC(C)C(O)C(OC(C)=O)C3OC(C)=O)C=C(C)C)C2(C)C)C(O)C(O)C1O	InChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)39(64-26(5)52)35(56)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)66-44-40(36(57)30(54)20-60-44)67-43-38(59)37(58)34(55)24(3)62-43/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3
HMDB35751	Ganolucidic acid B	CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3	InChI=1S/C30H46O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22-24,33-34H,8-15H2,1-7H3,(H,35,36)
HMDB35752	Hydrocyanic acid	C#N	InChI=1S/CHN/c1-2/h1H
HMDB35753	(R)-(E)-4,7-Megastigmadien-9-one	CC(=O)\C=C\[C@H]1C(C)=CCCC1(C)C	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
HMDB33341	Mollicellin C	COC1=C(O)C2=C(OC3=C(C(C)=CC(O)=C3C=O)C(=O)O2)C(C)=C1C(=O)C=C(C)C	InChI=1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3
HMDB33340	Mollicellin B	CC1=CC(O)=C(C=O)C2=C1C(=O)OC1=C(C)C3=C(OC(C)(C)CC3=O)C=C1O2	InChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)27-18-10(2)17-13(24)7-21(3,4)28-14(17)6-15(18)26-19/h5-6,8,23H,7H2,1-4H3
HMDB33343	Mollicellin D	CC(C)=CCC1=C(C)C2=C(OC3=C(C(C)=C(Cl)C(O)=C3CO)C(=O)O2)C=C1O	InChI=1S/C21H21ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7,23-25H,6,8H2,1-4H3
HMDB33342	Mollicellin E	COC1=C(O)C2=C(OC3=C(C(C)=C(Cl)C(O)=C3C=O)C(=O)O2)C(C)=C1C(=O)C=C(C)C	InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3
HMDB33345	()-Ribaline	CN1C2=C(CC(O2)C(C)(C)O)C(=O)C2=C1C=CC(O)=C2	InChI=1S/C15H17NO4/c1-15(2,19)12-7-10-13(18)9-6-8(17)4-5-11(9)16(3)14(10)20-12/h4-6,12,17,19H,7H2,1-3H3
HMDB33344	Mollicellin H	CC(C)=CCC1=C(C)C2=C(OC3=C(C(C)=CC(O)=C3C=O)C(=O)O2)C=C1O	InChI=1S/C21H20O6/c1-10(2)5-6-13-12(4)19-17(8-16(13)24)26-20-14(9-22)15(23)7-11(3)18(20)21(25)27-19/h5,7-9,23-24H,6H2,1-4H3
HMDB33347	Lotusine	COC1=CC2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1O	InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-18(22)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1
HMDB33346	Ribalinium	COC1=C2CC(OC2=[N+](C)C2=C1C=C(O)C=C2)C(C)(C)O	InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1
HMDB33349	Casimiroin	COC1=CC(=O)N(C)C2=C1C=CC1=C2OCO1	InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3
HMDB33348	Rutalinium	COC1=C2CC(O)C(C)(C)OC2=[N+](C)C2=C1C=C(O)C=C2	InChI=1S/C16H19NO4/c1-16(2)13(19)8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-16/h5-7,13,19H,8H2,1-4H3/p+1
HMDB02639	Sulfolithocholylglycine	C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)OS(O)(=O)=O	InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17?,18+,19?,20?,21?,22?,25+,26-/m1/s1
HMDB46767	TG(22:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,42,45,62H,4-16,19,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,45-42-
HMDB46766	TG(22:0/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,37,63H,4-16,18-19,22-23,25,27-28,31-36,38-62H2,1-3H3/b20-17-,24-21-,29-26-,37-30-
HMDB46765	TG(22:0/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,68H,4-17,19-20,22-24,26,29,31-67H2,1-3H3/b21-18-,28-25-,30-27-
HMDB46764	TG(22:0/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,66H,4-17,19-20,22-24,26,29,31-65H2,1-3H3/b21-18-,28-25-,30-27-
HMDB46763	TG(22:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,41,47,50,64H,4-16,18-19,21-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,50-47-
HMDB46762	TG(22:0/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,64H,4-16,18-19,21-25,28,31-63H2,1-3H3/b20-17-,29-26-,30-27-
HMDB46761	TG(22:0/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,36,62H,4-16,18-19,21-25,28,30-35,37-61H2,1-3H3/b20-17-,29-26-,36-27-
HMDB46760	TG(22:0/22:2(13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,62H,4-16,18-19,22-23,25,27-28,30-61H2,1-3H3/b20-17-,24-21-,29-26-
HMDB46769	TG(22:0/22:2(13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,41,64H,4-16,19,22-25,28,31-37,39-40,42-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-
HMDB46768	TG(22:0/22:2(13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,63H,4-14,16,19,21-23,25,28,30-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-
HMDB31277	erythro-8,10-Hentriacontanediol	CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC	InChI=1S/C31H64O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-31(33)29-30(32)27-25-23-8-6-4-2/h30-33H,3-29H2,1-2H3
HMDB31276	erythro-8,10-Tritriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC	InChI=1S/C33H68O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-33(35)31-32(34)29-27-25-8-6-4-2/h32-35H,3-31H2,1-2H3
HMDB31275	erythro-8,10-Pentatriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC	InChI=1S/C35H72O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-35(37)33-34(36)31-29-27-8-6-4-2/h34-37H,3-33H2,1-2H3
HMDB31274	1,3,4-Trigalloyl-beta-D-glucopyranose	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)21(38)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2
HMDB31273	Methyl octynecarboxylate	CCCCCCC#CC(=O)OC	InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
HMDB31272	2-Nonenoic acid, 9CI, 8CI; (E)-form, Et ester	CCCCCC\C=C/C(=O)OCC	InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h9-10H,3-8H2,1-2H3/b10-9-
HMDB31271	2-Nonenoic acid	CCCCCC\C=C/C(O)=O	InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7-
HMDB31270	1-Nonene	CCCCCCCC=C	InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
HMDB44615	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,40-37-,49-46-
HMDB44614	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,38-35-,47-44-
HMDB44617	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,44-41-,53-50-
HMDB44616	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,42-39-,51-48-
HMDB44611	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,47,50,60H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-
HMDB44610	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,60H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB31279	Margrapine B	COC1=C(OC)C2=C(C=C1)C(=O)C1=C(N2C)C(C(O)C2OC2(C)C)=C(OC)C=C1O	InChI=1S/C22H25NO7/c1-22(2)21(30-22)19(26)15-13(28-5)9-11(24)14-17(15)23(3)16-10(18(14)25)7-8-12(27-4)20(16)29-6/h7-9,19,21,24,26H,1-6H3
HMDB31278	erythro-8,10-Heptacosanediol	CCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC	InChI=1S/C27H56O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27(29)25-26(28)23-21-19-8-6-4-2/h26-29H,3-25H2,1-2H3
HMDB59470	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,67,69,71,73,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-53,56,60,62-66,68,70,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB47828	TG(14:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,38,41,54H,4-14,17,20-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,41-38-
HMDB57636	CL(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38,40,42,50,54,75-77,82H,5-20,22-24,26,29-30,35,37,39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,36-33-,38-34-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB33697	Melilotocarpan C	COC1=CC=C2C3OC4=C(C=CC(OC)=C4OC)C3COC2=C1O	InChI=1S/C18H18O6/c1-20-12-6-5-10-15-11(8-23-16(10)14(12)19)9-4-7-13(21-2)18(22-3)17(9)24-15/h4-7,11,15,19H,8H2,1-3H3
HMDB33696	beta-Solanine	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3
HMDB33695	Poppy acid	OC(=O)C1=CC(=O)C(O)=C(O1)C(O)=O	InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)
HMDB33694	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 9CI; (E)-form, [b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranosyl] ester	OCC1(O)COC(OCC2OC(OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C1O	InChI=1S/C20H26O13/c21-7-20(29)8-31-19(17(20)28)30-6-12-14(25)15(26)16(27)18(32-12)33-13(24)4-2-9-1-3-10(22)11(23)5-9/h1-5,12,14-19,21-23,25-29H,6-8H2/b4-2+
HMDB33693	Falcarinone	CCCCCCC\C=C\CC#CC#CC(=O)C=C	InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10+
HMDB33692	Melilotocarpan D	COC1=CC=C2C3OC4=C(C=CC(OC)=C4O)C3COC2=C1O	InChI=1S/C17H16O6/c1-20-11-6-4-9-15-10(7-22-16(9)13(11)18)8-3-5-12(21-2)14(19)17(8)23-15/h3-6,10,15,18-19H,7H2,1-2H3
HMDB33691	2'-Hydroxy-4',6'-dimethoxychalcone	COC1=CC(OC)=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=C1	InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+
HMDB33690	Withaphysacarpin	CC1CC(OC(=O)C1C)C(C)(O)C1C(O)CC2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H40O7/c1-13-10-21(34-24(32)14(13)2)27(5,33)23-18(29)12-17-15-11-22-28(35-22)20(31)7-6-19(30)26(28,4)16(15)8-9-25(17,23)3/h6-7,13-18,20-23,29,31,33H,8-12H2,1-5H3
HMDB41263	6''-O-Malonyldaidzin	OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C1O	InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)
HMDB41262	Cyanidin 3-O-[b-D-Xylopyranosyl-(1-&gt;2)-(4-hydroxy-Z-cinnamoyl)-(-&gt;6)-b-D-glucopyranoside] 5-glucoside	OCC1OC(OC2=C3C=C(OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/p+1
HMDB41261	Cyanidin 3-(6''-p-coumarylsambubioside)	OC1COC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC=C(O)C=C3)OC2OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/p+1
HMDB41260	3,3',4',5,7-Pentahydroxyflavan(4-&gt;8)-3,3',4',5,7-pentahydroxyflavan; (2S,2'S,3S,3'S,4S)-form, 3,3'-Bis(3,4,5-trihydroxybenzoyl)	OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC=C(O)C(O)=C1)C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2
HMDB41267	Quercetin 3-(6''-sinapoylsophorotrioside)	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(OC4C(OC5=C(OC6=CC(O)=CC(O)=C6C5=O)C5=CC=C(O)C(O)=C5)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C44H50O26/c1-61-22-7-15(8-23(62-2)29(22)52)3-6-27(51)63-14-26-32(55)34(57)37(60)42(67-26)69-40-35(58)30(53)25(13-46)66-44(40)70-41-36(59)31(54)24(12-45)65-43(41)68-39-33(56)28-20(50)10-17(47)11-21(28)64-38(39)16-4-5-18(48)19(49)9-16/h3-11,24-26,30-32,34-37,40-50,52-55,57-60H,12-14H2,1-2H3/b6-3+
HMDB41266	Quercetin 3-(6''-caffeoylsophorotrioside)	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C42H46O25/c43-11-23-29(53)34(58)39(41(62-23)65-37-31(55)27-21(50)9-16(45)10-22(27)61-36(37)15-3-5-18(47)20(49)8-15)67-42-38(33(57)28(52)24(12-44)63-42)66-40-35(59)32(56)30(54)25(64-40)13-60-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+
HMDB33699	Linamarin	CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N	InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
HMDB33698	3-Hydroxy-2-butanone, 9CI, 8CI; ()-form, Ac	CC(OC(C)=O)C(C)=O	InChI=1S/C6H10O3/c1-4(7)5(2)9-6(3)8/h5H,1-3H3
HMDB57638	CL(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-37,40-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,38-39,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,40-35-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB42514	TG(14:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,26,28,51H,4-18,20-21,23-25,27,29-50H2,1-3H3/b22-19-,28-26-
HMDB42515	TG(14:0/18:2(9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,27,29,53H,4-19,21-22,24-26,28,30-52H2,1-3H3/b23-20-,29-27-
HMDB42516	TG(14:0/18:2(9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h20,23,27,31,55H,4-19,21-22,24-26,28-30,32-54H2,1-3H3/b23-20-,31-27-
HMDB42517	TG(14:0/18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-27-25-23-20-17-14-11-8-5-2/h20,23,27,33,57H,4-19,21-22,24-26,28-32,34-56H2,1-3H3/b23-20-,33-27-
HMDB42510	TG(14:0/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h24,26,57H,4-23,25,27-56H2,1-3H3/b26-24-
HMDB42511	TG(14:0/18:2(9Z,12Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2)46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3/h19,22,24-25,47H,4-18,20-21,23,26-46H2,1-3H3/b22-19-,25-24-
HMDB42512	TG(14:0/18:2(9Z,12Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h19,22,25-26,48H,4-18,20-21,23-24,27-47H2,1-3H3/b22-19-,26-25-
HMDB42513	TG(14:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19,22,25-26,49H,4-18,20-21,23-24,27-48H2,1-3H3/b22-19-,26-25-
HMDB42518	TG(14:0/18:2(9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2)46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3/h14,17,19,22,24-25,47H,4-13,15-16,18,20-21,23,26-46H2,1-3H3/b17-14-,22-19-,25-24-
HMDB42519	TG(14:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19-20,22-23,25-26,49H,4-18,21,24,27-48H2,1-3H3/b22-19-,23-20-,26-25-
HMDB39062	Triphasiol	CC(C)C(=O)CC1=C(OCC(O)C(C)(C)O)C=CC2=C1OC(=O)C=C2	InChI=1S/C19H24O6/c1-11(2)14(20)9-13-15(24-10-16(21)19(3,4)23)7-5-12-6-8-17(22)25-18(12)13/h5-8,11,16,21,23H,9-10H2,1-4H3
HMDB39063	7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one	C\C(CCC(O)C(C)=C)=C/COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+
HMDB39060	(S)-Neomammein	CCCC1=CC(=O)OC2=C(C(=O)C(C)CC)C(O)=C(CC=C(C)C)C(O)=C12	InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3
HMDB39061	Marmin; (R)-form, 6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)	CC(C)=CCC\C(C)=C\COC1=CC=C(\C=C\C(=O)OC(CC\C(C)=C\COC2=CC=C3C=CC(=O)OC3=C2)C(C)(C)O)C(O)=C1	InChI=1S/C38H46O8/c1-26(2)8-7-9-27(3)20-22-43-31-15-11-29(33(39)24-31)13-18-37(41)46-35(38(5,6)42)17-10-28(4)21-23-44-32-16-12-30-14-19-36(40)45-34(30)25-32/h8,11-16,18-21,24-25,35,39,42H,7,9-10,17,22-23H2,1-6H3/b18-13+,27-20+,28-21+
HMDB39066	6',7'-Dihydroxybergamottin	C\C(CCC(O)C(C)(C)O)=C\COC1=C2C=CC(=O)OC2=CC2=C1C=CO2	InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8-
HMDB39067	Bergamottin; 6'R,7'-Epoxide	C\C(CCC1OC1(C)C)=C\COC1=C2C=CC(=O)OC2=CC2=C1C=CO2	InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8-
HMDB39064	Pectachol	COC1=CC2=C(OC(=O)C=C2)C(OC)=C1OCC1C(=C)CCC2C(C)(C)C(O)CCC12C	InChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3
HMDB39065	(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone	CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1	InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3
HMDB39068	Byakangelicin; (R)-form, 2'-O-(3-Methylbutanoyl)	COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)CC(C)C)C(C)(C)O)C2=C1C=CO2	InChI=1S/C22H26O8/c1-12(2)10-17(24)29-15(22(3,4)25)11-28-21-19-14(8-9-27-19)18(26-5)13-6-7-16(23)30-20(13)21/h6-9,12,15,25H,10-11H2,1-5H3
HMDB39069	Byakangelicin; (R)-form, 3'-O-b-D-Glucopyranoside	COC1=C2C=CC(=O)OC2=C(OCC(O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C2=C1C=CO2	InChI=1S/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-21-19-11(6-7-31-19)18(30-3)10-4-5-14(26)34-20(10)21/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3
HMDB30586	(3S,3'R,4xi)-beta,beta-Carotene-3,3',4-triol	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(O)C(O)CC1(C)C	InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+
HMDB30587	Spinacetin	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O	InChI=1S/C17H14O8/c1-23-10-5-7(3-4-8(10)18)16-15(22)13(20)12-11(25-16)6-9(19)17(24-2)14(12)21/h3-6,18-19,21-22H,1-2H3
HMDB30584	Silidianin	COC1=CC(=CC=C1O)C1C2COC3(O)C2C(CC1C3=O)C1OC2=C(C(O)=CC(O)=C2)C(=O)C1O	InChI=1S/C25H24O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-6,11-13,18,20,22-23,26-28,30,32H,7-8H2,1H3
HMDB30585	Silymonin	COC1=CC(=CC=C1O)C1C2COC3(O)C2C(CC1C3=O)C1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C25H24O9/c1-32-19-4-10(2-3-15(19)27)21-13-7-12(23-14(21)9-33-25(23,31)24(13)30)18-8-17(29)22-16(28)5-11(26)6-20(22)34-18/h2-6,12-14,18,21,23,26-28,31H,7-9H2,1H3
HMDB30582	Dillapional	COC1=C2OCOC2=CC(\C=C/C=O)=C1OC	InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3-
HMDB30583	Silibinin	COC1=CC(=CC=C1O)C1OC2=CC(=CC=C2OC1CO)C1OC2=CC(O)=CC(O)=C2C(=O)C1O	InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
HMDB30580	(R)-Shinanolone	CC1=CC2=C(C(=O)CCC2O)C(O)=C1	InChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3
HMDB30581	Perillanin	OCC1OC(OC2=C3C=C(OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1
HMDB30588	Sterigmatocystin	COC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2	InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3
HMDB30589	O-Methylsterigmatocystin	COC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2	InChI=1S/C19H14O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-9,19H,1-2H3
HMDB32566	Hexachlorobenzene	ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
HMDB32567	Hexylresorcinol	CCCCCCC1=C(O)C=C(O)C=C1	InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
HMDB32564	1,3-Diphenylpropane	C(CC1=CC=CC=C1)CC1=CC=CC=C1	InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
HMDB32565	(4-Ethoxyphenyl)urea	CCOC1=CC=C(NC(N)=O)C=C1	InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
HMDB32562	Diphenylamine	N(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
HMDB32563	2,4-Diphenyl-1-butene	C=C(CCC1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2
HMDB32560	Dinoseb acetate	CCC(C)C1=C(OC(C)=O)C(=CC(=C1)N(=O)=O)N(=O)=O	InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3
HMDB32561	1,3-Diphenyl-2-propanone	O=C(CC1=CC=CC=C1)CC1=CC=CC=C1	InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
HMDB31185	1,2,4,5-Tetrathiane	C1SSCSS1	InChI=1S/C2H4S4/c1-3-5-2-6-4-1/h1-2H2
HMDB31184	N-Isobutyl-2,4,8,10,12-tetradecapentaenamide	C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C	InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
HMDB31187	Thialdine	CC1NC(C)SC(C)S1	InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3
HMDB31186	Dihydro-2,4,6-trimethyl-4H-1,3,5-dithiazine, 9CI; (2a,4a,6a)-form, N-Nitroso	CC1SC(C)N(N=O)C(C)S1	InChI=1S/C6H12N2OS2/c1-4-8(7-9)5(2)11-6(3)10-4/h4-6H,1-3H3
HMDB31181	Homodihydrojasmone	CCCCCCC1=C(C)CCC1=O	InChI=1S/C12H20O/c1-3-4-5-6-7-11-10(2)8-9-12(11)13/h3-9H2,1-2H3
HMDB31180	(E,E)-2,4-Hexadienedial	O=C\C=C\C=C/C=O	InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1-,4-2+
HMDB32568	2'-Hydroxyacetophenone	CC(=O)C1=C(O)C=CC=C1	InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
HMDB32569	2'-Methoxyacetophenone	COC1=C(C=CC=C1)C(C)=O	InChI=1S/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3
HMDB59239	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-10,12-14,16-20,24,29-31,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB30639	()-Tembamide	COC1=CC=C(C=C1)C(O)CNC(=O)C1=CC=CC=C1	InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)
HMDB58973	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,40,43-44,46,48-50,52,55,58-60,62,64,81-83,88H,5-20,24,28-32,39,41-42,45,47,51,53-54,56-57,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB30634	beta-Pyrufuran	COC1=C2OC3=C(C=CC=C3)C2=C(OC)C(OC)=C1O	InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)11(16)14(12)18-2/h4-7,16H,1-3H3
HMDB30635	alpha-Pyrufuran	COC1=C2OC3=C(C=CC=C3)C2=C(OC)C(O)=C1OC	InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)14(18-2)11(12)16/h4-7,16H,1-3H3
HMDB30636	Batatasin III	COC1=CC(O)=CC(CCC2=CC=CC(O)=C2)=C1	InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3
HMDB30637	Bergapten	COC1=C2C=CC(=O)OC2=CC2=C1C=CO2	InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
HMDB30630	Rubraflavone C	CC(C)=CCC\C(C)=C\CC1=C(OC2=CC(O)=C(CC=C(C)C)C(O)=C2C1=O)C1=C(O)C=C(O)C=C1	InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-13-23-29(35)27-26(16-25(33)21(28(27)34)12-9-18(3)4)36-30(23)22-14-11-20(31)15-24(22)32/h7,9-11,14-16,31-34H,6,8,12-13H2,1-5H3/b19-10+
HMDB30631	Rubraflavone D	CC(C)=CCC\C(C)=C/CC1=C(OC2=CC3=C(C=CC(C)(C)O3)C(O)=C2C1=O)C1=C(O)C=C(O)C=C1	InChI=1S/C30H32O6/c1-17(2)7-6-8-18(3)9-11-22-28(34)26-25(35-29(22)20-12-10-19(31)15-23(20)32)16-24-21(27(26)33)13-14-30(4,5)36-24/h7,9-10,12-16,31-33H,6,8,11H2,1-5H3/b18-9-
HMDB30632	Casuarinin	OC1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(O)C(O)=C(O)C=C1C(=O)OC2C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C(=C2)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C41H28O26/c42-12-1-7(2-13(43)24(12)48)37(58)64-16-6-63-38(59)11-3-8(22(46)32(56)23(11)47)17-9(4-14(44)25(49)27(17)51)39(60)65-34(16)36-35-31(55)21-20(41(62)66-35)19(29(53)33(57)30(21)54)18-10(40(61)67-36)5-15(45)26(50)28(18)52/h1-5,16,31,34-36,42-57H,6H2
HMDB30633	Castacrenin C	OCC(O)C(O)C(O)C1=CC2=C(C(=O)O1)C(=C(O)C(O)=C2O)C1=C2C(=O)OC3=C(O)C(O)=CC4=C3C2=C(OC4=O)C(O)=C1O	InChI=1S/C27H18O17/c28-3-7(30)16(32)18(34)8-2-4-10(26(40)42-8)11(19(35)21(37)15(4)31)12-14-13-9-5(25(39)43-24(13)22(38)20(12)36)1-6(29)17(33)23(9)44-27(14)41/h1-2,7,16,18,28-38H,3H2
HMDB08677	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,32,34,38,40,50H,6-13,15,17-19,24-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,34-32-,40-38-/t50-/m1/s1
HMDB08676	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,38,40,50H,6-13,15,17-19,21,23-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b16-14-,22-20-,28-26-,34-32-,40-38-/t50-/m1/s1
HMDB08675	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27,29-32,35-38,48H,6-8,10,12-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1
HMDB08674	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27,29-32,36,38,48H,6-8,10,12-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,38-36-/t48-/m1/s1
HMDB08673	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,29-32,35-38,48H,6-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1
HMDB08672	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,29-32,36,38,48H,6-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,38-36-/t48-/m1/s1
HMDB08671	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,29-32,35-38,48H,6-13,15,17-19,24,26,28,33-34,39-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1
HMDB08670	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27,30,32,36,38,48H,6-13,18-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,32-30-,38-36-/t48-/m1/s1
HMDB08679	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,38,40,50H,6-13,18-19,24-25,30-31,36-37,39,41-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-/t50-/m1/s1
HMDB08678	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,32,34,38,40,50H,6-13,18-19,24-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,34-32-,40-38-/t50-/m1/s1
HMDB58975	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61-62,66,83-85,90H,5-9,11-13,15-20,24,28-32,39-40,43,47-49,53,55,58-60,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-/t83?,84-,85-/m1/s1
HMDB55912	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,36,39,45,48,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-35,37-38,40-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,39-36-,48-45-
HMDB08589	PC(22:1(13Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,40,43,47H,6-19,24-39,41-42,44-46H2,1-5H3/b22-20-,23-21-,43-40-
HMDB08588	PC(22:1(13Z)/P-18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,40,43,47H,6-16,18,21,23-39,41-42,44-46H2,1-5H3/b19-17-,22-20-,43-40-
HMDB08585	PC(22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h20-23,52H,6-19,24-51H2,1-5H3/b22-20-,23-21-/t52-/m1/s1
HMDB08584	PC(22:1(13Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H106NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h21,23,52H,6-20,22,24-51H2,1-5H3/b23-21-/t52-/m1/s1
HMDB08587	PC(22:1(13Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20,22,40,43,47H,6-19,21,23-39,41-42,44-46H2,1-5H3/b22-20-,43-40-
HMDB08586	PC(22:1(13Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38-
HMDB08581	PC(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,39,41,50H,6-14,16,18-19,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1
HMDB08580	PC(22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,50H,6-14,16,18-19,24-26,28,30-32,34,36-49H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-/t50-/m1/s1
HMDB08583	PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,33,35,39,41,50H,6-8,10,12-14,16,18-19,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1
HMDB08582	PC(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,33,35,50H,6-8,10,12-14,16,18-19,24-26,28,30-32,34,36-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,35-33-/t50-/m1/s1
HMDB58974	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61-62,64,66,68,83-85,90H,5-20,24,28-32,39-40,43,47-49,53,55,58-60,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB35039	Phaseolus e	CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CC(OC3OC(CO)C(O)C(O)C3O)C1O)OC2=O	InChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32)
HMDB35038	Gibberellin A50	CC12C3C(C(O)=O)C45CC(CC(O)C4C3(CC(O)C1O)OC2=O)C(=C)C5	InChI=1S/C19H24O7/c1-7-4-18-5-8(7)3-9(20)12(18)19-6-10(21)14(22)17(2,16(25)26-19)13(19)11(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)
HMDB38009	Malvin	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1
HMDB38008	Malvidin 3-(6-acetylglucoside)	[H]OC1=C([H])C2=C(C([H])=C(OC3([H])OC([H])(C([H])([H])OC(=O)C([H])([H])[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]2)C2=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C2[H])C(O[H])=C1[H]	InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1
HMDB38003	Delphinidin 3-sambubioside	[H]OC1=C([H])C(O[H])=C2C([H])=C(OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])OC3([H])OC([H])([H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C(O[H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1
HMDB38002	Delphinidin 3-rhamnoside 5-glucoside	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(39-8)42-16-6-11-14(40-25(16)9-2-12(30)19(33)13(31)3-9)4-10(29)5-15(11)41-27-24(38)22(36)20(34)17(7-28)43-27/h2-6,8,17-18,20-24,26-28,32,34-38H,7H2,1H3,(H3-,29,30,31,33)/p+1
HMDB38001	Delphinidin 3-rutinoside	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1
HMDB38000	Awobanin	OCC1OC(OC2=C3C=C(OC4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)C(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1
HMDB38007	Delphinidin 3-sophoroside	OCC1OC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/p+1
HMDB38006	Delphinidin 3-gentiobioside	OCC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1
HMDB38005	xi-2-Hexyl-5-methyl-3(2H)-furanone	CCCCCCC1OC(C)=CC1=O	InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3
HMDB38004	Delphinidin 3-(acetylglucoside)	[H]OC1=C([H])C2=[O+]C(=C(O[C@]3([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2C(O[H])=C1[H])C1=C([H])C(O[H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1
HMDB58188	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,41-44,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58189	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB58184	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,40,42,44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB58185	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,47-48,50-52,54,59-60,62-64,66,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45-46,49,53,55-58,61,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB58186	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58187	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-20,23-24,29-30,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t84-,85-/m1/s1
HMDB58180	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,47-48,50-52,54,59-60,63-64,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45-46,49,53,55-58,61-62,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-/t83?,84-,85-/m1/s1
HMDB58181	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,65-66,70,85-87,92H,5-8,10-12,14-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-64,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,70-66-/t85?,86-,87-/m1/s1
HMDB58182	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,65,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-64,66-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-/t85?,86-,87-/m1/s1
HMDB58183	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB48427	TG(16:1(9Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,39,42,52H,4-15,17-18,21-22,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-,42-39-
HMDB09986	PIP(18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-20,37,40-45,48-51H,3-10,12,14-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,19-17-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09987	PIP(18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11-14,17-20,37,40-45,48-51H,3-10,15-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,14-12-,19-17-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09984	PIP(18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17,19,37,40-45,48-51H,3-10,12,14-16,18,20-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,19-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09985	PIP(18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13-14,16-17,19,37,40-45,48-51H,3-10,12,15,18,20-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,16-14-,19-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09982	PIP(18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COC[C@](O)([H])COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86O18P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(50)62-38-40(64-42(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-61-35-39(49)36-63-68(59,60)66-48-45(54)43(52)44(53)47(46(48)55)65-67(56,57)58/h12,14,17-20,24,26,39-40,43-49,52-55H,3-11,13,15-16,21-23,25,27-38H2,1-2H3,(H,59,60)(H2,56,57,58)/b14-12-,19-17-,20-18-,26-24-/t39-,40+,43?,44?,45?,46?,47-,48+/m1/s1
HMDB09983	PIP(18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h11,13,17-18,35,38-43,46-49H,3-10,12,14-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09980	PIP(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-19,21-22,24,28,30,39,42-47,50-53H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09981	PIP(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-19,21-22,24,39,42-47,50-53H,3-4,6,8-10,12,14-16,20,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09988	PIP(18:2(9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h12,14,18,21,39,42-47,50-53H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b14-12-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09989	PIP(18:2(9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H86O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h12,14,17-19,21,39,42-47,50-53H,3-11,13,15-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b14-12-,19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB34638	Phytolaccasaponin B	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H76O21/c1-43(41(61)63-6)11-13-48(42(62)69-40-36(60)33(57)30(54)25(18-50)66-40)14-12-46(4)21(22(48)15-43)7-8-28-44(2)16-23(52)37(45(3,20-51)27(44)9-10-47(28,46)5)68-38-34(58)31(55)26(19-64-38)67-39-35(59)32(56)29(53)24(17-49)65-39/h7,22-40,49-60H,8-20H2,1-6H3
HMDB34639	Esculentic acid (Phytolacca)	CC1(CO)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CCC3(CCC12C)C(O)=O)C(O)=O	InChI=1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)
HMDB34630	9-Hydroxy-4,10(14)-oplopadien-3-one; (4Z,9a)-form, 9-(3-Methyl-2-butenoyl)	C\C=C1\C2C(CC1=O)C(=C)C(CC2C(C)C)OC(=O)C=C(C)C	InChI=1S/C20H28O3/c1-7-14-17(21)9-16-13(6)18(23-19(22)8-11(2)3)10-15(12(4)5)20(14)16/h7-8,12,15-16,18,20H,6,9-10H2,1-5H3/b14-7+
HMDB34631	9-Hydroxy-4,10(14)-oplopadien-3-one; (4Z,9a)-form, 9-Angeloyl	C\C=C(\C)C(=O)OC1CC(C(C)C)C2C(CC(=O)\C2=C/C)C1=C	InChI=1S/C20H28O3/c1-7-12(5)20(22)23-18-10-15(11(3)4)19-14(8-2)17(21)9-16(19)13(18)6/h7-8,11,15-16,18-19H,6,9-10H2,1-5H3/b12-7-,14-8+
HMDB34632	9-Hydroxy-4,10(14)-oplopadien-3-one; (4E,9a)-form, 9-(3-Methyl-2E-pentenoyl)	CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(CC(=O)\C2=C\C)C1=C	InChI=1S/C21H30O3/c1-7-13(5)9-20(23)24-19-11-16(12(3)4)21-15(8-2)18(22)10-17(21)14(19)6/h8-9,12,16-17,19,21H,6-7,10-11H2,1-5H3/b13-9+,15-8-
HMDB34633	1-(3,4-Dihydroxyphenyl)-1,2-propanediol; 3-Chloro, 3'-Me ether	COC1=CC(=CC=C1O)C(O)C(O)CCl	InChI=1S/C10H13ClO4/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10,12-14H,5H2,1H3
HMDB34634	4',5,7-Trihydroxy-3'-prenylflavone; 7-O-[a-L-Rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(CC=C(C)C)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C32H38O14/c1-13(2)4-5-15-8-16(6-7-18(15)33)21-11-20(35)24-19(34)9-17(10-22(24)45-21)44-32-30(41)28(39)26(37)23(46-32)12-42-31-29(40)27(38)25(36)14(3)43-31/h4,6-11,14,23,25-34,36-41H,5,12H2,1-3H3
HMDB34635	Esculentoside E	CC1(CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O)C(O)=O	InChI=1S/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)
HMDB34636	Phytolaccasaponin G	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)
HMDB34637	Phytolaccoside E	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)
HMDB15257	Anisindione	COC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O	InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
HMDB15256	Tolbutamide	CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1	InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
HMDB15255	Proflavine	NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1	InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
HMDB15254	Ambenonium	CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl	InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2
HMDB15253	Phenacemide	NC(=O)NC(=O)CC1=CC=CC=C1	InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
HMDB15252	Gliclazide	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1	InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)
HMDB15251	Diazoxide	CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2	InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
HMDB15250	Amiodarone	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=CC=CC=C2O1	InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
HMDB15259	Econazole	ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1	InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
HMDB15258	Dutasteride	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F	InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1
HMDB29751	Naphthalene	C1=CC2=C(C=C1)C=CC=C2	InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
HMDB29750	Methyl 2-furoate	COC(=O)C1=CC=CO1	InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
HMDB29753	Furazolidone	O=C1OCCN1\N=C/C1=CC=C(O1)N(=O)=O	InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5-
HMDB29752	Dantron	OC1=CC=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O	InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
HMDB29755	3-Thiocyanato-1-propene	C=CCSC#N	InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2
HMDB29754	Procyanidin B1	[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])[C@]([H])(O[H])[C@@]2([H])C2=C3O[C@]([H])(C4=C([H])C([H])=C(O[H])C(O[H])=C4[H])[C@@]([H])(O[H])C([H])([H])C3=C(O[H])C([H])=C2O[H])=C1[H]	InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1
HMDB29757	4-Hydroxybenzeneacetonitrile	OC1=CC=C(CC#N)C=C1	InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
HMDB29756	(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole	CC(=O)C1=NC(=CN1)C(O)C(O)C(O)CO	InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)
HMDB29759	2-Acetylpyrrole; N-Et	CCN1C=CC=C1C(C)=O	InChI=1S/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3
HMDB29758	Herniarin	COC1=CC2=C(C=CC(=O)O2)C=C1	InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
HMDB39840	3-(1-Pyrrolidinyl)-2-butanone	CC(N1CCCC1)C(C)=O	InChI=1S/C8H15NO/c1-7(8(2)10)9-5-3-4-6-9/h7H,3-6H2,1-2H3
HMDB39841	2-Benzyl-4,5-dimethyl-1,3-dioxolane	CC1OC(CC2=CC=CC=C2)OC1C	InChI=1S/C12H16O2/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
HMDB39842	Butter acids	CC(C)(C1=C(Cl)C(Cl)=C(O)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(O)C(Cl)=C1Cl	InChI=1S/C15H8Cl8O2/c1-15(2,3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h24-25H,1-2H3
HMDB39843	S-Methyl 3-methylthiobutyrate	CSC(=O)CC(C)C	InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
HMDB39844	(E,E)-2,6-Octadienal	C\C=C\CC\C=C\C=O	InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3/b3-2+,7-6+
HMDB39845	3-Oxooctanoic acid glycerides	OCC(O)CO.CCCCCC(=O)CC([O-])=O	InChI=1S/C8H14O3.C3H8O3/c1-2-3-4-5-7(9)6-8(10)11;4-1-3(6)2-5/h2-6H2,1H3,(H,10,11);3-6H,1-2H2/p-1
HMDB39846	3-Oxodecanoic acid glycerides	OCC(O)CO.CCCCCCCC(=O)CC([O-])=O	InChI=1S/C10H18O3.C3H8O3/c1-2-3-4-5-6-7-9(11)8-10(12)13;4-1-3(6)2-5/h2-8H2,1H3,(H,12,13);3-6H,1-2H2/p-1
HMDB39847	3-Oxododecanoic acid glycerides	OCC(O)CO.CCCCCCCCCC(=O)CC([O-])=O	InChI=1S/C12H22O3.C3H8O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15;4-1-3(6)2-5/h2-10H2,1H3,(H,14,15);3-6H,1-2H2/p-1
HMDB39848	3-Oxotetradecanoic acid glycerides	OCC(O)CO.CCCCCCCCCCCC(=O)CC([O-])=O	InChI=1S/C14H26O3.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17;4-1-3(6)2-5/h2-12H2,1H3,(H,16,17);3-6H,1-2H2/p-1
HMDB39849	3-Oxohexadecanoic acid glycerides	OCC(O)CO.CCCCCCCCCCCCCC(=O)CC([O-])=O	InChI=1S/C16H30O3.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19;4-1-3(6)2-5/h2-14H2,1H3,(H,18,19);3-6H,1-2H2/p-1
HMDB49058	TG(16:1(9Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,27,29,54H,4-18,20,23,25-26,28,30-53H2,1-3H3/b22-19-,24-21-,29-27-
HMDB49059	TG(16:1(9Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,53H,4-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,24-21-,28-26-,37-34-
HMDB45179	TG(18:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,36,38-39,41,47,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-
HMDB45178	TG(18:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,36,38-39,41,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-
HMDB45177	TG(18:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42,45,58H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB45176	TG(18:0/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,58H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB45175	TG(18:0/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,32,35-36,39,56H,4-7,9-10,12-15,18,21-24,27,29,31,33-34,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-
HMDB45174	TG(18:0/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,32,35,56H,4-7,9-10,12-15,18,21-24,27,29,31,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,35-32-
HMDB45173	TG(18:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,36,38-39,41,47,50,60H,4-15,18,21-24,27,30,32,34-35,37,40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,50-47-
HMDB45172	TG(18:0/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,36,38-39,41,60H,4-15,18,21-24,27,30,32,34-35,37,40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-
HMDB45171	TG(18:0/20:3n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,36,39,60H,4-15,18,21-24,27,30-35,37-38,40-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-
HMDB45170	TG(18:0/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42,45,58H,4-15,18,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB49345	TG(18:1(11Z)/22:1(13Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,58H,4-19,22,26-27,29-57H2,1-3H3/b23-20-,24-21-,28-25-
HMDB31040	2-Heptadecanone	CCCCCCCCCCCCCCCC(C)=O	InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3
HMDB14618	Chlordiazepoxide	CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1	InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
HMDB14619	Duloxetine	CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1	InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
HMDB34033	Sabadelin	CCCCCCCCCCCCCCC1OC1CC\C=C/CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-13-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-11-10-12-15-18-21-24-27-32-30-31(2)37-35(32)36/h20,23,30-31,33-34H,3-19,21-22,24-29H2,1-2H3/b23-20-
HMDB14614	Montelukast	OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1	InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
HMDB14615	Fluoxetine	CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1	InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
HMDB14616	Hexylcaine	CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1	InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
HMDB14617	Methohexital	CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O	InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)
HMDB14610	Enoxacin	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1	InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
HMDB34030	Dulxanthone E	COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O2)C(OC)=C2OC(C)(C)C=CC2=C1OC	InChI=1S/C22H22O7/c1-22(2)10-9-12-16(25-4)14-15(23)11-7-8-13(24-3)19(26-5)17(11)28-20(14)21(27-6)18(12)29-22/h7-10H,1-6H3
HMDB14612	Tenoxicam	CN1\C(=C(/O)NC2=CC=CC=N2)C(=O)C2=C(C=CS2)S1(=O)=O	InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,18H,1H3,(H,14,15)/b13-10-
HMDB14613	Dronabinol	[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=CC(CCCCC)=CC(O)=C21	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
HMDB31043	16-Heptadecene-1,2,4-triol, 9CI; (2S,4S)-form, 1-Ac	CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C	InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h3,18-19,21-22H,1,4-16H2,2H3
HMDB49056	TG(16:1(9Z)/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,57H,4-20,22-23,26,28-56H2,1-3H3/b24-21-,27-25-
HMDB31044	16-Heptadecene-1,2,4-triol, 9CI; (2S,4S)-form, 2-Ac	CC(=O)OC(CO)CC(O)CCCCCCCCCCCC=C	InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h3,18-20,22H,1,4-16H2,2H3
HMDB49057	TG(16:1(9Z)/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-58-59(57-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,59H,4-20,22-23,26,28-58H2,1-3H3/b24-21-,27-25-
HMDB34037	Palmidin B	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O	InChI=1S/C30H22O7/c1-13-8-17-23(15-4-2-6-19(32)25(15)29(36)27(17)21(34)9-13)24-16-5-3-7-20(33)26(16)30(37)28-18(24)10-14(12-31)11-22(28)35/h2-11,23-24,31-35H,12H2,1H3
HMDB11554	MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h6-7,9-10,12-13,15-16,24,26-27H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
HMDB11555	MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H]C(CO)(CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h6-7,9-10,12-13,15-16,18-19,24,26-27H,2-5,8,11,14,17,20-23H2,1H3/b7-6-,10-9-,13-12-,16-15-,19-18-
HMDB11556	MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h3-4,6-7,9-10,12-13,15-16,24,26-27H,2,5,8,11,14,17-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
HMDB11557	MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H]C(CO)(CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h3-4,6-7,9-10,12-13,15-16,18-19,24,26-27H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
HMDB11550	MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h3-4,6-7,9-10,12-13,15-16,22,24-25H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
HMDB34034	Bikojic acid	OCC1=CC(=O)C(O)=C(O1)C1=C(O)C(=O)C=C(CO)O1	InChI=1S/C12H10O8/c13-3-5-1-7(15)9(17)11(19-5)12-10(18)8(16)2-6(4-14)20-12/h1-2,13-14,17-18H,3-4H2
HMDB11552	MG(0:0/22:1(13Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9-
HMDB11553	MG(0:0/22:2(13Z,16Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h6-7,9-10,24,26-27H,2-5,8,11-23H2,1H3/b7-6-,10-9-
HMDB34035	Sagecoumarin	OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC=C(OC2=CC3=C(OC2=O)C=C(O)C(O)=C3)C(O)=C1	InChI=1S/C27H20O12/c28-16-4-1-14(8-17(16)29)9-23(26(34)35)38-25(33)6-3-13-2-5-21(20(32)7-13)37-24-11-15-10-18(30)19(31)12-22(15)39-27(24)36/h1-8,10-12,23,28-32H,9H2,(H,34,35)/b6-3+
HMDB11558	MG(0:0/24:0/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-26(24-28)25-29/h26,28-29H,2-25H2,1H3
HMDB11559	MG(0:0/24:1(15Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-26(24-28)25-29/h9-10,26,28-29H,2-8,11-25H2,1H3/b10-9-
HMDB52635	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,28-29,31-32,57H,4-18,21,24-27,30,33-56H2,1-3H3/b22-19-,23-20-,31-28-,32-29-
HMDB52636	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18-23,27-32,38,41,56H,4-17,24-26,33-37,39-40,42-55H2,1-3H3/b21-18-,22-19-,23-20-,30-27-,31-28-,32-29-,41-38-
HMDB52637	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-22,26-31,35,37-38,40,55H,4-16,23-25,32-34,36,39,41-54H2,1-3H3/b20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-,40-37-
HMDB52630	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27-32,36,39,56H,4-8,10-11,13-17,24-26,33-35,37-38,40-55H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-,31-28-,32-29-,39-36-
HMDB52631	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-30,32-34,36,58H,4-6,8-9,11-15,17-18,22,26-27,31,35,37-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,33-30-,36-34-
HMDB52638	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h13,16,18,20-23,25,27,29-30,32,38,41,56H,4-12,14-15,17,19,24,26,28,31,33-37,39-40,42-55H2,1-3H3/b16-13-,21-18-,23-20-,25-22-,30-27-,32-29-,41-38-
HMDB28989	Phenylalanyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)
HMDB28988	Phenylalanyl-Alanine	CC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)
HMDB36098	Isoegomaketone	CC(C)\C=C\C(=O)C1=COC=C1	InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3-8H,1-2H3/b4-3+
HMDB36099	Lilac alcohol	CC(CO)C1CCC(C)(O1)C=C	InChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3
HMDB36092	exo-2-Methyl-3-methylenebicyclo[2.2.1]heptan-2-ol	CC1(O)C2CCC(C2)C1=C	InChI=1S/C9H14O/c1-6-7-3-4-8(5-7)9(6,2)10/h7-8,10H,1,3-5H2,2H3
HMDB36093	Abscisic acid	C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O	InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+
HMDB36090	(R)-2-Nitro-p-mentha-1,5-diene	[H][C@@]1(CC(=C(C)C=C1)N(=O)=O)C(C)C	InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9H,6H2,1-3H3/t9-/m1/s1
HMDB36091	exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol	CC1=C(C)C2CC1CC2O	InChI=1S/C9H14O/c1-5-6(2)8-3-7(5)4-9(8)10/h7-10H,3-4H2,1-2H3
HMDB36096	1,4-Cineole	CC(C)C12CCC(C)(CC1)O2	InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
HMDB36097	Rose oxide	CC1CCOC(C1)C=C(C)C	InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3
HMDB36094	Nigellic acid	C\C(\C=C\C1(O)C(CO)=CC(=O)CC1(C)C)=C/C(O)=O	InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+
HMDB36095	13-Hydroxyabscisic acid	C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)CO)=C/C(O)=O	InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+
HMDB44091	TG(16:0/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,32,38,41,54H,4-19,21-22,24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b23-20-,27-25-,32-30-,41-38-
HMDB44425	TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,35,38,56H,4-15,17-18,20-24,28,32-34,36-37,39-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,38-35-
HMDB07270	DG(18:3(6Z,9Z,12Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13,16-17,20-21,33,36H,3-9,14-15,18-19,22-32H2,1-2H3/b12-10-,13-11-,17-16-,21-20-/t33-/m0/s1
HMDB07271	DG(18:3(6Z,9Z,12Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,21-22,34,37H,3-10,12,14-16,19-20,23-33H2,1-2H3/b13-11-,18-17-,22-21-/t34-/m0/s1
HMDB42219	TG(14:0/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB42218	TG(14:0/22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,17,50H,4-13,15-16,18-49H2,1-3H3/b17-14-
HMDB13341	PC(o-14:0/16:0)	[H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C38H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-38(40)46-37(36-45-47(41,42)44-34-32-39(3,4)5)35-43-33-30-28-26-24-22-19-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1
HMDB13340	3-Hydroxy-9Z-octadecenoylcarnitine	CCCCCCCC\C=C/CCCCCC(O)CC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h12-13,22-23,27H,5-11,14-21H2,1-4H3/b13-12-/t22?,23-/m0/s1
HMDB07113	DG(16:0/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,37,40H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-/t37-/m0/s1
HMDB07112	DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,37,40H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3/b13-11-,18-17-,22-20-,28-26-/t37-/m0/s1
HMDB07111	DG(16:0/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,37,40H,3-10,12,14-16,19,21,23-36H2,1-2H3/b13-11-,18-17-,22-20-/t37-/m0/s1
HMDB07110	DG(16:0/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,37,40H,3-16,19,21,23-25,27,29-36H2,1-2H3/b18-17-,22-20-,28-26-/t37-/m0/s1
HMDB07117	DG(16:0/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42H,3-10,12,14-16,19-38H2,1-2H3/b13-11-,18-17-/t39-/m0/s1
HMDB10602	PG(18:0/18:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H83O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,43-44H,3-38H2,1-2H3,(H,47,48)/t39-,40+/m0/s1
HMDB07115	DG(16:0/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1
HMDB07114	DG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3/b7-5-,13-11-,18-17-,22-20-,28-26-/t37-/m0/s1
HMDB07119	DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,39,42H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b13-11-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1
HMDB07279	DG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23,25,37,40H,3-5,7,9-10,15-16,21-22,24,26-36H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t37-/m0/s1
HMDB42211	TG(14:0/22:0/14:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h50H,4-49H2,1-3H3
HMDB10609	PG(18:0/20:3(8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H81O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,41-42,45-46H,3-10,12,14-16,18,20-21,23,25-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,24-22-/t41-,42+/m0/s1
HMDB10608	PG(18:0/20:3(5Z,8Z,11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H81O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,41-42,45-46H,3-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b19-17-,24-22-,30-28-/t41-,42+/m0/s1
HMDB42210	TG(14:0/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB34708	4,8-Decadienoic acid, 9CI, 8CI; Me ester	COC(=O)CC\C=C/CC\C=C/C	InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b4-3-,8-7-
HMDB34709	BL IV	CC(=O)OC1=C(C2=CC=C(O)C=C2)C(OC(C)=O)=C(OC(C)=O)C2=C1OC1=CC(O)=C(O)C=C21	InChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3
HMDB56941	CL(18:0/16:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h27,31,34,37,73-75,80H,5-26,28-30,32-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,37-34-/t73?,74-,75-/m1/s1
HMDB56947	CL(18:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,43,50,54,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58704	CL(18:2(9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-42-38-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,43,49,53,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-42,44-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,43-39-,53-49-/t74?,75-,76-/m1/s1
HMDB58708	CL(18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-43,47,50,58,62,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1
HMDB00462	Allantoin	NC(=O)NC1NC(=O)NC1=O	InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
HMDB00460	7-Hydroxy-3-oxocholanoic acid	[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])CC(=O)CC[C@]12C	InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17?,18+,19+,20+,22+,23+,24-/m1/s1
HMDB34703	Fumonisin B2	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)
HMDB00466	3-Methylindole	CC1=CNC2=C1C=CC=C2	InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
HMDB00467	Nutriacholic acid	[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17?,18-,19-,22-,23-,24+/m0/s1
HMDB00464	Calcium	[Ca++]	InChI=1S/Ca/q+2
HMDB00468	Biopterin	C[C@H](O)[C@H](O)C1=NC2=C(NC(N)=NC2=O)N=C1	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1
HMDB00469	5-Hydroxymethyluracil	OCC1=CNC(=O)NC1=O	InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
HMDB11231	PC(P-16:0/24:1(15Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h20,22,40,43,47H,6-19,21,23-39,41-42,44-46H2,1-5H3/b22-20-,43-40-/t47-/m1/s1
HMDB11230	PC(P-16:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h40,43,47H,6-39,41-42,44-46H2,1-5H3/b43-40-
HMDB11237	PC(P-18:0/14:1(9Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,32,35,39H,6-12,14,16-31,33-34,36-38H2,1-5H3/b15-13-,35-32-/t39-/m1/s1
HMDB11236	PC(P-18:0/14:0)	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-/t39-/m1/s1
HMDB11239	PC(P-18:0/16:0)	CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-
HMDB11238	PC(P-18:0/15:0)	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C41H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h33,36,40H,6-32,34-35,37-39H2,1-5H3/b36-33-/t40-/m1/s1
HMDB42980	TG(15:0/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,51H,4-15,17-18,20-23,26,29,31-32,34-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-
HMDB59088	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)81-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,42,45-47,49-51,53,55,58,61-63,65,67,84-86,91H,5-20,24,29-31,36,41,43-44,48,52,54,56-57,59-60,64,66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,53-49-,55-51-,62-58-,65-61-,67-63-/t84?,85-,86-/m1/s1
HMDB42704	TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,31,33,37,40,58H,4-16,18-19,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b20-17-,26-24-,27-25-,33-31-,40-37-
HMDB53309	TG(20:2n6/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,29,55H,4-7,9-10,12,14-15,18-19,21,23-24,27-28,30-54H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,29-26-
HMDB53308	TG(20:2n6/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,31-32,37,40,46,49,59H,4-13,15,18,20-22,24,27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,40-37-,49-46-
HMDB53307	TG(20:2n6/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,31-32,37,40,59H,4-13,15,18,20-22,24,27,29-30,33-36,38-39,41-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,40-37-
HMDB53306	TG(20:2n6/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,59H,4-13,15,18,20-22,24,27,29-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-
HMDB53305	TG(20:2n6/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,35,41,44,57H,4-13,15,18,20-22,24,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,35-33-,44-41-
HMDB53304	TG(20:2n6/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,35,57H,4-13,15,18,20-22,24,27,29-32,34,36-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,35-33-
HMDB53303	TG(20:2n6/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-26,56H,4-12,15,18-21,24,27-55H2,1-3H3/b16-13-,17-14-,25-22-,26-23-
HMDB53302	TG(20:2n6/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-35-31-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,54H,4-12,14-15,17-21,23-24,26-53H2,1-3H3/b16-13-,25-22-
HMDB53301	TG(20:2n6/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,36,38,44,47,57H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-35,37,39-43,45-46,48-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,38-36-,47-44-
HMDB53300	TG(20:2n6/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,36,38,57H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-35,37,39-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,38-36-
HMDB50962	TG(20:3(5Z,8Z,11Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,35-36,39,45,48,61H,4-20,22-23,25,27-28,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b24-21-,29-26-,35-30-,39-36-,48-45-
HMDB50963	TG(20:3(5Z,8Z,11Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,38,40,43-44,47,60H,4-17,19-20,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b21-18-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB50960	TG(20:3(5Z,8Z,11Z)/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,38,41,47,50,64H,4-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,30-27-,41-38-,50-47-
HMDB50961	TG(20:3(5Z,8Z,11Z)/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,40,43,49,52,66H,4-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b28-25-,30-27-,43-40-,52-49-
HMDB50966	TG(20:3(5Z,8Z,11Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-16,18-19,21-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB50967	TG(20:3(5Z,8Z,11Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,38,41,47,50,64H,4-15,17-18,20-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,28-25-,30-27-,41-38-,50-47-
HMDB49258	TG(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,35,37,56H,4-6,8-9,11-15,17-18,22,26,28,31-34,36,38-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,37-35-
HMDB49259	TG(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,35,37,43,46,56H,4-6,8-9,11-15,17-18,22,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,37-35-,46-43-
HMDB49256	TG(18:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,33,54H,4-6,8-9,11-15,17-18,22,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,33-30-
HMDB49257	TG(18:1(11Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,30,33,38,41,54H,4-6,8-9,11-15,17-18,22,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,33-30-,41-38-
HMDB49254	TG(18:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,52H,4-6,8-9,11-15,17-18,22,26,28-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-
HMDB49255	TG(18:1(11Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,32,35,52H,4-6,8-9,11-15,17-18,22,26,28-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,35-32-
HMDB49252	TG(18:1(11Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,35,37,56H,4-15,17-18,22,26,28,31-34,36,38-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,37-35-
HMDB49253	TG(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,35,37,43,46,56H,4-15,17-18,22,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,37-35-,46-43-
HMDB49250	TG(18:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,33,38,41,54H,4-15,17-18,22,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,33-30-,41-38-
HMDB49251	TG(18:1(11Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,56H,4-15,17-18,22,26,28-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-
HMDB37184	()-1,4-Nonanediol diacetate	CCCCCC(CCCOC(C)=O)OC(C)=O	InChI=1S/C13H24O4/c1-4-5-6-8-13(17-12(3)15)9-7-10-16-11(2)14/h13H,4-10H2,1-3H3
HMDB56796	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-41,46,50,58,62,77-79,84H,5-20,22-24,26-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56795	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38-40,46,50,58,62,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56794	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB59087	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,41,44-46,48-50,52,54,57,60-62,64,66,83-85,90H,5-20,24,28-32,40,42-43,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB56793	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-37,40-43,49-50,53-54,61,65,81-83,88H,5-9,11-13,15-20,23-24,28-30,32,35,38-39,44-48,51-52,55-60,62-64,66-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-/t81?,82-,83-/m1/s1
HMDB56792	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-20,23-24,28-30,32,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB56791	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,41,46,50,58,62,77-79,84H,5-20,22-24,27-29,31-32,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56790	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,28-29,32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB06048	Bolasterone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CC(=O)CC[C@]12C	InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1
HMDB06049	O-Phosphotyrosine	N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O	InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
HMDB49872	TG(18:1(9Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,37,56H,4-15,17-18,20,22-23,28,32-34,36,38-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,37-35-
HMDB49873	TG(18:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,37,43,46,56H,4-15,17-18,20,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-
HMDB06040	N2-Methylguanine	CNC1=NC(=O)C2=C(N1)N=CN2	InChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12)
HMDB49871	TG(18:1(9Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,31,56H,4-15,17-18,20,22-23,28-30,32-55H2,1-3H3/b19-16-,24-21-,27-25-,31-26-
HMDB06046	5a-Androst-3-en-17-one	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C=CCC[C@]12C	InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
HMDB49877	TG(18:1(9Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-30,33,38,41,54H,4-6,8-9,11-15,17-18,20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,29-26-,33-30-,41-38-
HMDB06044	Norsalsolinol	OC1=C(O)C=C2CNCCC2=C1	InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2
HMDB06045	Dityrosine	NC(CC1=CC(O)=C(C=C1)C1=CC=C(CC(N)C(O)=O)C=C1O)C(O)=O	InChI=1S/C18H20N2O6/c19-13(17(23)24)5-9-1-3-11(15(21)7-9)12-4-2-10(8-16(12)22)6-14(20)18(25)26/h1-4,7-8,13-14,21-22H,5-6,19-20H2,(H,23,24)(H,25,26)
HMDB59085	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)78-98-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,40,43-44,46,48-50,52,55,58-60,62,64,81-83,88H,5-20,24,29-31,39,41-42,45,47,51,53-54,56-57,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB50629	TG(20:1(11Z)/20:2n6/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,23-28,58H,4-13,16,19-22,29-57H2,1-3H3/b17-14-,18-15-,26-23-,27-24-,28-25-
HMDB50628	TG(20:1(11Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,31,37,40,57H,4-13,15-16,19-20,22,24,29-30,32-36,38-39,41-56H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,31-27-,40-37-
HMDB30038	Euglobal V	CC(C)CC1C2=C(OC34CCC1(C)C3C1C(CCC4C)C1(C)C)C(C=O)=C(O)C(C=O)=C2O	InChI=1S/C28H38O5/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)33-28-10-9-27(19,6)25(28)21-18(26(21,4)5)8-7-15(28)3/h12-15,18-19,21,25,31-32H,7-11H2,1-6H3
HMDB30039	Jasmolone	CC\C=C\CC1=C(C)C(O)CC1=O	InChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3/b5-4+
HMDB30036	Euglobal IIc	CC(C)CC(=O)C1=C(O)C2=C(OC3(C)C=CC(CC3C2)C(C)C)C(C=O)=C1O	InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6-7,11-15,26-27H,8-10H2,1-5H3
HMDB30037	Euglobal VII	CC(C)CC(=O)C1=C(O)C2=C(OC3C4C(CC\C(C)=C/CCC3(C)C2)C4(C)C)C(C=O)=C1O	InChI=1S/C28H38O5/c1-15(2)12-20(30)21-23(31)17-13-28(6)11-7-8-16(3)9-10-19-22(27(19,4)5)26(28)33-25(17)18(14-29)24(21)32/h8,14-15,19,22,26,31-32H,7,9-13H2,1-6H3/b16-8-
HMDB30034	Euglobal IIb	CC(C)CC1CC2(CCC(C=C2)C(C)C)OC2=C1C(O)=C(C=O)C(O)=C2C=O	InChI=1S/C23H30O5/c1-13(2)9-16-10-23(7-5-15(6-8-23)14(3)4)28-22-18(12-25)20(26)17(11-24)21(27)19(16)22/h5,7,11-16,26-27H,6,8-10H2,1-4H3
HMDB30035	Euglobal IVa	CC(C)CC1C2C3C(CC\C(C)=C/CCC2(C)OC2=C1C(O)=C(C=O)C(O)=C2C=O)C3(C)C	InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8-
HMDB30032	Euglobal Ia1	CC(C)CC1C2CC(C=CC2(C)OC2=C1C(O)=C(C=O)C(O)=C2C=O)C(C)C	InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3
HMDB30033	Euglobal Ib	CC(C)CC1CC2(CCC3(CC23)C(C)C)OC2=C1C(O)=C(C=O)C(O)=C2C=O	InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3
HMDB30030	(R)-Sulcatol	CC(O)CCC=C(C)C	InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
HMDB30031	6-Methyl-5-hepten-2-ol, 9CI; ()-form, Ac	CC(CCC=C(C)C)OC(C)=O	InChI=1S/C10H18O2/c1-8(2)6-5-7-9(3)12-10(4)11/h6,9H,5,7H2,1-4H3
HMDB55262	TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-32,34,38,41,56H,4-6,9,12-15,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-
HMDB55263	TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-32,34,38,40-41,43,56H,4-6,9,12-15,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB50621	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,41-42,45,47,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-
HMDB50620	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,38,41-42,45,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-
HMDB50087	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB40398	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid; (1a,3b,22R,24E)-form, 3-O-b-D-Glucopyranoside, 26-O-b-D-glucopyranosyl ester	CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C40H64O15/c1-17(18(2)36(51)55-38-35(50)33(48)31(46)28(16-42)54-38)12-26(43)19(3)23-8-9-24-22-7-6-20-13-21(52-37-34(49)32(47)30(45)27(15-41)53-37)14-29(44)40(20,5)25(22)10-11-39(23,24)4/h6,19,21-35,37-38,41-50H,7-16H2,1-5H3/b18-17-
HMDB40399	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid; (1a,3b,22R,24E)-form, 3-O-b-D-Glucopyranoside, 26-O-[b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranosyl] ester	CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C46H74O20/c1-18(19(2)41(60)66-44-40(37(57)34(54)30(17-49)64-44)65-43-39(59)36(56)33(53)29(16-48)63-43)12-27(50)20(3)24-8-9-25-23-7-6-21-13-22(61-42-38(58)35(55)32(52)28(15-47)62-42)14-31(51)46(21,5)26(23)10-11-45(24,25)4/h6,20,22-40,42-44,47-59H,7-17H2,1-5H3/b19-18-
HMDB56478	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56479	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,26-27,29-31,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB40390	Erinacine B	CC(C)C1=C2C3CC=C(C=O)C4OC5C(O)C(O)COC5OC4C3(C)CCC2(C)CC1	InChI=1S/C25H36O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,11,13,16-17,19-23,27-28H,6-10,12H2,1-4H3
HMDB40391	16beta-Hydroxystellatogenin	CC(C)(O)C1C2CC3(C1C1CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC3O)C(=O)O2	InChI=1S/C30H48O5/c1-25(2)18-10-13-28(6)19(27(18,5)12-11-20(25)31)9-8-16-22-23(26(3,4)34)17-14-30(22,24(33)35-17)21(32)15-29(16,28)7/h16-23,31-32,34H,8-15H2,1-7H3
HMDB40392	Isopropyl tetradecanoate	CCCCCCCCCCCCCC(=O)OC(C)C	InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
HMDB56471	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33-35,37-39,43,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-43-/t75?,76-,77-/m1/s1
HMDB56476	CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56477	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,26-32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB40396	Almora	[Mg++].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O	InChI=1S/2C6H12O7.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
HMDB40397	(-)-Bornyl acetate	CC(=O)OC1CC2CCC1(C)C2(C)C	InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
HMDB03178	Heme	CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5C(C=C)=C(C)C6=[N]5[Fe++]5(N2C1=CC1=[N]5C(=C6)C(C=C)=C1C)N34	InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+4/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
HMDB03175	15-Keto-prostaglandin E2	CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
HMDB55269	TG(18:3(9Z,12Z,15Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,35,57H,4-6,8,11,13,15,20,22,24,29-30,32,34,36-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-
HMDB03173	Petunidin	[Cl-].COC1=CC(=CC(O)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O	InChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H
HMDB43508	TG(15:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34-36,38,57H,4-6,8-9,11-15,18,21-24,29,31,33,37,39-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-
HMDB57001	CL(18:0/18:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C80H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,28-29,32,36,39,74-76,81H,5-24,26-27,30-31,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB43509	TG(15:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34-36,38,44,47,57H,4-6,8-9,11-15,18,21-24,29,31,33,37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,47-44-
HMDB31848	Butylated hydroxyanisole	COC1=CC(=C(O)C=C1)C(C)(C)C.COC1=C(C=C(O)C=C1)C(C)(C)C	InChI=1S/2C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-11(2,3)9-7-8(12)5-6-10(9)13-4/h2*5-7,12H,1-4H3
HMDB31849	2-Ethylpyrazine	CCC1=CN=CC=N1	InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
HMDB41449	[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde	CC(CCOCC=O)CCC=C(C)C	InChI=1S/C12H22O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,8,12H,4,6-7,9-10H2,1-3H3
HMDB41448	Dicyclohexyl disulfide	C1CCC(CC1)SSC1CCCCC1	InChI=1S/C12H22S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h11-12H,1-10H2
HMDB31840	Lyratol; (S,E)-form, Ac	CC(=O)OC\C(C)=C\C(C=C)C(C)=C	InChI=1S/C12H18O2/c1-6-12(9(2)3)7-10(4)8-14-11(5)13/h6-7,12H,1-2,8H2,3-5H3/b10-7+
HMDB31841	2,5-Dimethyl-3-propylpyrazine	CCCC1=C(C)N=CC(C)=N1	InChI=1S/C9H14N2/c1-4-5-9-8(3)10-6-7(2)11-9/h6H,4-5H2,1-3H3
HMDB31842	Rhapontigenin	COC1=CC=C(\C=C/C2=CC(O)=CC(O)=C2)C=C1O	InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2-
HMDB31843	2,3-Undecanedione	CCCCCCCCC(=O)C(C)=O	InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(13)10(2)12/h3-9H2,1-2H3
HMDB31844	Trimethylpyrazine	CC1=CN=C(C)C(C)=N1	InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
HMDB31845	3-Propylidene-1(3H)-isobenzofuranone	CC\C=C1\OC(=O)C2=CC=CC=C12	InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5+
HMDB31846	Geranylacetone	CC(C)=CCC\C(C)=C/CCC(C)=O	InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9-
HMDB31847	2-Ethyl-3,4-dihydroxyfuran	CCC1OCC(=O)C1=O.CCC1=C(O)C(=O)CO1	InChI=1S/2C6H8O3/c2*1-2-5-6(8)4(7)3-9-5/h8H,2-3H2,1H3;5H,2-3H2,1H3
HMDB50140	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-33,37,40,59H,4-15,17-18,20-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,33-27-,40-37-
HMDB50141	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-28,30-33,37,40,46,49,58H,4-15,17-18,20-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-
HMDB50142	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,39,42,48,51,60H,4-15,17-18,20-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-
HMDB50143	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-15,17-18,20-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB50144	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,33,35-36,41,44,50,53,62H,4-16,18-19,21-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB50145	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,37-38,43,46,52,55,64H,4-16,18-19,21-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-
HMDB50146	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-34,38,41,47,50,59H,4-15,17-18,21-22,24,26,30,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,50-47-
HMDB50147	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-33,37-38,40-41,46,49,58H,4-15,18,21-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-
HMDB50148	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31-33,38,41,47,50,59H,4-13,15,18,20-22,24,29-30,34-37,39-40,42-46,48-49,51-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,41-38-,50-47-
HMDB50149	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,38-39,42,48,51,60H,4-15,18,21-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-
HMDB48390	TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,42,45,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-,45-42-
HMDB48391	TG(14:1(9Z)/o-18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H92O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-47(45-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2)46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3/h14-15,17-18,47H,4-13,16,19-46H2,1-3H3/b17-14-,18-15-
HMDB48392	TG(14:1(9Z)/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H96O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)48-56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18,20,23,49H,4-14,16-17,19,21-22,24-48H2,1-3H3/b18-15-,23-20-
HMDB48393	TG(14:1(9Z)/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,51H,4-14,16-17,19,21-22,24-50H2,1-3H3/b18-15-,23-20-
HMDB48394	TG(14:1(9Z)/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,51H,4-14,16-17,19-24,26,28-50H2,1-3H3/b18-15-,27-25-
HMDB48395	TG(14:1(9Z)/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,53H,4-14,16-17,19-23,25,27-52H2,1-3H3/b18-15-,26-24-
HMDB48396	TG(14:1(9Z)/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,53H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,26-24-,31-29-,40-37-
HMDB03828	D-Pantethine	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO	InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1
HMDB48398	TG(14:1(9Z)/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,57H,4-14,16-17,19-23,25,27-56H2,1-3H3/b18-15-,26-24-
HMDB03826	6,7-Dimethyl-8-(1-D-ribityl)lumazine	CC1=C(C)N(CC(O)C(O)C(O)CO)C2=NC(=O)NC(=O)C2=N1	InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)
HMDB03822	Cholesteryl acetate	CC(C)CCC[C@@H](C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O	InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1
HMDB48646	TG(16:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,34,37,56H,4-15,17-18,20,22-23,28,32-33,35-36,38-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,37-34-
HMDB48647	TG(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,34,37,43,46,56H,4-15,17-18,20,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB48645	TG(16:1(9Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,31,56H,4-15,17-18,20,22-23,28-30,32-55H2,1-3H3/b19-16-,24-21-,27-25-,31-26-
HMDB48642	TG(16:1(9Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-26,28,53H,4-12,14-15,17-20,23,27,29-52H2,1-3H3/b16-13-,24-21-,25-22-,28-26-
HMDB48643	TG(16:1(9Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,32,54H,4-15,17-18,20,22-23,28,31,33-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,32-30-
HMDB48641	TG(16:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,33,36,52H,4-15,17-18,20,22-23,29-32,34-35,37-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,36-33-
HMDB48648	TG(16:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,52H,4-6,8-9,11-15,17-18,20,22-23,29-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-
HMDB48649	TG(16:1(9Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,33,36,52H,4-6,8-9,11-15,17-18,20,22-23,29-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,36-33-
HMDB32306	4-Heptenal diethyl acetal	CCOC(=O)C(C)C(=O)C(=O)OCC	InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3
HMDB32307	Hept-trans-2-en-1-yl acetate	CCCC\C=C\COC(C)=O	InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
HMDB32304	Heptane-1-thiol	CCCCCCCS	InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
HMDB32305	N-(Heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide	CCCC(CCC)NC(=O)C1=CC=C2OCOC2=C1	InChI=1S/C15H21NO3/c1-3-5-12(6-4-2)16-15(17)11-7-8-13-14(9-11)19-10-18-13/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)
HMDB32302	Heptanal propyleneglycol acetal	CCCCCCC1OCC(C)O1	InChI=1S/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3
HMDB32303	2-Heptanethiol	CCCCCC(C)S	InChI=1S/C7H16S/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
HMDB32300	Glyceryl palmitostearate	OCC(O)CO.CCCCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C18H36O2.C16H32O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);3-6H,1-2H2
HMDB01088	Butyryl-CoA	CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)
HMDB01087	5-Methylthioribose	CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1
HMDB01086	Uroporphyrinogen III	OC(=O)CCC1=C2CC3=C(CCC(O)=O)C(CC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=C(CC5=C(CC(O)=O)C(CCC(O)=O)=C(CC(N2)=C1CC(O)=O)N5)N4)N3	InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
HMDB01085	Leukotriene B4	CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
HMDB01084	D-1-Piperideine-2-carboxylic acid	OC(=O)C1=NCCCC1	InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)
HMDB01083	Adenosyl cobyrinic acid a,c diamide	CC1=C2N3C([C@H](CC(O)=O)[C@@]2(C)CCC(O)=O)[C@]2(C)[N]4=C([C@@H](CCC(O)=O)[C@]2(C)CC(N)=O)C(C)=C2[N]5=C(C=C6[N](=C1[C@@H](CCC(O)=O)C6(C)C)[Co+]345C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C(N)N=CN=C13)[C@@H](CCC(O)=O)[C@]2(C)CC(N)=O	InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1
HMDB01081	(N-acetylneuraminosyl(a2-6)lactosamine)	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1
HMDB01080	4-Aminobutyraldehyde	NCCCC=O	InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2
HMDB45371	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-
HMDB45370	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,35,41,44,56H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,28-25-,35-32-,44-41-
HMDB45373	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-
HMDB45372	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-
HMDB45375	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,33,39,42,54H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-30-,42-39-
HMDB45374	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,37,40,52H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,40-37-
HMDB45377	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,30,32,35,41,44,56H,4-6,8-9,11-15,17-18,20-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,35-32-,44-41-
HMDB45376	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,32,35,41,44,56H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,35-32-,44-41-
HMDB45379	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-7,9-10,12-16,18-19,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB45378	TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,58H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-
HMDB07514	DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,41,44H,3-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1
HMDB49338	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,32,35,41,44,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-
HMDB09700	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,35,37,47H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1
HMDB09701	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,35,37,47H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1
HMDB09702	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35,37,47H,3-4,6,8-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1
HMDB09703	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35-38,47H,3-4,6,8-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1
HMDB09704	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35,37,47H,3-4,9-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1
HMDB09705	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,47H,3-4,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1
HMDB09706	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,37,39,49H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1
HMDB09707	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,37,39,49H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1
HMDB09708	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-,38-35-/t42-/m1/s1
HMDB09709	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB01555	Pyridoxamine 5'-phosphate	CC1=NC=C(COP(O)(O)=O)C(CN)=C1O	InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
HMDB01554	Xanthylic acid	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1NC(=O)NC2=O	InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
HMDB37871	4,5-Dimethyl-2-(1-methylethyl)oxazole	CC(C)C1=NC(C)=C(C)O1	InChI=1S/C8H13NO/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3
HMDB37870	4,5-Diethyl-2-methyloxazole	CCC1=C(CC)N=C(C)O1	InChI=1S/C8H13NO/c1-4-7-8(5-2)10-6(3)9-7/h4-5H2,1-3H3
HMDB01551	Palmitaldehyde	CCCCCCCCCCCCCCCC=O	InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
HMDB37876	5-Ethyl-2-methyl-4-propyloxazole	CCCC1=C(CC)OC(C)=N1	InChI=1S/C9H15NO/c1-4-6-8-9(5-2)11-7(3)10-8/h4-6H2,1-3H3
HMDB01553	2-Oxo-4-methylthiobutanoic acid	CSCCC(=O)C(O)=O	InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
HMDB01552	2-Keto-glutaramic acid	NC(=O)CCC(=O)C(O)=O	InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)
HMDB37879	4-Butyl-2,5-dimethyloxazole	CCCCC1=C(C)OC(C)=N1	InChI=1S/C9H15NO/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H2,1-3H3
HMDB37878	4-Ethyl-5-methyl-2-(1-methylethyl)oxazole	CCC1=C(C)OC(=N1)C(C)C	InChI=1S/C9H15NO/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3
HMDB40475	Kaempferol 3-O-glucosyl-(1-&gt;2)-rhamnoside	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C27H30O15/c1-9-17(32)21(36)25(42-26-22(37)20(35)18(33)15(8-28)40-26)27(38-9)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3
HMDB40474	Astragalin; 2''-O-(6-O-Acetyl-b-D-glucopyranosyl)	CC(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C29H32O17/c1-10(31)41-9-17-20(36)22(38)24(40)28(44-17)46-27-23(39)19(35)16(8-30)43-29(27)45-26-21(37)18-14(34)6-13(33)7-15(18)42-25(26)11-2-4-12(32)5-3-11/h2-7,16-17,19-20,22-24,27-30,32-36,38-40H,8-9H2,1H3
HMDB40477	Buddlenoid A	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C(O)C1O	InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+
HMDB40476	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1-&gt;2)-rhamnoside	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C42H46O22/c1-16-28(48)34(54)39(42(58-16)63-38-31(51)27-22(46)12-20(45)13-23(27)60-37(38)18-5-7-19(44)8-6-18)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-9-21(10-3-17)59-40-35(55)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+
HMDB40471	Isolariciresinol 4'-O-beta-D-glucoside	COC1=CC2=C(C=C1O)C(C(CO)C(CO)C2)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1	InChI=1S/C26H34O11/c1-34-19-7-13-5-14(9-27)16(10-28)22(15(13)8-17(19)30)12-3-4-18(20(6-12)35-2)36-26-25(33)24(32)23(31)21(11-29)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3
HMDB40470	3',4',5,7-Tetrahydroxyflavanone; (S)-form, 5-Me ether, 7-O-[b-D-glucopyranosyl-(1-&gt;4)-b-D-galactopyranoside]	COC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC2=C1C(=O)CC(O2)C1=CC=C(O)C(O)=C1	InChI=1S/C28H34O16/c1-39-16-5-11(6-17-20(16)14(33)7-15(41-17)10-2-3-12(31)13(32)4-10)40-27-25(38)23(36)26(19(9-30)43-27)44-28-24(37)22(35)21(34)18(8-29)42-28/h2-6,15,18-19,21-32,34-38H,7-9H2,1H3
HMDB40473	7-O-(4-Hydroxycinnamoyl) astragalin	OCC1OC(OC2=C(OC3=CC(OC(=O)\C=C\C4=CC=C(O)C=C4)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C30H26O13/c31-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(40-22(35)10-3-14-1-6-16(32)7-2-14)12-20(23)41-28(29)15-4-8-17(33)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+
HMDB40472	Agamanone	COC1=C2OCOC2=CC(=C1)C1CC(=O)C2=C(O)C(OC)=C(O)C=C2O1	InChI=1S/C18H16O8/c1-22-13-3-8(4-14-18(13)25-7-24-14)11-5-9(19)15-12(26-11)6-10(20)17(23-2)16(15)21/h3-4,6,11,20-21H,5,7H2,1-2H3
HMDB51792	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,33,35-36,41,44,50,53,62H,4-8,10-11,13-16,19,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB51793	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-8,10-11,13-16,19,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB51790	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB51791	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB40479	3',4',5,7,8-Pentahydroxyflavone; 3',7-Di-Me ether, 8-O-b-D-glucopyranoside	COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C(OC)C=C2O	InChI=1S/C23H24O12/c1-31-14-5-9(3-4-10(14)25)13-6-11(26)17-12(27)7-15(32-2)21(22(17)33-13)35-23-20(30)19(29)18(28)16(8-24)34-23/h3-7,16,18-20,23-25,27-30H,8H2,1-2H3
HMDB40478	3,4',5,6,7-Pentahydroxyflavone; 3-O-b-D-Glucopyranoside	OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2
HMDB51794	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,34,37-38,41,43,46,52,55,64H,4-8,10-11,13-16,19,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB51795	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-8,10-11,13-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB46136	TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,62H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-61H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-
HMDB46137	TG(20:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-
HMDB46134	TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-
HMDB46135	TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-
HMDB46132	TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,58H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-
HMDB46133	TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,32,34,37,58H,4-7,9-10,12-16,18-19,21-25,28,30-31,33,35-36,38-57H2,1-3H3/b11-8-,20-17-,29-26-,32-27-,37-34-
HMDB46130	TG(20:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,54H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-53H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-
HMDB46131	TG(20:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,35,56H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33-34,36-55H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,35-32-
HMDB49111	TG(18:1(11Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-
HMDB49110	TG(18:1(11Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,37,40,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-,40-37-
HMDB49113	TG(18:1(11Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB49112	TG(18:1(11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,42,45,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-,45-42-
HMDB46138	TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,33,35,38,59H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-32,34,36-37,39-58H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,33-30-,38-35-
HMDB46139	TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,32,34,37-38,41,58H,4-7,9-10,12-16,19,22-25,28,30-31,33,35-36,39-40,42-57H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-
HMDB47849	TG(14:1(9Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,55H,4-13,16,19-22,24,26-54H2,1-3H3/b17-14-,18-15-,25-23-
HMDB47848	TG(14:1(9Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,35,38,54H,4-14,16,19,21-24,26-29,31-34,36-37,39-53H2,1-3H3/b18-15-,20-17-,30-25-,38-35-
HMDB47845	TG(14:1(9Z)/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,58H,4-14,16-17,19-23,25,27-57H2,1-3H3/b18-15-,26-24-
HMDB47844	TG(14:1(9Z)/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,32,34,40,43,56H,4-14,16-17,19-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b18-15-,27-25-,34-32-,43-40-
HMDB47847	TG(14:1(9Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,31,55H,4-14,16-17,19,21-22,24-26,28-30,32-54H2,1-3H3/b18-15-,23-20-,31-27-
HMDB47846	TG(14:1(9Z)/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,60H,4-14,16-17,19-23,25,27-59H2,1-3H3/b18-15-,26-24-
HMDB47841	TG(14:1(9Z)/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-
HMDB47840	TG(14:1(9Z)/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-
HMDB47843	TG(14:1(9Z)/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,56H,4-14,16-17,19-24,26,28-55H2,1-3H3/b18-15-,27-25-
HMDB47842	TG(14:1(9Z)/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,25,30,54H,4-14,16-17,19-24,26-29,31-53H2,1-3H3/b18-15-,30-25-
HMDB35659	Silica	O=[Si]=O	InChI=1S/O2Si/c1-3-2
HMDB35658	(-)-alpha-Pinene	CC1=CC[C@H]2C[C@@H]1C2(C)C	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
HMDB35651	6-Hydroxy-8-docosanone	CCCCCCCCCCCCCCC(=O)CC(O)CCCCC	InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h21,23H,3-20H2,1-2H3
HMDB35650	6-Hydroxy-4-tricosanone	CCCCCCCCCCCCCCCCCC(O)CC(=O)CCC	InChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h23,25H,3-21H2,1-2H3
HMDB35652	Perilla sugar	CC(=C)C1CCC(\C=N\O)=CC1	InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+
HMDB35655	8-Hydroxy-6-docosanone	CCCCCCCCCCCCCCC(O)CC(=O)CCCCC	InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h22,24H,3-20H2,1-2H3
HMDB35654	Phytal	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\C=O	InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+
HMDB35657	Solavetivone	CC1CC(=O)C=C(C)C11CCC(C1)C(C)=C	InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3
HMDB35656	3-Pinanone	CC1C2CC(CC1=O)C2(C)C	InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
HMDB43506	TG(15:0/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,55H,4-6,8-9,11-15,18,21-24,29-30,35-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-
HMDB33550	3-(Carboxymethylamino)propanoic acid	OC(=O)CCNCC(O)=O	InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10)
HMDB33551	5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone	CCC1OC(=O)C(O)=C1C	InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3
HMDB33552	()-1,3-Butanedithiol	CC(S)CCS	InChI=1S/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
HMDB33553	3-[(3-Methylbutyl)nitrosoamino]-2-butanone	CC(C)CCN(N=O)C(C)C(C)=O	InChI=1S/C9H18N2O2/c1-7(2)5-6-11(10-13)8(3)9(4)12/h7-8H,5-6H2,1-4H3
HMDB33554	2-Methyl-2-octenal	CCCCC\C=C(\C)C=O	InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h7-8H,3-6H2,1-2H3/b9-7-
HMDB33555	Isomugineic acid	OC(CN1CCC1C(O)=O)C(NCCC(O)C(O)=O)C(O)=O	InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)
HMDB33556	2,5-Dimethyl-1,4-dithiane-2,5-diol	CC1(O)CSC(C)(O)CS1	InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3
HMDB33557	()-6-Chlorotryptophan	NC(CC1=CNC2=C1C=CC(Cl)=C2)C(O)=O	InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
HMDB33558	4-O-Methylgalactinol	CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6+,7+,8-,9+,10-,11+,12+,13-/m1/s1
HMDB33559	7,7'-Dihydroxy-6,8'-bicoumarin	OC1=CC2=C(C=CC(=O)O2)C=C1C1=C(O)C=CC2=C1OC(=O)C=C2	InChI=1S/C18H10O6/c19-12-4-1-9-2-5-16(22)24-18(9)17(12)11-7-10-3-6-15(21)23-14(10)8-13(11)20/h1-8,19-20H
HMDB34018	Rolliacocin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)CCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB34019	Parvisoflavone A	CC1(C)OC2=CC(O)=C3C(=O)C(=COC3=C2C=C1)C1=CC=C(O)C=C1O	InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-9,21-23H,1-2H3
HMDB57687	CL(16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,44,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1
HMDB34010	4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan	COC1=C(C=CC(O)=C1CC=C(C)C)C1COC2=CC(O)=CC=C2C1	InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3
HMDB34011	2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 5,6-Di-Me ether	COC1=C(OC)C=C2C=C(OC2=C1)C1=CC=C(O)C=C1O	InChI=1S/C16H14O5/c1-19-15-6-9-5-14(21-13(9)8-16(15)20-2)11-4-3-10(17)7-12(11)18/h3-8,17-18H,1-2H3
HMDB34012	3,4-Dihydroxy-9-methoxypterocarpan	COC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3O)C1O2	InChI=1S/C16H14O5/c1-19-8-2-3-9-11-7-20-16-10(4-5-12(17)14(16)18)15(11)21-13(9)6-8/h2-6,11,15,17-18H,7H2,1H3
HMDB34013	Lathycarpin	COC1=C(OC)C=C2C3OC4=C(C=C5OCOC5=C4)C3(O)COC2=C1	InChI=1S/C18H16O7/c1-20-13-3-9-11(5-14(13)21-2)22-7-18(19)10-4-15-16(24-8-23-15)6-12(10)25-17(9)18/h3-6,17,19H,7-8H2,1-2H3
HMDB34014	2'-Hydroxygenistein	OC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H
HMDB34015	1,6-Dihydroxy-3-methoxy-2-prenylxanthone	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=CC=C(O)C=C1O2	InChI=1S/C19H18O5/c1-10(2)4-6-12-14(23-3)9-16-17(18(12)21)19(22)13-7-5-11(20)8-15(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3
HMDB34016	6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one	CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C3C4OOC(C)(C)C4OC3=C12	InChI=1S/C22H26O7/c1-6-7-11-9-13(24)26-18-14(11)19-16(17(25)15(18)12(23)8-10(2)3)20-21(27-19)22(4,5)29-28-20/h9-10,20-21,25H,6-8H2,1-5H3
HMDB34017	Kuwanol D	CC(C)=CCC\C(C)=C\CC1=CC(\C=C\C(=O)C2=CC=C(O)C=C2O)=C(O)C=C1O	InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-8-18-13-19(24(29)15-23(18)28)9-12-22(27)21-11-10-20(26)14-25(21)30/h5,7,9-15,26,28-30H,4,6,8H2,1-3H3/b12-9+,17-7+
HMDB31026	Calenduloside H	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)
HMDB31027	Oleanolic acid bisdesmosides; Tetraglycosides, 3-O-[b-D-Xylopyranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;4)]-b-D-glucuronopyranoside], 28-O-b-D-glucopyranosyl ester	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-43-35(62)30(57)24(56)21-69-43)38(65)39(41(75-46)42(66)67)73-44-36(63)33(60)31(58)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)
HMDB31024	Achyranthoside C	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H72O20/c1-42(2)14-16-47(41(61)67-39-30(53)29(52)28(51)23(19-48)63-39)17-15-45(6)21(22(47)18-42)8-9-25-44(5)12-11-26(43(3,4)24(44)10-13-46(25,45)7)64-40-32(55)34(31(54)35(66-40)37(59)60)65-38(33(56)36(57)58)62-20-27(49)50/h8,22-26,28-35,38-40,48,51-56H,9-20H2,1-7H3,(H,49,50)(H,57,58)(H,59,60)
HMDB31025	Betavulgaroside IV	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C41H62O15/c1-36(2)14-16-41(35(51)52)17-15-39(6)20(21(41)18-36)8-9-23-38(5)12-11-24(37(3,4)22(38)10-13-40(23,39)7)54-34-27(45)29(26(44)30(56-34)32(49)50)55-33(28(46)31(47)48)53-19-25(42)43/h8,21-24,26-30,33-34,44-46H,9-19H2,1-7H3,(H,42,43)(H,47,48)(H,49,50)(H,51,52)
HMDB31022	Elatoside I	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(67-40-33(56)31(54)29(52)24(20-50)63-40)35(34(57)36(66-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)
HMDB31023	Achyranthoside D	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H82O25/c1-48(2)14-16-53(47(70)78-45-35(63)33(61)31(59)25(20-55)73-45)17-15-51(6)22(23(53)18-48)8-9-27-50(5)12-11-28(49(3,4)26(50)10-13-52(27,51)7)74-46-40(77-44-34(62)32(60)30(58)24(19-54)72-44)38(36(64)39(76-46)42(68)69)75-43(37(65)41(66)67)71-21-29(56)57/h8,23-28,30-40,43-46,54-55,58-65H,9-21H2,1-7H3,(H,56,57)(H,66,67)(H,68,69)
HMDB31020	2-Dodecenal	CCCCCCCCC\C=C\C=O	InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
HMDB31021	Acutoside A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-33(31(48)29(46)24(20-44)53-35)55-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)
HMDB44404	TG(16:0/22:2(13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,57H,4-13,15,18,20-22,24,28-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-
HMDB44405	TG(16:0/22:2(13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,58H,4-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-
HMDB44406	TG(16:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,42,45,58H,4-15,18,21-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-,45-42-
HMDB44407	TG(16:0/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,60H,4-15,18,21-24,29-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-
HMDB44400	TG(16:0/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,60H,4-16,18-19,21-24,29-59H2,1-3H3/b20-17-,27-25-,28-26-
HMDB44401	TG(16:0/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,62H,4-16,18-19,21-24,29-61H2,1-3H3/b20-17-,27-25-,28-26-
HMDB31028	2-Dodecenoic acid; (E)-form, Me ester	CCCCCCCCC\C=C\C(=O)OC	InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h11-12H,3-10H2,1-2H3/b12-11+
HMDB31029	2-Dodecenoic acid; (E)-form, Et ester	CCCCCCCCC\C=C\C(=O)OCC	InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3/b13-12+
HMDB57681	CL(16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-20,23-24,29-30,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB42727	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,39,42,48,51,60H,4-16,18-19,21-24,26,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,27-25-,35-32-,42-39-,51-48-
HMDB42726	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,31,33,37,40,46,49,58H,4-16,18-19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b20-17-,27-25-,33-31-,40-37-,49-46-
HMDB42725	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,35,38,44,47,56H,4-15,17-18,20-23,25,27-28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,26-24-,31-29-,38-35-,47-44-
HMDB42724	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,42,45,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-,45-42-
HMDB42723	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,40,43,52H,4-15,17-18,20-23,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31-,43-40-
HMDB42722	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,39,42,51H,4-15,17-18,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-,42-39-
HMDB42721	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h16,19,23-24,26-27,29,32,38,41,50H,4-15,17-18,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b19-16-,24-23-,27-26-,32-29-,41-38-
HMDB42720	TG(14:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-
HMDB42729	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,40,43,52H,4-15,17-18,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-,43-40-
HMDB42728	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14,16-17,19,23-24,26-27,29,32,38,41,50H,4-13,15,18,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,32-29-,41-38-
HMDB30779	Mammea A/BA	CC(C)CC(=O)C1=C2OC(=O)C=C(C3=CC=CC=C3)C2=C(O)C(CC=C(C)C)=C1O	InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3
HMDB30778	Mammea A/AB	CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O	InChI=1S/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3
HMDB30771	6alpha-Hydroxyphaseollin	CC1(C)OC2=C(C=C1)C=C1OC3C4=CC=C(O)C=C4OCC3(O)C1=C2	InChI=1S/C20H18O5/c1-19(2)6-5-11-7-17-14(9-15(11)25-19)20(22)10-23-16-8-12(21)3-4-13(16)18(20)24-17/h3-9,18,21-22H,10H2,1-2H3
HMDB30770	4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone	CC(C)=CCC1=C(O)C=CC(=C1)C(C)=O	InChI=1S/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3
HMDB30773	Juglone	OC1=CC=CC2=C1C(=O)C=CC2=O	InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
HMDB30772	Demethoxyegonol	OCCCC1=CC2=C(OC(=C2)C2=CC3=C(OCO3)C=C2)C=C1	InChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2
HMDB30775	Quercetin 3-galactoside	OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
HMDB30774	(+)-12a-Hydroxypachyrrhizone	COC1=C2OC3COC4=CC5=C(OCO5)C=C4C3(O)C(=O)C2=CC2=C1OC=C2	InChI=1S/C20H14O8/c1-23-18-16-9(2-3-24-16)4-10-17(18)28-15-7-25-12-6-14-13(26-8-27-14)5-11(12)20(15,22)19(10)21/h2-6,15,22H,7-8H2,1H3
HMDB30777	Malvidin 3-glucoside	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2	InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1
HMDB30776	Maltol	CC1=C(O)C(=O)C=CO1	InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
HMDB52919	TG(18:3(6Z,9Z,12Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,36,42,45,62H,4-15,17,20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b19-16-,21-18-,28-25-,36-27-,45-42-
HMDB52918	TG(18:3(6Z,9Z,12Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,38,40,43-44,47,60H,4-16,19,22-25,28,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB39569	Ginsenoyne F	CC(=O)OC(C=C)C#CC#CCC1OC1CCCCCC=C	InChI=1S/C19H24O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h4-5,17-19H,1-2,6-8,11,14-15H2,3H3
HMDB39568	Ginsenoyne H	CCC(OC(C)=O)C#CC#CCC1OC1CCCCCC=C	InChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h4,17-19H,1,5-8,11,14-15H2,2-3H3
HMDB39355	Methyl 6-O-digalloyl-beta-D-glucopyranoside	Br.CN(C)CCOC1=C(C2=CC=CC=C2)C(=O)N2C=CN=CC2=N1	InChI=1S/C17H18N4O2.BrH/c1-20(2)10-11-23-16-15(13-6-4-3-5-7-13)17(22)21-9-8-18-12-14(21)19-16;/h3-9,12H,10-11H2,1-2H3;1H
HMDB39563	Cynarasaponin D	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H74O19/c1-20-9-14-47(42(60)66-40-35(57)31(53)30(52)24(17-48)62-40)16-15-45(5)22(28(47)21(20)2)7-8-26-43(3)12-11-27(44(4,19-49)25(43)10-13-46(26,45)6)63-41-37(33(55)32(54)36(64-41)38(58)59)65-39-34(56)29(51)23(50)18-61-39/h7,20-21,23-37,39-41,48-57H,8-19H2,1-6H3,(H,58,59)
HMDB39562	Cynarasaponin E	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)
HMDB39561	Cynarasaponin F	CC1C(O)CC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O	InChI=1S/C41H64O14/c1-18-19(2)26-20-8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,7)39(20,6)14-15-41(26,36(50)51)16-21(18)42)53-35-32(29(46)28(45)31(54-35)33(48)49)55-34-30(47)27(44)22(43)17-52-34/h8,18-19,21-32,34-35,42-47H,9-17H2,1-7H3,(H,48,49)(H,50,51)
HMDB39560	Cynarasaponin J	CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H74O19/c1-42(2)16-21-20-8-9-25-44(5)12-11-27(63-40-36(32(55)31(54)35(64-40)37(58)59)65-38-33(56)28(51)22(49)19-61-38)43(3,4)24(44)10-13-46(25,7)45(20,6)14-15-47(21,17-26(42)50)41(60)66-39-34(57)30(53)29(52)23(18-48)62-39/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)
HMDB39567	BL V	CC(=O)OC1=C(OC(C)=O)C(=C(O)C2=C1C1=CC(O)=C(O)C=C1O2)C1=CC=C(O)C=C1	InChI=1S/C22H16O9/c1-9(23)29-21-17(11-3-5-12(25)6-4-11)19(28)20-18(22(21)30-10(2)24)13-7-14(26)15(27)8-16(13)31-20/h3-8,25-28H,1-2H3
HMDB39566	BL III	CC(=O)OC1=CC=C(C=C1)C1=C(OC(C)=O)C2=C(C3=CC(O)=C(O)C=C3O2)C(OC(C)=O)=C1OC(C)=O	InChI=1S/C26H20O11/c1-11(27)33-16-7-5-15(6-8-16)21-23(34-12(2)28)25(36-14(4)30)22-17-9-18(31)19(32)10-20(17)37-26(22)24(21)35-13(3)29/h5-10,31-32H,1-4H3
HMDB39565	BL II	CC(=O)OC1=C(OC(C)=O)C=C2C(OC3=C2C(OC(C)=O)=C(OC(C)=O)C(C2=CC=C(O)C=C2)=C3OC(C)=O)=C1	InChI=1S/C28H22O12/c1-12(29)35-21-10-19-20(11-22(21)36-13(2)30)40-28-24(19)27(39-16(5)33)25(37-14(3)31)23(26(28)38-15(4)32)17-6-8-18(34)9-7-17/h6-11,34H,1-5H3
HMDB39564	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; (S)-form, O-a-L-Rhamnopyranoside	CC1OC(OC(C)(C)C2CC3=CC4=C(OC(=O)C=C4)C=C3O2)C(O)C(O)C1O	InChI=1S/C20H24O8/c1-9-16(22)17(23)18(24)19(25-9)28-20(2,3)14-7-11-6-10-4-5-15(21)27-12(10)8-13(11)26-14/h4-6,8-9,14,16-19,22-24H,7H2,1-3H3
HMDB54139	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,44,47,60H,4-6,8-9,11-15,18,21-24,31-33,36,39-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,47-44-
HMDB38218	Pterosin N	CC1=CC2=C(C(=O)C(C)(O)C2)C(C)=C1CCO	InChI=1S/C14H18O3/c1-8-6-10-7-14(3,17)13(16)12(10)9(2)11(8)4-5-15/h6,15,17H,4-5,7H2,1-3H3
HMDB38219	Rosmadial	[H]OC1=C2OC(=O)C3(C2=C(C([H])=O)C([H])=C1C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C3([H])C([H])=O	InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)15-17(16(13)23)25-18(24)20(15)7-5-6-19(3,4)14(20)10-22/h8-11,14,23H,5-7H2,1-4H3
HMDB54138	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,36,38,41-42,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-
HMDB38212	Humulenol II	C\C1=C\CC(C)(C)\C=C/CC(=C)C(O)CC1	InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,14,16H,2,6-8,11H2,1,3-4H3/b10-5-,12-9-
HMDB38213	Humulol	C\C1=C/CC(C)(C)\C=C\CC(C)(O)CCC1	InChI=1S/C15H26O/c1-13-7-5-10-15(4,16)11-6-9-14(2,3)12-8-13/h6,8-9,16H,5,7,10-12H2,1-4H3/b9-6+,13-8+
HMDB38210	Humulene epoxide II	C\C1=C\CC(C)(C)\C=C/CC2(C)OC2CC1	InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-
HMDB38211	Humulenol I	C\C1=C\CCC(=C)C(O)CC(C)(C)\C=C/C1	InChI=1S/C15H24O/c1-12-7-5-9-13(2)14(16)11-15(3,4)10-6-8-12/h6-7,10,14,16H,2,5,8-9,11H2,1,3-4H3/b10-6-,12-7-
HMDB38216	5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one	CC(C)CC1=CCC(CC1=O)C(C)C	InChI=1S/C13H22O/c1-9(2)7-12-6-5-11(10(3)4)8-13(12)14/h6,9-11H,5,7-8H2,1-4H3
HMDB38217	Pterosin H	CC1=CC2=C(C(=O)C(C)(C)C2)C(C)=C1CCCl	InChI=1S/C15H19ClO/c1-9-7-11-8-15(3,4)14(17)13(11)10(2)12(9)5-6-16/h7H,5-6,8H2,1-4H3
HMDB38214	beta-Humulene	C\C1=C\CC(C)(C)\C=C/CC(=C)CCC1	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6-,14-10-
HMDB38215	alpha-Sinensal	C\C(CC\C=C(\C)C=O)=C/C\C=C(\C)C=C	InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8-,14-9+,15-11-
HMDB37091	Delphinidin 3-lathyroside 5-(6-acetylglucoside)	CC(=O)OCC1OC(OC2=C3C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C34H40O22/c1-10(36)49-9-21-25(44)26(45)29(48)33(55-21)52-18-5-12(37)4-17-13(18)6-19(30(51-17)11-2-14(38)22(41)15(39)3-11)53-34-31(27(46)24(43)20(7-35)54-34)56-32-28(47)23(42)16(40)8-50-32/h2-6,16,20-21,23-29,31-35,40,42-48H,7-9H2,1H3,(H3-,37,38,39,41)/p+1
HMDB37090	Delphinidin 3-lathyroside 5-glucoside	OCC1OC(OC2=C3C=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/p+1
HMDB37093	3,4-Di-O-caffeoylquinic acid; 3''-Me ether, Me ester	COC(=O)C1(O)CC(O)C(OC(=O)\C=C/C2=CC=C(O)C(OC)=C2)C(C1)OC(=O)\C=C/C1=CC=C(O)C(O)=C1	InChI=1S/C27H28O12/c1-36-21-12-16(4-8-18(21)29)6-10-24(33)39-25-20(31)13-27(35,26(34)37-2)14-22(25)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h3-12,20,22,25,28-31,35H,13-14H2,1-2H3/b9-5-,10-6-
HMDB37092	3-Caffeoyl-4-feruloylquinic acid	COC1=CC(\C=C/C(=O)OC2C(O)CC(O)(CC2OC(=O)\C=C/C2=CC=C(O)C(O)=C2)C(O)=O)=CC=C1O	InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-4-,9-5-
HMDB37094	3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-O-b-D-glucopyranoside, 7-O-b-D-glucuronopyranoside	OCC1OC(OC2=C(O)C3=C(OC(C4=CC=C(O)C=C4)=C(OC4OC(CO)C(O)C(O)C4O)C3=O)C=C2OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C33H38O23/c34-6-12-15(37)19(41)23(45)32(52-12)54-27-11(51-31-25(47)21(43)22(44)29(56-31)30(48)49)5-10-14(17(27)39)18(40)28(26(50-10)8-1-3-9(36)4-2-8)55-33-24(46)20(42)16(38)13(7-35)53-33/h1-5,12-13,15-16,19-25,29,31-39,41-47H,6-7H2,(H,48,49)
HMDB37097	Piperitol; (-)-form, O-(3-Methyl-2-butenyl)	COC1=C(O\C=C/C(C)C)C=CC(=C1)C1OCC2C1COC2C1=CC2=C(OCO2)C=C1	InChI=1S/C25H28O6/c1-15(2)8-9-27-20-6-4-16(10-22(20)26-3)24-18-12-29-25(19(18)13-28-24)17-5-7-21-23(11-17)31-14-30-21/h4-11,15,18-19,24-25H,12-14H2,1-3H3/b9-8-
HMDB37096	Pilosin	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(O)C(OC)=C2O	InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)11-7-10(18)12-13(19)17(23-2)15(21)14(20)16(12)24-11/h3-7,19-21H,1-2H3
HMDB37098	Patientoside A	CC(=O)C1=C(O)C2=C(C=CC=C2OC2OC(CO)C(O)C(O)C2O)C(Cl)=C1C	InChI=1S/C19H21ClO8/c1-7-12(8(2)22)16(24)13-9(14(7)20)4-3-5-10(13)27-19-18(26)17(25)15(23)11(6-21)28-19/h3-5,11,15,17-19,21,23-26H,6H2,1-2H3
HMDB52913	TG(18:3(6Z,9Z,12Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-
HMDB52912	TG(18:3(6Z,9Z,12Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-
HMDB52839	TG(18:2(9Z,12Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h9,12,18-19,21-22,27-28,30-31,56H,4-8,10-11,13-17,20,23-26,29,32-55H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,31-28-
HMDB08426	PC(20:4(5Z,8Z,11Z,14Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,26,28,40H,6-13,15,17-18,21,24-25,27,29-39H2,1-5H3/b16-14-,20-19-,23-22-,28-26-/t40-/m1/s1
HMDB08427	PC(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13-16,19-20,22-23,26,28,40H,6-12,17-18,21,24-25,27,29-39H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,28-26-/t40-/m1/s1
HMDB08424	PC(20:3(8Z,11Z,14Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,38,41,45H,6-13,15,18,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,41-38-
HMDB08425	PC(20:3(8Z,11Z,14Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,38,41,45H,6-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,41-38-
HMDB08422	PC(20:3(8Z,11Z,14Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,36,39,43H,6-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,39-36-
HMDB08423	PC(20:3(8Z,11Z,14Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,38,41,45H,6-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,41-38-
HMDB08420	PC(20:3(8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,30,32,50H,6-14,16,18-20,22,24-29,31,33-49H2,1-5H3/b17-15-,23-21-,32-30-/t50-/m1/s1
HMDB08421	PC(20:3(8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,30,32,50H,6-14,16,18-19,24-29,31,33-49H2,1-5H3/b17-15-,22-20-,23-21-,32-30-/t50-/m1/s1
HMDB08428	PC(20:4(5Z,8Z,11Z,14Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27,29,41H,6-13,15,17-19,22,25-26,28,30-40H2,1-5H3/b16-14-,21-20-,24-23-,29-27-/t41-/m1/s1
HMDB08429	PC(20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,28,30,42H,6-13,15,17-19,22,24,26-27,29,31-41H2,1-5H3/b16-14-,21-20-,25-23-,30-28-/t42-/m1/s1
HMDB52814	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-37,41-42,44-45,50,53,63H,4-6,9,12-15,18,22-23,27,31-32,38-40,43,46-49,51-52,54-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,53-50-
HMDB52815	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-34,38,41,60H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,33-32-,34-29-,41-38-
HMDB52816	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28-30,32-35,39,42,48,51,60H,4-6,8-9,11-15,17-18,22,26-27,31,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,33-32-,34-29-,35-30-,42-39-,51-48-
HMDB52817	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-34,38-39,41-42,47,50,59H,4-6,8-9,11-15,17,22,24,26,30,35-37,40,43-46,48-49,51-58H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,42-39-,50-47-
HMDB52810	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,38-39,41-42,59H,4-6,8,11,13-15,17,22,24,26,30,35-37,40,43-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,42-39-
HMDB52811	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-36,39-40,43,61H,4-6,9,12-15,18,22-23,27,31,33,37-38,41-42,44-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-
HMDB52812	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-36,39-40,43,45,48,61H,4-6,9,12-15,18,22-23,27,31,33,37-38,41-42,44,46-47,49-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-
HMDB52813	TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-37,41-42,44-45,63H,4-6,9,12-15,18,22-23,27,31-32,38-40,43,46-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-
HMDB52818	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h7,10,14,16-17,19,21,23-26,28,30,32-33,35,39,42,48,51,60H,4-6,8-9,11-13,15,18,20,22,27,29,31,34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,33-32-,35-30-,42-39-,51-48-
HMDB52819	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-36,39-40,43,49,52,61H,4-6,8-9,11-15,18,22-23,27,31,33,37-38,41-42,44-48,50-51,53-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,52-49-
HMDB54137	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,36,42,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-
HMDB54136	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-15,18,21-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB35545	12,14-Heptacosanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC	InChI=1S/C27H52O2/c1-3-5-7-9-11-13-14-16-18-20-22-24-27(29)25-26(28)23-21-19-17-15-12-10-8-6-4-2/h3-25H2,1-2H3
HMDB57855	CL(18:1(11Z)/16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,28-29,32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57538	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,29,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,32-28-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1
HMDB57539	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1
HMDB57534	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB56729	CL(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,44,47,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-43,45-46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-44-/t76?,77-,78-/m1/s1
HMDB57535	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-9,11-13,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57536	CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,28-29,32,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1
HMDB36320	Skyrin; (R)-form, 2-O-b-D-Glucopyranoside	CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=C(O)C(=C1C2=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C2=C1C(=O)C1=CC(C)=CC(O)=C1C2=O	InChI=1S/C36H28O15/c1-10-3-12-21(14(38)5-10)32(46)24-17(41)7-16(40)23(27(24)29(12)43)26-19(50-36-35(49)34(48)31(45)20(9-37)51-36)8-18(42)25-28(26)30(44)13-4-11(2)6-15(39)22(13)33(25)47/h3-8,20,31,34-42,45,48-49H,9H2,1-2H3
HMDB36321	e-Viniferin; (7E,7'R,8'R)-form, 3',5'-Di-O-b-D-glucopyranoside	OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=CC(O)=CC(\C=C\C4=CC=C(O)C=C4)=C23)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1+
HMDB36322	e-Viniferin; (7Z,7'R,8'R)-form, 3',5'-Di-O-b-D-glucopyranoside	OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=CC(O)=CC(\C=C/C4=CC=C(O)C=C4)=C23)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1-
HMDB36323	Secoisolariciresinol 9,9'-diglucoside	COC1=CC(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3
HMDB36324	Glicoricone	COC1=C(CC=C(C)C)C(O)=CC(O)=C1C1=COC2=CC(O)=CC=C2C1=O	InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-17(24)19(21(13)26-3)15-10-27-18-8-12(22)5-7-14(18)20(15)25/h4-5,7-10,22-24H,6H2,1-3H3
HMDB36325	Dinorcapsaicin	COC1=CC(CNC(=O)CC\C=C\C(C)C)=CC=C1O	InChI=1S/C16H23NO3/c1-12(2)6-4-5-7-16(19)17-11-13-8-9-14(18)15(10-13)20-3/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,17,19)/b6-4+
HMDB36326	N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide	CCCCCCCC(=O)NCC1=CC=C(O)C(OC)=C1	InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)
HMDB36327	Norcapsaicin	COC1=CC(CNC(=O)CCC\C=C\C(C)C)=CC=C1O	InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)/b7-5+
HMDB36328	Nordihydrocapsaicin	COC1=CC(CNC(=O)CCCCCC(C)C)=CC=C1O	InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)
HMDB36329	Homocapsaicin	COC1=CC(CNC(=O)CCCCC\C=C\C(C)C)=CC=C1O	InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+
HMDB57531	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h21,25-28,30-33,35-36,38-40,44,47,55,59,76-78,83H,5-20,22-24,29,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1
HMDB44189	TG(16:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,40-41,43-44,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB44188	TG(16:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB04118	Antimony	[Sb+3]	InChI=1S/Sb/q+3
HMDB44181	TG(16:0/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-32,34-35,41,44,56H,4-15,17-18,20-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB44180	TG(16:0/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,31,34,40,43,55H,4-13,15-16,18-22,24,28-30,32-33,35-39,41-42,44-54H2,1-3H3/b17-14-,26-23-,27-25-,34-31-,43-40-
HMDB44183	TG(16:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,34,37,43,46,58H,4-15,17-18,20-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,27-25-,28-26-,37-34-,46-43-
HMDB04119	Selenohomocysteine	NC(CC[SeH])C(O)=O	InChI=1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
HMDB44185	TG(16:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-15,17-18,20-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB44184	TG(16:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,34,36-37,39,43,46,58H,4-15,17-18,20-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB44187	TG(16:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,33,35,38-39,42,54H,4-7,9-10,12-16,18-19,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB44186	TG(16:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,33,39,42,54H,4-7,9-10,12-16,18-19,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,33-30-,42-39-
HMDB51560	TG(22:1(13Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,57H,4-20,22-23,26,28-56H2,1-3H3/b24-21-,27-25-
HMDB56725	CL(16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-40,44,47,55,59,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1
HMDB58445	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-20,22-24,26,28-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58444	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,37,39-41,46,50,58,62,79-81,86H,5-20,22-24,26,29-30,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB34849	4-Methylnonanoic acid	CCCCCC(C)CCC(O)=O	InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
HMDB34848	9-Decenal	C=CCCCCCCCC=O	InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h2,10H,1,3-9H2
HMDB58441	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58440	CL(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB58443	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58442	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,37,39-41,46,50,58,62,79-81,86H,5-20,22-24,26,28-30,32,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB34843	Acteoside	CC1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+
HMDB34842	Faradiol palmitate	CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC32C)C1(C)C	InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(3)33(2)26-29-44(41,7)38(47)32-46(35,45)9/h26,34-39,41,47H,10-25,27-32H2,1-9H3
HMDB34841	Faradiol myristate	CCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC32C)C1(C)C	InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h24,32-37,39,45H,10-23,25-30H2,1-9H3
HMDB34840	Faradiol laurate	CCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC32C)C1(C)C	InChI=1S/C42H72O3/c1-10-11-12-13-14-15-16-17-18-19-36(44)45-35-24-26-39(6)32(38(35,4)5)23-27-41(8)33(39)21-20-31-37-30(3)29(2)22-25-40(37,7)34(43)28-42(31,41)9/h22,30-35,37,43H,10-21,23-28H2,1-9H3
HMDB58449	CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,66,83-85,90H,5-9,11-13,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB34846	2-(4-Methylphenyl)-1-propanol	CC(CO)C1=CC=C(C)C=C1	InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3
HMDB34845	2,4-Nonadien-1-ol	CCCC\C=C\C=C\CO	InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3/b6-5+,8-7+
HMDB34844	Citronellyl acetate	C[C@@H](CCOC(C)=O)CCC=C(C)C	InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1
HMDB12108	LysoPC(17:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/t24-/m1/s1
HMDB12109	5,6-Dihydroxyprostaglandin F1a	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(O)C(O)CCCC(O)=O	InChI=1S/C20H36O7/c1-2-3-4-6-13(21)9-10-14-15(18(24)12-17(14)23)11-19(25)16(22)7-5-8-20(26)27/h9-10,13-19,21-25H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13-,14+,15+,16?,17+,18-,19?/m0/s1
HMDB12107	SM(d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1
HMDB12104	SM(d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,36,38,43-44,48H,6-19,22-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b21-20-,38-36+/t43-,44+/m0/s1
HMDB12105	SM(d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b39-37+/t44-,45+/m0/s1
HMDB12102	SM(d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42+/m0/s1
HMDB12103	SM(d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b38-36+/t43-,44+/m0/s1
HMDB12100	SM(d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,32,34,39-40,44H,6-15,17,19-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b18-16-,34-32+/t39-,40+/m0/s1
HMDB12101	SM(d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b21-20-,34-32+/t39-,40+/m0/s1
HMDB29540	Nobiletin	COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC	InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
HMDB29541	(+)-Zeylenol	OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C1=CC=CC=C1	InChI=1S/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2
HMDB29542	Clusin	COC1=CC(CC2C(CC3=CC4=C(OCO4)C=C3)COC2O)=CC(OC)=C1OC	InChI=1S/C22H26O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16,22-23H,6-7,11-12H2,1-3H3
HMDB29543	(+)-Ligballinol	OC1=CC=C(C=C1)C1OCC2C1COC2C1=CC=C(O)C=C1	InChI=1S/C18H18O4/c19-13-5-1-11(2-6-13)17-15-9-22-18(16(15)10-21-17)12-3-7-14(20)8-4-12/h1-8,15-20H,9-10H2
HMDB29544	Miscanthoside	OCC1OC(OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C(O)=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2
HMDB29545	3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC	InChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3
HMDB29546	Pebrellin	[H]OC1=C(O[H])C2=C(OC(=C([H])C2=O)C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C(OC([H])([H])[H])=C1OC([H])([H])[H]	InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)16(22)18(25-3)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3
HMDB29547	4'-Hydroxy-3',5,6,7,8-pentamethoxyflavone	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC	InChI=1S/C20H20O8/c1-23-14-8-10(6-7-11(14)21)13-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,21H,1-5H3
HMDB29548	Diosmin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O	InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3
HMDB29549	Eleutheroside B1	COC1=CC2=C(OC(=O)C=C2)C(OC)=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3
HMDB53024	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,36,38-41,43,45,48,60H,4-6,8-9,11-15,17,20,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB53025	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-6,8-9,11-15,17,20,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB53022	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-34,36-38,41,43,46,58H,4-6,8-9,11-15,17,20,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB53023	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-34,36-38,41-43,45-46,58H,4-6,8-9,11-15,17,20,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB53020	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-32,35,37,40-41,44,56H,4-7,9-10,12-16,19,22-24,29,33-34,36,38-39,42-43,45-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,40-37-,44-41-
HMDB53021	TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-32,35-37,39-41,44,56H,4-7,9-10,12-16,19,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB53794	TG(20:3n6/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-
HMDB53795	TG(20:3n6/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,49,52,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,52-49-
HMDB53796	TG(20:3n6/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,59H,4-15,17-18,20-24,27,30-32,34-35,37-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-
HMDB53797	TG(20:3n6/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-39,45,48,60H,4-15,18,21-24,31-33,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB53790	TG(20:3n6/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,36,58H,4-8,10-11,13-15,17,20,22-24,30-31,34-35,37-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-
HMDB53791	TG(20:3n6/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-33,36,38,41,58H,4-8,10-11,13-15,17,20,22-24,30-31,34-35,37,39-40,42-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-
HMDB53792	TG(20:3n6/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,60H,4-6,8-9,11-15,18,21-24,31-33,36,39-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB53793	TG(20:3n6/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43,46,60H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-
HMDB53798	TG(20:3n6/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-39,43,45-46,48,60H,4-15,18,21-24,31-33,40-42,44,47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB53799	TG(20:3n6/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,36,38-39,41,47,50,62H,4-15,18,21-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB14799	Verapamil	<smiles/>	InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
HMDB14798	Metaxalone	CC1=CC(OCC2CNC(=O)O2)=CC(C)=C1	InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
HMDB52707	TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,35-36,39,45,48,61H,4-7,9-10,12-15,18,22-23,27,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,39-36-,48-45-
HMDB14791	Magnesium Sulfate	[Mg++].[O-]S([O-])(=O)=O	InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
HMDB14790	Pentazocine	C[C@H]1[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2CC=C(C)C	InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
HMDB14792	Latanoprost	CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1	InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1
HMDB14795	Mecamylamine	CNC1(C)C2CCC(C2)C1(C)C	InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3
HMDB14794	Trazodone	ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1	InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
HMDB14797	Acamprosate	CC(=O)NCCCS(O)(=O)=O	InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)
HMDB14796	Sevelamer	NCC=C.ClCC1CO1	InChI=1S/C3H5ClO.C3H7N/c4-1-3-2-5-3;1-2-3-4/h3H,1-2H2;2H,1,3-4H2
HMDB00939	S-Adenosylhomocysteine	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O	InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
HMDB00930	trans-Cinnamic acid	OC(=O)\C=C\C1=CC=CC=C1	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
HMDB00932	Tauro-b-muricholic acid	[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)[C@H](CCC3C1[C@@H](O)[C@H]2O)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18?,19?,20+,22?,23+,24-,25-,26-/m1/s1
HMDB00933	Traumatic acid	OC(=O)CCCCCCCC\C=C\C(O)=O	InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+
HMDB00934	Uridine diphosphate acetylgalactosamine 4-sulfate	CC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](OS(=O)(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O)[C@H](O)CO	InChI=1S/C17H27N3O20P2S/c1-6(22)11(25)10(18)12(26)14(7(23)4-21)38-43(34,35)39-15-8(5-36-42(32,33)40-41(29,30)31)37-16(13(15)27)20-3-2-9(24)19-17(20)28/h2-3,7-8,10,12-16,21,23,26-27H,4-5,18H2,1H3,(H,32,33)(H,19,24,28)(H2,29,30,31)/t7-,8-,10+,12-,13-,14+,15-,16-/m1/s1
HMDB00935	Uridine diphosphate glucuronic acid	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
HMDB00936	Uroporphyrin I	OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(O)=O)/C(CC(O)=O)=C3CCC(O)=O	InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-
HMDB00937	Stigmasterol	CC[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
HMDB11451	PE(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,35,38,42H,3-10,12,14-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB11450	PE(P-18:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,38,41,45H,6-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,41-38-
HMDB11453	PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,35,38,42H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB11452	PE(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,35,38,42H,3-4,6,8-10,12,14-16,21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,20-18-,24-22-,38-35-/t42-/m1/s1
HMDB11455	PE(P-18:1(9Z)/22:1(13Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,37,40,44H,3-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,20-18-,40-37-/t44-/m1/s1
HMDB11454	PE(P-18:1(9Z)/22:0)	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,37,40,44H,3-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b20-18-,40-37-/t44-/m1/s1
HMDB11457	PE(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,37,40,44H,3-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB11456	PE(P-18:1(9Z)/22:2(13Z,16Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40,44H,3-10,12,14-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,40-37-/t44-/m1/s1
HMDB11459	PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB11458	PE(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,32,34,37,40,44H,3-10,12,14-16,21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB52771	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28-30,32-34,37,58H,4-6,8-9,11-15,17-18,22,26-27,31,35-36,38-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-29-,33-30-,37-34-
HMDB52770	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h9,12,18-19,21-22,27-28,30-31,37,40,56H,4-8,10-11,13-17,20,23-26,29,32-36,38-39,41-55H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,31-28-,40-37-
HMDB52773	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h7,10,14,16-17,19,21,23-26,28,30,33-34,37,58H,4-6,8-9,11-13,15,18,20,22,27,29,31-32,35-36,38-57H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,33-30-,37-34-
HMDB52772	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-21,23,25,27-29,31-33,36-37,40,57H,4-6,8-9,11-15,17,22,24,26,30,34-35,38-39,41-56H2,1-3H3/b10-7-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-
HMDB52775	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,33-35,37-38,43,46,59H,4-7,9-10,12-15,18,22-23,27,31-32,36,39-42,44-45,47-58H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-
HMDB52774	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,33-35,37-38,59H,4-7,9-10,12-15,18,22-23,27,31-32,36,39-58H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-
HMDB52777	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,61H,4-7,9-10,12-15,18,22-23,27,31,33,36,38,41,43-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-
HMDB52776	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,35,37,40,61H,4-7,9-10,12-15,18,22-23,27,31-34,36,38-39,41-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,40-37-
HMDB52779	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,36,57H,4-6,8,11,13-15,17,22,24,26,30,34-35,37-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-
HMDB52778	TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,48,51,61H,4-7,9-10,12-15,18,22-23,27,31,33,36,38,41,43-47,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,51-48-
HMDB14429	Acarbose	C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
HMDB14428	Clemastine	CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
HMDB14427	Pamidronate	NCCC(O)(P(O)(O)=O)P(O)(O)=O	InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
HMDB14426	Lidocaine	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C	InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
HMDB14425	Disopyramide	CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=N1)C(C)C	InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
HMDB14423	Argatroban	C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1NC[C@H](C)C2	InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15-,17+,18-/m1/s1
HMDB14421	Amsacrine	COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1	InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
HMDB14420	Olmesartan	CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(O)=O)C(C)(C)O	InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
HMDB38919	Plastochromanol 8	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CCC1(C)CCC2=CC(O)=C(C)C(C)=C2O1	InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-37-53(12)38-36-50-39-51(54)48(10)49(11)52(50)55-53/h21,23,25,27,29,31,33,35,39,54H,13-20,22,24,26,28,30,32,34,36-38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33-,47-35-
HMDB38918	Armillaritin	CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C1C(C=O)=CC1(O)CC(C)(C)CC21	InChI=1S/C23H28O6/c1-12-5-14(25)6-15(26)18(12)20(27)29-16-8-22(4)17-9-21(2,3)11-23(17,28)7-13(10-24)19(16)22/h5-7,10,16-17,19,25-26,28H,8-9,11H2,1-4H3
HMDB06472	Calcitroic acid	[H][C@@]12CC[C@H]([C@H](C)CC(O)=O)[C@@]1(C)CCC\C2=C/C=C1\C[C@@H](O)C[C@H](O)C1=C	InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7+/t14-,18-,19-,20+,21+,23-/m1/s1
HMDB06471	Methylisocitric acid	CC(O)(C(CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
HMDB51566	TG(22:1(13Z)/18:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,35,37,60H,4-16,18-19,22-23,27,30-34,36,38-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-35-
HMDB06478	Iso-Valeraldehyde	CC(C)CC=O	InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
HMDB38913	4,6-Decadiyn-1-ol	CCCC#CC#CCCCO	InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-3,8-10H2,1H3
HMDB38912	4-Glucogallic acid; b-D-pyranose-form	OCC1OC(O)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C13H16O10/c14-3-7-11(9(18)10(19)13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2
HMDB37783	Ganoderiol H	CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C30H50O5/c1-18(8-9-24(34)30(7,35)17-31)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22-24,31,33-35H,8-17H2,1-7H3
HMDB35880	(E)-2-O-Cinnamoyl-beta-D-glucopyranose	OCC1OC(O)C(OC(=O)\C=C\C2=CC=CC=C2)C(O)C1O	InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(15(20)21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+
HMDB58799	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-38,40-44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34,39,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB58798	CL(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,59,63,80-82,87H,5-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB35881	11-Hydroxy-9-tridecenoic acid	CCC(O)\C=C\CCCCCCCC(O)=O	InChI=1S/C13H24O3/c1-2-12(14)10-8-6-4-3-5-7-9-11-13(15)16/h8,10,12,14H,2-7,9,11H2,1H3,(H,15,16)/b10-8+
HMDB59188	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,40-43,48-49,51-52,59-60,63-64,81-83,88H,5-20,23-24,28-30,32,35,38-39,44-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB10416	TG(16:0/16:0/18:1(11Z))[iso3]	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19,22,50H,4-18,20-21,23-49H2,1-3H3/b22-19-/t50-/m1/s1
HMDB10417	TG(16:0/16:0/18:3(9Z,12Z,15Z))[iso3]	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,50H,4-6,8-9,11-15,17-18,20-24,27-49H2,1-3H3/b10-7-,19-16-,26-25-/t50-/m1/s1
HMDB10414	TG(16:0/14:0/18:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h24-25,48H,4-23,26-47H2,1-3H3/b25-24-/t48-/m1/s1
HMDB10415	TG(16:0/14:0/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,48H,4-15,17-18,20-23,26-47H2,1-3H3/b19-16-,25-24-/t48-/m1/s1
HMDB10412	TG(16:0/14:0/16:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-/t46-/m0/s1
HMDB10413	TG(16:0/14:0/18:0)[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m1/s1
HMDB10410	Resolvin E1	CCC(O)\C=C\C=C/CC(O)\C=C\C=C\C=C/C(O)CCCC(O)=O	InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-
HMDB10411	TG(16:0/14:0/16:0)[iso3]	[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
HMDB54320	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-6,8-9,11-15,22-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB12482	(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin	C[C@H](O)C(O)[C@@H]1CNC2=C(N1)C(=O)N=CN2	InChI=1S/C9H14N4O3/c1-4(14)7(15)5-2-10-8-6(13-5)9(16)12-3-11-8/h3-5,7,13-15H,2H2,1H3,(H2,10,11,12,16)/t4-,5-,7?/m0/s1
HMDB12481	(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate	CCCCCC(=O)CC[C@@H]1[C@@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m0/s1
HMDB12480	(4R,8R,12R)-Trimethyl-2E-tridecenoyl-CoA	CC(C)CCC[C@H](C)CCC[C@H](C)\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C37H64N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h13-14,21-26,30-32,36,47-48H,7-12,15-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b14-13+/t24-,25-,26+,30-,31-,32?,36+/m0/s1
HMDB12487	(S)-3-hydroxypalmitoleoyl-CoA	CCCCCC\C=C/CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h9-10,23-26,30-32,36,45,48-49H,4-8,11-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b10-9-/t25-,26+,30-,31-,32?,36+/m0/s1
HMDB12486	(R,S)-Norlaudanosoline	OC1=CC2=C(C=C1O)C(CC1=CC(O)=C(O)C=C1)NCC2	InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
HMDB12485	(R)-glycerol 1-acetate	CC(=O)OC[C@@H](O)CO	InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/t5-/m0/s1
HMDB12484	(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline	C[C@H]1N(C)CCC2=C1C=CC(O)=C2O	InChI=1S/C11H15NO2/c1-7-8-3-4-10(13)11(14)9(8)5-6-12(7)2/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m1/s1
HMDB58791	CL(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-45,50,54,62,66,81-83,88H,5-20,22-24,28-29,32,34-35,40,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58790	CL(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-44,48,56,60,79-81,86H,5-20,22-24,28-29,32,34-35,40,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB58793	CL(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB58858	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,42,44-47,51-52,56,59,63-64,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,48-50,53-55,57-58,60-62,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,51-47-,56-52-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB58792	CL(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB53808	TG(20:3n6/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,43,46,59H,4-15,17-18,20-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB53809	TG(20:3n6/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,62H,4-16,19,22-24,31-35,38,41-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-
HMDB56878	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-54,56-58,66,70,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,55,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB56879	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,58,62,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB53804	TG(20:3n6/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-39,45,48,60H,4-6,8-9,11-15,18,21-24,31-33,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB53805	TG(20:3n6/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-39,43,45-46,48,60H,4-6,8-9,11-15,18,21-24,31-33,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB53806	TG(20:3n6/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,38-41,43,47,50,62H,4-6,8-9,11-15,18,21-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB53807	TG(20:3n6/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-6,8-9,11-15,18,21-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB53800	TG(20:3n6/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,38-41,43,47,50,62H,4-15,18,21-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB53801	TG(20:3n6/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-15,18,21-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB53802	TG(20:3n6/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-34,36-37,43,46,58H,4-8,10-11,13-15,17,20,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB53803	TG(20:3n6/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-34,36-38,41,43,46,58H,4-8,10-11,13-15,17,20,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB58797	CL(18:2(9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-39,42-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,28-30,32,35,40-41,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB58796	CL(18:2(9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-35,40,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB05418	TG(20:0/20:1(11Z)/20:1(11Z))[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,60H,4-24,26,29,31-59H2,1-3H3/b28-25-,30-27-/t60-/m0/s1
HMDB05419	TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,43,46,60H,4-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,46-43-/t60-/m0/s1
HMDB05410	TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,31,56H,4-17,19-20,22-24,26,29-30,32-55H2,1-3H3/b21-18-,28-25-,31-27-/t56-/m1/s1
HMDB05411	TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,54H,4-15,17,20,22-24,26,29,31-53H2,1-3H3/b19-16-,21-18-,28-25-,30-27-/t54-/m0/s1
HMDB05412	TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31-32,34,40,43,56H,4-15,17,20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB05413	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-15,18,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m1/s1
HMDB05414	TG(20:0/20:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB05415	TG(20:0/20:0/20:1(11Z))[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-/t60-/m0/s1
HMDB05416	TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,43,46,60H,4-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,37-34-,46-43-/t60-/m0/s1
HMDB48407	TG(14:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,51H,4-7,9-10,12-14,16,19,21-24,26,28-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-
HMDB35887	Germacrenone	CC1CCC(CC\C(C)=C/CC1=O)C(C)(C)O	InChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6,12-13,17H,5,7-10H2,1-4H3/b11-6-
HMDB03712	(2E)-Dodecenoyl-CoA	CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)([O-])[O-])N1C=NC2=C1N=CN=C2N	InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b13-12+/t22-,26-,27-,28+,32-/m1/s1
HMDB00169	D-Mannose	OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
HMDB00168	L-Asparagine	N[C@@H](CC(N)=O)C(O)=O	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
HMDB00163	D-Maltose	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-,11+,12-/m1/s1
HMDB00162	L-Proline	OC(=O)[C@@H]1CCCN1	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
HMDB00161	L-Alanine	C[C@H](N)C(O)=O	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
HMDB00167	L-Threonine	C[C@@H](O)[C@H](N)C(O)=O	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
HMDB00164	Methylamine	CN	InChI=1S/CH5N/c1-2/h2H2,1H3
HMDB35552	6,8-Hexacosanedione	CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C26H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-6-4-2/h3-24H2,1-2H3
HMDB35553	5,7-Hexacosanedione	CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC	InChI=1S/C26H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(28)24-25(27)22-6-4-2/h3-24H2,1-2H3
HMDB35550	10,12-Hexacosanedione	CCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C26H50O2/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-26(28)24-25(27)22-20-18-16-10-8-6-4-2/h3-24H2,1-2H3
HMDB01414	Putrescine	NCCCCN	InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
HMDB57009	CL(18:0/18:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,36,40,43,50,54,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB01416	Pantetheine 4'-phosphate	CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NCCS	InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)
HMDB35551	7,9-Hexacosanedione	CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC	InChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-8-6-4-2/h3-24H2,1-2H3
HMDB01410	2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine	CC(=O)C(=O)C1=NC2=C(N=C(N)NC2=O)N(O)C1O	InChI=1S/C9H9N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h8,18-19H,1H3,(H3,10,12,13,17)
HMDB01411	Cotinine N-oxide	CN1[C@@H](CCC1=O)C1=C[N+]([O-])=CC=C1	InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
HMDB01412	7,8-Dihydropteroic acid	NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(O)=O)CN2)C(=O)N1	InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)
HMDB01413	Citicoline	C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O	InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1
HMDB57000	CL(18:0/18:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C82H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,37,41,76-78,83H,5-24,26-28,30-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,41-37-/t76?,77-,78-/m1/s1
HMDB35556	7,9-Pentacosanedione	CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC	InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-8-6-4-2/h3-23H2,1-2H3
HMDB57002	CL(18:0/18:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,37,41,76-78,83H,5-24,26-27,30-31,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,41-37-/t76?,77-,78-/m1/s1
HMDB57003	CL(18:0/18:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,36-37,40-41,76-78,83H,5-24,26-28,30-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57004	CL(18:0/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,29-30,37-38,41-42,77-79,84H,5-24,27-28,31-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB01419	24-Hydroxycholesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C	InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
HMDB57006	CL(18:0/18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB35557	6,8-Pentacosanedione	CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C25H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h3-23H2,1-2H3
HMDB38702	Trilobinol	CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C=C2O	InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,18,21-22H,6-8H2,1-5H3
HMDB38703	Carissic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C)C(O)=O	InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)
HMDB31558	Methyloxirane	CC1CO1	InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
HMDB31559	4-Methyl-2,3-pentanedione	CC(C)C(=O)C(C)=O	InChI=1S/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3
HMDB31556	Isononane	CCCCCCC(C)C	InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
HMDB31557	4-Methyloctanoic acid	CCCCC(C)CCC(O)=O	InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
HMDB31554	Sucralose	OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl	InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2
HMDB31555	Maesopsin 6-glucoside	OCC1OC(OC2=CC(O)=C3C(OC(O)(CC4=CC=C(O)C=C4)C3=O)=C2)C(O)C(O)C1O	InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-11-5-12(24)15-13(6-11)32-21(29,19(15)28)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2
HMDB31552	Dihydrocurcumin	COC1=CC(\C=C\C(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O.COC1=CC(\C=C\C(\O)=C\C(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/2C21H22O6/c2*1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3,5-7,9-12,24-25H,4,8,13H2,1-2H3;3,5-7,9-13,22,24-25H,4,8H2,1-2H3/b7-3+;7-3+,16-13-
HMDB31553	6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran	CC(O)C1=CC=C2OC(C)(C)C=CC2=C1	InChI=1S/C13H16O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-9,14H,1-3H3
HMDB31550	5-Methyl-3-hexen-2-one	CC(C)\C=C/C(C)=O	InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4-
HMDB31551	5-Methyl-5-hexen-2-one	CC(=C)CCC(C)=O	InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3
HMDB59006	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(101-84(89)71-67-63-59-55-51-47-41-38-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-38,41-43,45-46,52-53,56-57,78-80,85H,5-20,23-24,29-30,35,39-40,44,47-51,54-55,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,41-38-,45-42-,46-43-,56-52-,57-53-/t78?,79-,80-/m1/s1
HMDB35248	2,6-Dimethylpyrazine	CC1=CN=CC(C)=N1	InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
HMDB35249	1(10),4,11(13)-Germacratrien-12,6-olid-14-oic acid; (1(10)Z,4E,6a)-form, b-D-Glucopyranosyl ester	C\C1=C\C2OC(=O)C(=C)C2CC\C(=C/CC1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8-,12-5+
HMDB35246	3,7-Dimethyl-3-octanol	CCC(C)(O)CCCC(C)C	InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
HMDB35247	Isomasticadienonic acid	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3	InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+
HMDB35244	Tetrahydro-2-methylthiophen-3-ol	CC1SCCC1O	InChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
HMDB35245	1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one	CCC(=O)\C=C\C1C(C)=CCCC1(C)C	InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
HMDB35242	(S,E)-Filbertone	CCC(C)C(=O)\C=C/C	InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4-
HMDB35243	1-Phenyl-1,2-propanedione	CC(=O)C(=O)C1=CC=CC=C1	InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
HMDB35240	Dihydroactinidiolide	CC12CCCC(C)(C)C1=CC(=O)O2	InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
HMDB35241	(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol	C\C(CO)=C/CCC(=C)C=C	InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+
HMDB33187	2,12-Tetradecadiene-4,6,8,10-tetrayne	C\C=C/C#CC#CC#CC#C\C=C/C	InChI=1S/C14H10/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-6H,1-2H3/b5-3-,6-4-
HMDB02145	4-cis-Decenoyl-CoA	CCCCC\C=C\CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8+/t20-,24-,25-,26+,30-/m1/s1
HMDB02144	1,3-Dimethyluracil	CN1C=CC(=O)N(C)C1=O	InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
HMDB02142	Phosphoric acid	OP(O)(O)=O	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
HMDB02141	N-Methyl-a-aminoisobutyric acid	CNC(C)(C)C(O)=O	InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
HMDB33186	Annoglacin A	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-14-17-23-33(40)35-25-26-36(44-35)34(41)24-19-18-21-31(38)20-15-12-11-13-16-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3
HMDB02149	3 Hydroxycoumarin	OC1=CC2=CC=CC=C2OC1=O	InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
HMDB02148	5-Methyltetrahydropteroylpentaglutamate	CN1C(CNC2=CC=C(C=C2)C(=O)N(C(=O)CC[C@H](N)C(O)=O)[C@](C(CC(O)=O)C(=O)CC[C@H](N)C(O)=O)(C(=O)CC[C@H](N)C(O)=O)C(=O)OC(=O)CC[C@H](N)C(O)=O)CNC2=C1C(=O)N=C(N)N2	InChI=1S/C40H53N11O18/c1-50-19(16-47-31-30(50)32(58)49-39(45)48-31)15-46-18-4-2-17(3-5-18)33(59)51(27(54)12-8-23(43)36(64)65)40(26(53)11-7-22(42)35(62)63,38(68)69-29(57)13-9-24(44)37(66)67)20(14-28(55)56)25(52)10-6-21(41)34(60)61/h2-5,19-24,46H,6-16,41-44H2,1H3,(H,55,56)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H4,45,47,48,49,58)/t19?,20?,21-,22-,23-,24-,40+/m0/s1
HMDB59007	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-44-41-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,42-44,46-48,53-54,56-58,60,79-81,86H,5-20,24,29-31,39-41,45,49-52,55,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,46-42-,47-43-,48-44-,57-53-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB58426	CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,35,37-39,41-42,77-79,84H,5-24,27,31,33-34,36,40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,32-28-,39-35-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB57918	CL(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,27,29,31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57919	CL(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-20,22-24,27-29,31-32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57912	CL(18:1(11Z)/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-27,29-31,37-38,41-42,77-79,84H,5-24,28,32-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB57913	CL(18:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37,42,44,52,56,77-79,84H,5-20,22-24,27-29,31-32,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57910	CL(18:1(11Z)/18:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,37,41,76-78,83H,5-24,27,31,33-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,32-28-,41-37-/t76?,77-,78-/m1/s1
HMDB57911	CL(18:1(11Z)/18:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,40-41,76-78,83H,5-24,27-28,31-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57916	CL(18:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,28-30,32,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB57917	CL(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37,39-40,46,50,58,62,79-81,86H,5-20,22-24,27-29,31-32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57914	CL(18:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,37,42,44,52,56,77-79,84H,5-20,22-24,27,29,31,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57915	CL(18:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,36-37,41-42,44,52,56,77-79,84H,5-20,22-24,27-29,31-32,34-35,38-40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB59004	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-37,41-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,29-30,35,38-40,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,44-41-,45-42-,55-51-,56-52-/t77?,78-,79-/m1/s1
HMDB46703	TG(22:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,33,35,40,43,63H,4-6,8-9,11-14,17,20-23,26,29-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,35-33-,43-40-
HMDB46702	TG(22:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,36,38,44,47,61H,4-7,9-10,12-14,16,19,21-23,25,28,30-35,37,39-43,45-46,48-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,38-36-,47-44-
HMDB33189	Isomucronulatol	COC1=C(OC)C(O)=C(C=C1)C1COC2=CC(O)=CC=C2C1	InChI=1S/C17H18O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
HMDB33188	3-Amino-1-methyl-5H-pyrido[4,3-b]indole	CC1=NC(N)=CC2=C1C1=CC=CC=C1N2	InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)
HMDB59002	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB30201	(-)-Fumigaclavine B	CC1CN(C)C2CC3=CNC4=C3C(=CC=C4)C2C1O	InChI=1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3
HMDB30200	Hovenine A	CCC(C)C(NC)C(=O)NC1C(OC2=CC=C(C=C2)\C=C/NC(=O)C(CC(C)C)NC1=O)C(C)C	InChI=1S/C27H42N4O4/c1-8-18(6)22(28-7)26(33)31-23-24(17(4)5)35-20-11-9-19(10-12-20)13-14-29-25(32)21(15-16(2)3)30-27(23)34/h9-14,16-18,21-24,28H,8,15H2,1-7H3,(H,29,32)(H,30,34)(H,31,33)/b14-13-
HMDB30203	Fumitremorgin B	COC1=CC2=C(C=C1)C1=C(C(C=C(C)C)N3C(=O)C4CCCN4C(=O)C3(O)C1O)N2CC=C(C)C	InChI=1S/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3
HMDB30202	Fumigaclavine A	CC1CN(C)C2CC3=CNC4=C3C(=CC=C4)C2C1OC(C)=O	InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3
HMDB30205	Jubanine A	CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=CC=C2)N(C)C)OC2=CC(\C=C/NC1=O)=C(OC)C=C2	InChI=1S/C40H49N5O6/c1-6-26(2)35-38(47)41-21-19-29-25-30(17-18-33(29)50-5)51-34-20-22-45(36(34)39(48)43-35)40(49)31(23-27-13-9-7-10-14-27)42-37(46)32(44(3)4)24-28-15-11-8-12-16-28/h7-19,21,25-26,31-32,34-36H,6,20,22-24H2,1-5H3,(H,41,47)(H,42,46)(H,43,48)/b21-19-
HMDB30204	1-(2-Furanylmethyl)-1H-pyrrole	C(N1C=CC=C1)C1=CC=CO1	InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
HMDB30207	Koenigine	COC1=C(O)C=C2NC3=C(C=C(C)C4=C3C=CC(C)(C)O4)C2=C1	InChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3
HMDB30206	Jubanine B	COC1=C2C=C(OC3CCN(C3C(=O)NC(CC3=CC=CC=C3)C(=O)N\C=C\2)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=CC=C2)N(C)C)C=C1	InChI=1S/C43H47N5O6/c1-47(2)36(27-31-17-11-6-12-18-31)41(50)46-35(26-30-15-9-5-10-16-30)43(52)48-24-22-38-39(48)42(51)45-34(25-29-13-7-4-8-14-29)40(49)44-23-21-32-28-33(54-38)19-20-37(32)53-3/h4-21,23,28,34-36,38-39H,22,24-27H2,1-3H3,(H,44,49)(H,45,51)(H,46,50)/b23-21+
HMDB30209	Koenine	CC1=CC2=C(NC3=CC=C(O)C=C23)C2=C1OC(C)(C)C=C2	InChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3
HMDB30208	Koenigicine	COC1=C(OC)C=C2C(NC3=C2C=C(C)C2=C3C=CC(C)(C)O2)=C1	InChI=1S/C20H21NO3/c1-11-8-14-13-9-16(22-4)17(23-5)10-15(13)21-18(14)12-6-7-20(2,3)24-19(11)12/h6-10,21H,1-5H3
HMDB40215	cis-3-Hexenyl acetate	CC\C=C/CCOC(C)=O	InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
HMDB40214	cis-3-Hexenyl formate	CC\C=C/CCOC=O	InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
HMDB40217	3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-ol	CC1=C(O)C(C)=C2CCC(C)(C)OC2=C1C	InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
HMDB40216	2,6,6-Trimethyl-2-cyclohexene-1,4-dione	CC1=CC(=O)CC(C)(C)C1=O	InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
HMDB40211	Butyl hexanoate	CCCCCC(=O)OCCCC	InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
HMDB40210	2-Propenyl hexanoate	CCCCCC(=O)OCC=C	InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
HMDB40213	cis-3-Hexenyl isobutyrate	CC\C=C/CCOC(=O)C(C)C	InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
HMDB40212	2-Hexenyl acetate	CCC\C=C\COC(C)=O	InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
HMDB59003	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,39-40,43-44,49-50,53-54,75-77,82H,5-20,23-24,29-30,37-38,41-42,45-48,51-52,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,43-39-,44-40-,53-49-,54-50-/t76-,77-/m1/s1
HMDB40219	8,8-Dimethoxy-2,6-dimethyl-2-octanol	COC(CC(C)CCCC(C)(C)O)OC	InChI=1S/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3
HMDB40218	2-Phenoxyethyl isobutyrate	CC(C)C(=O)OCCOC1=CC=CC=C1	InChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
HMDB33954	Juzirine	COC1=CC2=C(C=C1O)C(CC1=CC=C(O)C=C1)=NC=C2	InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3
HMDB33955	Acesulfame K	[K+].CC1=CC(=O)NS(=O)(=O)O1	InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1
HMDB33956	Dichlorvos	COP(=O)(OC)OC=C(Cl)Cl	InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
HMDB33957	Crithmumdiol	CCCCCCC\C=C\C(O)C#C\C=C\C(O)C=C	InChI=1S/C17H26O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10-11,13-14,16-19H,2-3,5-9H2,1H3/b13-11+,14-10+
HMDB33950	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-5-(1-propenyl)benzofuran; (7'S,8'S)-form, 3'-Me ether	COC1=CC(=CC=C1O)C1OC2=C(C=C(\C=C\C)C=C2)C1C	InChI=1S/C19H20O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4-12,19-20H,1-3H3/b5-4+
HMDB33951	Racemethionine	CSCCC(N)C(O)=O	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
HMDB33952	Gyromitrin	C\C=N/N(C)C=O	InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3-
HMDB33953	Silicristin	COC1=C(O)C=CC(=C1)C1OC2=C(O)C=C(C=C2C1CO)C1OC2=CC(O)=CC(O)=C2C(=O)C1O	InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3
HMDB33958	2-Deoxy-L-ribono-1,4-lactone	OCC1OC(=O)CC1O	InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2
HMDB33959	Isopiperolein B	O=C(CCCCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCC1	InChI=1S/C21H29NO3/c23-21(22-14-8-9-15-22)11-7-5-3-1-2-4-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+
HMDB59000	CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,45,47-48,52,55,59-60,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB51420	TG(22:1(13Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-
HMDB51421	TG(22:1(13Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,39,42,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,42-39-
HMDB51422	TG(22:1(13Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,39-36-
HMDB51423	TG(22:1(13Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,36,39,44,47,58H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,39-36-,47-44-
HMDB51424	TG(22:1(13Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,55H,4-23,25,27-54H2,1-3H3/b26-24-
HMDB51425	TG(22:1(13Z)/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-
HMDB08158	PC(18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h15,17,20-22,28,48H,6-14,16,18-19,23-27,29-47H2,1-5H3/b17-15-,22-20-,28-21-/t48-/m1/s1
HMDB08159	PC(18:2(9Z,12Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,34,37,41H,6-13,15,17-19,21,23-33,35-36,38-40H2,1-5H3/b16-14-,22-20-,37-34-
HMDB08156	PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29,31,35,37,46H,6-7,9,11-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
HMDB08157	PC(18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h15,17,21,28,48H,6-14,16,18-20,22-27,29-47H2,1-5H3/b17-15-,28-21-/t48-/m1/s1
HMDB08154	PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29,31,35,37,46H,6-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
HMDB08155	PC(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29,31,46H,6-7,9,11-13,18-19,23,27-28,30,32-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
HMDB08152	PC(18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,26,46H,6-13,18-19,23-25,27-45H2,1-5H3/b16-14-,17-15-,22-20-,26-21-/t46-/m1/s1
HMDB08153	PC(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29,31,46H,6-13,18-19,23,27-28,30,32-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
HMDB08150	PC(18:2(9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h15,17,21,26,46H,6-14,16,18-20,22-25,27-45H2,1-5H3/b17-15-,26-21-/t46-/m1/s1
HMDB08151	PC(18:2(9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h15,17,20-22,26,46H,6-14,16,18-19,23-25,27-45H2,1-5H3/b17-15-,22-20-,26-21-/t46-/m1/s1
HMDB55510	TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-34,36,38-41,43,60H,4-6,13-15,22-24,30,32,35,37,42,44-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-
HMDB55511	TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-34,36,38-41,43,47,50,60H,4-6,13-15,22-24,30,32,35,37,42,44-46,48-49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,50-47-
HMDB55512	TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,35,37,40,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-
HMDB54763	TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-35,37-38,43-44,46-47,66H,4-6,8-9,11-15,18,21-24,31-33,36,39-42,45,48-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB55514	TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-38,41,43,46,58H,4-6,13-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB55515	TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H90O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-38,41-43,45-46,58H,4-6,13-15,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB55516	TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-6,13-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB55517	TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H92O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-6,13-15,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB55518	TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB55519	TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-33,37-42,58H,4-6,13-15,22-24,29,34-36,43-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-
HMDB54769	TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-
HMDB42024	tectorigenin	COC1=C(O)C2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O	InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
HMDB42025	terodiline hydrochloride	Cl.CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C)(C)C	InChI=1S/C20H27N.ClH/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,16,19,21H,15H2,1-4H3;1H
HMDB59165	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-51,55-58,60-63,67-68,70,72,74,89-91,96H,5-8,12,16-20,29-32,41-43,47,52-54,59,64-66,69,71,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB42026	tertatolol	CC(C)(C)NCC(O)COC1=CC=CC2=C1SCCC2	InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
HMDB53040	TG(18:3(6Z,9Z,12Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,33,39,42,59H,4-17,19-20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b21-18-,28-25-,33-27-,42-39-
HMDB42027	tetracosactrin	[H][C@](N)(CO)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CCSC)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC1=CN=CN1)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=NCC(O)=N[C@@]([H])(CCCCN)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(C(C)C)C(O)=NCC(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CCCNC(N)=N)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(C(C)C)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(C(C)C)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@]1([H])C(O)=O	InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1
HMDB53041	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,34-35,40-41,43-44,60H,4-16,19,22-24,29-33,36-39,42,45-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,44-41-
HMDB42020	talinolol	CC(C)(C)NCC(O)COC1=CC=C(NC(O)=NC2CCCCC2)C=C1	InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
HMDB53042	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,35,41,44,61H,4-13,15-16,19-20,22,24,29-34,36-40,42-43,45-60H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,35-27-,44-41-
HMDB48045	TG(14:1(9Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,55H,4-14,16-17,19-23,25,27-54H2,1-3H3/b18-15-,26-24-
HMDB53043	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,40,42,45,62H,4-16,19,22-24,30-35,38-39,41,43-44,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-
HMDB42022	tamsulosin hydrochloride	Cl.[H][C@@](C)(CC1=CC(=C(OC)C=C1)S(N)(=O)=O)NCCOC1=CC=CC=C1OCC	InChI=1S/C20H28N2O5S.ClH/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);1H/t15-;/m1./s1
HMDB53044	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36-37,40,42,45-46,49,62H,4-16,19,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB59164	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-51,55-58,60-63,67-68,72,89-91,96H,5-8,12,16-20,29-32,41-43,47,52-54,59,64-66,69-71,73-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-/t89?,90-,91-/m1/s1
HMDB42023	taxotere	[H][C@](O)(C(=O)O[C@@]1([H])C[C@@]2(O)[C@@]([H])(OC(=O)C3=CC=CC=C3)C3([H])[C@@]4(CO[C@]4([H])C[C@]([H])(O)[C@@]3(C)C(=O)[C@]([H])(O)C(=C1C)C2(C)C)OC(C)=O)[C@@]([H])(N=C(O)OC(C)(C)C)C1=CC=CC=C1	InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33?,35-,41+,42-,43+/m0/s1
HMDB53045	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,44,47,64H,4-16,19,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-,47-44-
HMDB48048	TG(14:1(9Z)/24:1(15Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,56H,4-14,16-17,19,21-22,25,27-55H2,1-3H3/b18-15-,23-20-,26-24-
HMDB53046	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-
HMDB41699	6-Hydroxyenterodiol	[H]OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])O[H])C([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C(O[H])=C([H])C([H])=C1O[H]	InChI=1S/C18H22O5/c19-10-14(6-12-2-1-3-16(21)7-12)15(11-20)8-13-9-17(22)4-5-18(13)23/h1-5,7,9,14-15,19-23H,6,8,10-11H2
HMDB48049	TG(14:1(9Z)/24:1(15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,24-26,32,56H,4-14,16-17,19-23,27-31,33-55H2,1-3H3/b18-15-,26-24-,32-25-
HMDB53047	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,42,44-45,47,51,54,64H,4-16,19,22-24,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-
HMDB36203	2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol	CCOC1=CC(=CC=C1O)C1OCC(C)O1	InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3
HMDB36202	Alkhanin	CC1C2CCC3(C)C(O)CC(=O)C(C)=C3C2OC1=O	InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9,11,13,17H,4-6H2,1-3H3
HMDB36201	2,7,10-Bisabolatrien-9-one; (Z)-form, 10,11-Dihydro	CC(C)=CC(=O)\C=C(\C)C1CCC(C)=CC1	InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3/b13-10-
HMDB36200	(R)-2,5,11-Bisabolatriene	CC(CCCC(C)=C)C1=CCC(C)=CC1	InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8,11,14H,1,5-7,9-10H2,2-4H3
HMDB36207	alpha-Amylcinnamyl acetate	CCCCC\C(COC(C)=O)=C\C1=CC=CC=C1	InChI=1S/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12-
HMDB36206	alpha-Amylcinnamyl formate	CCCCC\C(COC=O)=C\C1=CC=CC=C1	InChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-
HMDB36205	alpha-Amylcinnamyl isovalerate	CCCCC\C(COC(=O)CC(C)C)=C\C1=CC=CC=C1	InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14-
HMDB36204	2-Hydroxypropanethioic acid; SH-form, O-Ac, S-Me ester	CSC(=O)C(C)OC(C)=O	InChI=1S/C6H10O3S/c1-4(6(8)10-3)9-5(2)7/h4H,1-3H3
HMDB36209	Propyl 2-methylpropanoate	CCCOC(=O)C(C)C	InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
HMDB36208	2-Propenyl 2-ethylbutanoate	CCC(CC)C(=O)OCC=C	InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
HMDB42109	TG(14:0/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,49H,4-15,17-18,20-23,26,29-48H2,1-3H3/b19-16-,25-24-,28-27-
HMDB42108	TG(14:0/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-29-23-20-17-14-11-8-5-2/h13,16,22,24,48H,4-12,14-15,17-21,23,25-47H2,1-3H3/b16-13-,24-22-
HMDB46915	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,51,54,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-,54-51-
HMDB58275	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-53,57,61-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-/t87?,88-,89-/m1/s1
HMDB58272	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB58273	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,49,52-54,56,58,61,65,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47-48,50-51,55,57,59-60,62-64,66-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-/t85?,86-,87-/m1/s1
HMDB29038	Serinyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CO)C(O)=O	InChI=1S/C8H14N2O6/c9-4(1-2-6(12)13)7(14)10-5(3-11)8(15)16/h4-5,11H,1-3,9H2,(H,10,14)(H,12,13)(H,15,16)/p-1
HMDB29039	Serinyl-Glycine	NCC(=O)NC(CO)C(O)=O	InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)
HMDB45654	TG(20:0/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,38,41,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-63H2,1-3H3/b11-8-,20-17-,29-26-,41-38-
HMDB45655	TG(20:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,38,41,47,50,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-
HMDB45652	TG(20:0/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-
HMDB45653	TG(20:0/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,42,45,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,36-27-,45-42-
HMDB45650	TG(20:0/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,66H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,29-26-,38-35-,47-44-
HMDB45651	TG(20:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,44,47,53,56,66H,4-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,29-26-,38-35-,47-44-,56-53-
HMDB29030	Prolyl-Valine	CC(C)C(N)C(=O)N1CCCC1C(O)=O	InChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)
HMDB29031	Prolyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)N1CCCC1C(O)=O	InChI=1S/C10H17N3O4/c11-6(3-4-8(12)14)9(15)13-5-1-2-7(13)10(16)17/h6-7H,1-5,11H2,(H2,12,14)(H,16,17)
HMDB29032	Serinyl-Alanine	CC(N)C(=O)NC(CO)C(O)=O	InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)
HMDB29033	Serinyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CO)C(O)=O	InChI=1S/C9H19N5O4/c10-5(2-1-3-13-9(11)12)7(16)14-6(4-15)8(17)18/h5-6,15H,1-4,10H2,(H,14,16)(H,17,18)(H4,11,12,13)
HMDB29034	Serinyl-Asparagine	NC(CC(N)=O)C(=O)NC(CO)C(O)=O	InChI=1S/C7H13N3O5/c8-3(1-5(9)12)6(13)10-4(2-11)7(14)15/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)
HMDB29035	Serinyl-Aspartate	NC(CC(O)=O)C(=O)NC(CO)C(O)=O	InChI=1S/C7H12N2O6/c8-3(1-5(11)12)6(13)9-4(2-10)7(14)15/h3-4,10H,1-2,8H2,(H,9,13)(H,11,12)(H,14,15)
HMDB29036	Serinyl-Cysteine	NC(CS)C(=O)NC(CO)C(O)=O	InChI=1S/C6H12N2O4S/c7-3(2-13)5(10)8-4(1-9)6(11)12/h3-4,9,13H,1-2,7H2,(H,8,10)(H,11,12)
HMDB29037	Serinyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CO)C(O)=O	InChI=1S/C8H15N3O5/c9-4(1-2-6(10)13)7(14)11-5(3-12)8(15)16/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)
HMDB13534	PGP(18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O	InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39-40,43H,3-16,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b19-17-/t39-,40+/m0/s1
HMDB13535	PGP(18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39-40,43H,3-13,15,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b16-14-,19-17-/t39-,40+/m0/s1
HMDB13536	PGP(18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43H,3-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b19-17-,20-18-/t39-,40+/m0/s1
HMDB13537	PGP(18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,39-40,43H,3-11,13,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB13530	PGP(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,43-44,47H,3-4,6,8-10,12,15,18,20,23-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-/t43-,44+/m0/s1
HMDB13531	PGP(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,43-44,47H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1
HMDB13532	PGP(18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O	InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1
HMDB13533	PGP(18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41H,3-13,15,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b16-14-,18-17-/t37-,38+/m0/s1
HMDB13538	PGP(18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,39-40,43H,3-11,13,15-16,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1
HMDB13539	PGP(18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,39-40,43H,3-5,7,9-11,13,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-6-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB46919	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,47,50,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB30988	5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid	CC(C)CC1CC(C(O)=O)C(=O)O1	InChI=1S/C9H14O4/c1-5(2)3-6-4-7(8(10)11)9(12)13-6/h5-7H,3-4H2,1-2H3,(H,10,11)
HMDB30989	5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid	CCCCCC1CC(C(O)=O)C(=O)O1	InChI=1S/C10H16O4/c1-2-3-4-5-7-6-8(9(11)12)10(13)14-7/h7-8H,2-6H2,1H3,(H,11,12)
HMDB58278	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB30982	6-Ketomyristic acid	CCCCCCCCC(=O)CCCCC(O)=O	InChI=1S/C14H26O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h2-12H2,1H3,(H,16,17)
HMDB30983	5-(8-Pentadecenyl)-1,3-benzenediol	CCCCCC\C=C\CCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7+
HMDB30980	10-Oxooctadecanoic acid	CCCCCCCCC(=O)CCCCCCCCC(O)=O	InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
HMDB30981	11-Oxooctadecanoic acid	CCCCCCCC(=O)CCCCCCCCCC(O)=O	InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
HMDB30986	2-Carboxy-5,7-dimethyl-4-octanolide	CC(C)CC(C)C1CC(C(O)=O)C(=O)O1	InChI=1S/C11H18O4/c1-6(2)4-7(3)9-5-8(10(12)13)11(14)15-9/h6-9H,4-5H2,1-3H3,(H,12,13)
HMDB30987	2-Carboxy-4-dodecanolide	CCCCCCCCC1CC(C(O)=O)C(=O)O1	InChI=1S/C13H22O4/c1-2-3-4-5-6-7-8-10-9-11(12(14)15)13(16)17-10/h10-11H,2-9H2,1H3,(H,14,15)
HMDB30984	5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid	CCCCCCC1CC(C(O)=O)C(=O)O1	InChI=1S/C11H18O4/c1-2-3-4-5-6-8-7-9(10(12)13)11(14)15-8/h8-9H,2-7H2,1H3,(H,12,13)
HMDB30985	alpha-Carboxy-delta-decalactone	CCCCCC1CCC(C(O)=O)C(=O)O1	InChI=1S/C11H18O4/c1-2-3-4-5-8-6-7-9(10(12)13)11(14)15-8/h8-9H,2-7H2,1H3,(H,12,13)
HMDB44347	TG(16:0/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,35,38,54H,4-15,18,21-24,28,31-32,34,36-37,39-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,38-35-
HMDB10482	TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,54H,4-6,8-9,11-15,18,21-24,31-53H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-/t54-/m0/s1
HMDB44346	TG(16:0/20:3n6/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,34,55H,4-15,17-18,21-22,24,26,29,32-33,35-54H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,34-31-
HMDB36975	Muricin D	CCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C33H60O7/c1-3-4-5-10-15-18-29(35)30(36)20-21-31(37)32-22-19-28(40-32)17-14-12-9-7-6-8-11-13-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3
HMDB36974	Muricin E	CCCCCCCC(O)C(O)CCCCCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C33H60O7/c1-3-4-5-7-13-18-29(35)30(36)19-14-10-15-20-31(37)32-22-21-28(40-32)17-12-9-6-8-11-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3
HMDB36977	Muricin A	CCCCCC(O)C(O)CCCCCCC(O)C1CCC(CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H64O7/c1-3-4-13-20-31(37)32(38)21-16-11-12-17-22-33(39)34-24-23-30(42-34)19-15-10-8-6-5-7-9-14-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB36976	Muricin C	CCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H64O7/c1-3-4-5-12-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-14-11-9-7-6-8-10-13-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB36971	5',6'-Epoxy-5',6'-dihydro-beta,beta-caroten-3-ol	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CCCC2(C)C	InChI=1S/C40H56O2/c1-30(18-13-20-32(3)22-23-36-34(5)28-35(41)29-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-27-40-38(8,9)25-15-26-39(40,10)42-40/h11-14,16-24,27,35,41H,15,25-26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,23-22+,27-24+,30-16+,31-17+,32-20+,33-21+
HMDB36970	Garcimangosone B	COC1=CC2=C(C(=O)C3=C(O2)C=C2OC(C)(C)C=CC2=C3O)C2=C1OC(C)(C)CC2	InChI=1S/C24H24O6/c1-23(2)8-6-12-14(29-23)10-16-19(20(12)25)21(26)18-13-7-9-24(3,4)30-22(13)17(27-5)11-15(18)28-16/h6,8,10-11,25H,7,9H2,1-5H3
HMDB36973	Muricin G	CCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h10-11,25,27,29-34,36-39H,3-9,12-24,26H2,1-2H3/b11-10-
HMDB36972	Muricin F	CCCCC(O)C(O)C\C=C/CCC(O)C1CCC(CCCCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H62O7/c1-3-4-20-31(37)32(38)21-16-13-17-22-33(39)34-24-23-30(42-34)19-15-12-10-8-6-5-7-9-11-14-18-29(36)26-28-25-27(2)41-35(28)40/h13,16,25,27,29-34,36-39H,3-12,14-15,17-24,26H2,1-2H3/b16-13-
HMDB46301	TG(22:0/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-
HMDB46300	TG(22:0/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,36,38,55H,4-7,9-10,12-16,18-19,21-25,27-30,32-35,37,39-54H2,1-3H3/b11-8-,20-17-,31-26-,38-36-
HMDB46303	TG(22:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,37,40,59H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-37-
HMDB46302	TG(22:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,43,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41-42,44-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,43-40-
HMDB36979	6,8-Dihydroxy-7(11)-eremophilen-12,8-olide; (6b,8bOH)-form, 8-Me ether	COC12CC3CCCC(C)C3(C)C(O)C1=C(C)C(=O)O2	InChI=1S/C16H24O4/c1-9-6-5-7-11-8-16(19-4)12(10(2)14(18)20-16)13(17)15(9,11)3/h9,11,13,17H,5-8H2,1-4H3
HMDB36978	Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate)	COC1=CC(=CC=C1O)C1C(C2C1C(=O)OCC1(OC3OC(CO)C(O)C(O)C3O)OC(CO)C(OC2=O)C1O)C1=CC(OC)=C(O)C=C1	InChI=1S/C32H38O17/c1-43-16-7-12(3-5-14(16)35)20-21(13-4-6-15(36)17(8-13)44-2)23-22(20)29(41)45-11-32(28(40)27(47-30(23)42)19(10-34)48-32)49-31-26(39)25(38)24(37)18(9-33)46-31/h3-8,18-28,31,33-40H,9-11H2,1-2H3
HMDB46307	TG(22:0/16:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB46306	TG(22:0/16:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB43768	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,41,44,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-
HMDB43769	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-6,9,12-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-
HMDB43764	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-7,9-10,12-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-
HMDB43765	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37,55H,4-6,9,12-15,18,21-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-
HMDB43766	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,36-37,39,55H,4-6,9,12-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-
HMDB43767	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-6,9,12-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-
HMDB43760	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-
HMDB43761	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,35-36,39,41,44,57H,4-6,8-9,11-15,18,21-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-
HMDB43762	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,38,41,59H,4-7,9-10,12-15,18,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,41-38-
HMDB43763	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,40-41,59H,4-7,9-10,12-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-
HMDB47658	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,39,45,48,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-35-,48-45-
HMDB47659	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB47654	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,39,42,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-,42-39-
HMDB47655	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,41,44,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,44-41-
HMDB47656	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,43,46,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-,46-43-
HMDB47657	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,34,37-38,43,46,64H,4-7,9-10,12-16,18-19,21-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,38-27-,46-43-
HMDB47650	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB47651	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB47652	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,47,50,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-
HMDB47653	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,43,49,52,70H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b12-9-,21-18-,30-27-,43-38-,52-49-
HMDB44343	TG(16:0/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31-32,34-35,40,43,56H,4-16,18-19,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b20-17-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB28802	Glutaminyl-Lysine	NCCCCC(N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)
HMDB28803	Glutaminyl-Methionine	CSCCC(N)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-7(10(16)17)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB34197	Clerosterol	CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)=C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3
HMDB34196	(3beta,5alpha,22E,24S)-Stigmasta-7,22,25-trien-3-ol	CCC(\C=C\C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)=C	InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,20-23,25-27,30H,2,7,10,12-18H2,1,3-6H3/b9-8+
HMDB34191	Withaperuvin B	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H40O9/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-20(31)28(36)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3
HMDB34190	(3beta,4alpha,5alpha,24(28)Z)-4,14-Dimethylstigmasta-9(11),24(28)-dien-3-ol	C\C=C(\CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC4(C)C3=CCC12C)C(C)C	InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h9,15,20-22,24-25,27-28,32H,10-14,16-19H2,1-8H3/b23-9-
HMDB34193	24,25-Epoxywithanolide D	CC(O)(C1CCC2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(=O)O1	InChI=1S/C28H38O7/c1-23-11-10-16-14(12-20-28(34-20)19(30)9-8-18(29)25(16,28)3)15(23)6-7-17(23)26(4,32)21-13-24(2)27(5,35-24)22(31)33-21/h8-9,14-17,19-21,30,32H,6-7,10-13H2,1-5H3
HMDB34192	delta3,5-Deoxytigogenin	[H][C@@]1(C)CC[C@]2(O[C@H]3CC4C5CC=C6C=CCC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)OC1	InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20?,21?,22?,23+,24+,25+,26+,27-/m1/s1
HMDB28808	Glutaminyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C16H20N4O4/c17-11(7-9-8-19-12-4-2-1-3-10(9)12)15(22)20-13(16(23)24)5-6-14(18)21/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)
HMDB28809	Glutaminyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C14H19N3O5/c15-10(7-8-1-3-9(18)4-2-8)13(20)17-11(14(21)22)5-6-12(16)19/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)
HMDB34199	3beta-Ergosta-5,23-dien-3-ol	CC(C)C(C)=CC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,9,18,20,22-26,29H,8,10-17H2,1-6H3/b19-7+/t20-,22+,23?,24-,25?,26?,27+,28-/m1/s1
HMDB34198	2-Methyl-1-propylamine	CC(C)CN	InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
HMDB31619	2-Phenyl-2-butenal	C\C=C(\C=O)C1=CC=CC=C1	InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2-
HMDB31618	4-Phenylbutanoic acid; Et ester	CCOC(=O)CCCC1=CC=CC=C1	InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
HMDB34229	Hygromycin B	CNC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC23)OC(C(N)CO)C(O)C(O)C4O)C1O	InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3
HMDB34228	Thiolutin	CN1C(=O)C(NC(C)=O)=C2SSC=C12	InChI=1S/C8H8N2O2S2/c1-4(11)9-6-7-5(3-13-14-7)10(2)8(6)12/h3H,1-2H3,(H,9,11)
HMDB34223	2,3,4,5,6-Penta-O-acetyl-D-glucose	CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C=O.CC(=O)OCC(OC(C)=O)C1OC(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O	InChI=1S/3C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21;1-7(17)22-6-12(23-8(2)18)13-14(24-9(3)19)15(25-10(4)20)16(27-13)26-11(5)21;1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h2*12-16H,6H2,1-5H3;6,13-16H,7H2,1-5H3
HMDB34222	L-Pinitol	CO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m1/s1
HMDB34221	L-Quebrachitol	CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6+,7-/m0/s1
HMDB31612	3,5-Dimethoxy-2,7-phenanthrenediol	COC1=CC2=C(C=CC3=C2C(OC)=CC(O)=C3)C=C1O	InChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3
HMDB34227	alpha-Tocopherol acetate	CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1	InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
HMDB31614	4-Phenyl-2-butanol; ()-form, Ac	CC(CCC1=CC=CC=C1)OC(C)=O	InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
HMDB31617	Benzylideneacetone	CC(=O)\C=C\C1=CC=CC=C1	InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
HMDB31616	4-Phenyl-3-buten-2-ol	CC(O)\C=C/C1=CC=CC=C1	InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7-
HMDB38539	Goshonoside F1	C\C(CCC1C(=C)CCC2C(C)(CO)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O	InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+
HMDB38538	Glycinoprenol 9	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CO	InChI=1S/C45H80O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h25,27,29,31,33,35,37-39,46H,11-24,26,28,30,32,34,36H2,1-10H3/b40-25+,41-27-,42-29-,43-31-,44-33+,45-35+
HMDB44239	TG(16:0/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,62H,4-16,18-19,21-24,29-61H2,1-3H3/b20-17-,27-25-,28-26-
HMDB44238	TG(16:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,38,44,47,60H,4-16,18-19,21-24,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,27-25-,28-26-,38-35-,47-44-
HMDB38533	Cardoltriene	OC1=CC(CCCCCCC\C=C\C\C=C\CC=C)=CC(O)=C1	InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4+,8-7+
HMDB38532	Irisresorcinol	CCCCCC\C=C\CCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h7-8,18-20,24-25H,2-6,9-17H2,1H3/b8-7+
HMDB38531	5-(2-Heptadecenyl)-1,3-benzenediol	CCCCCCCCCCCCCC\C=C\CC1=CC(O)=CC(O)=C1	InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h15-16,18-20,24-25H,2-14,17H2,1H3/b16-15+
HMDB38530	5-Heptadecyl-1,3-benzenediol	CCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
HMDB38537	Glycinoprenol 10	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CO	InChI=1S/C50H88O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h27,29,31,33,35,37,39,41-43,51H,12-26,28,30,32,34,36,38,40H2,1-11H3/b44-27+,45-29-,46-31+,47-33+,48-35+,49-37+,50-39-
HMDB38536	Glycinoprenol 11	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CO	InChI=1S/C55H96O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h29,31,33,35,37,39,41,43,45-47,56H,13-28,30,32,34,36,38,40,42,44H2,1-12H3/b48-29+,49-31-,50-33-,51-35-,52-37+,53-39+,54-41+,55-43-
HMDB38535	Physagulin C	CC(C1CC(C)=C(C)C(=O)O1)C12OC1C(OC(C)=O)C1(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC21C	InChI=1S/C30H38O9/c1-13-11-19(37-25(34)14(13)2)15(3)29-24(39-29)23(36-16(4)31)28(35)18-12-22-30(38-22)21(33)8-7-20(32)27(30,6)17(18)9-10-26(28,29)5/h7-8,15,17-19,21-24,33,35H,9-12H2,1-6H3
HMDB38534	5-(8,11-Pentadecadienyl)-1,3-benzenediol	CCC\C=C/C\C=C/CCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h4-5,7-8,16-18,22-23H,2-3,6,9-15H2,1H3/b5-4-,8-7-
HMDB42680	TG(14:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,40,43,56H,4-15,18,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-,43-40-
HMDB42681	TG(14:0/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,58H,4-15,18,21-23,28-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-
HMDB42682	TG(14:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,36,39,58H,4-15,18,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,39-36-
HMDB42683	TG(14:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,36,39,45,48,58H,4-15,18,21-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,48-45-
HMDB42684	TG(14:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,54H,4-7,9-10,12-15,18,21-23,27-29,31-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-
HMDB42685	TG(14:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,35,38,54H,4-7,9-10,12-15,18,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-,38-35-
HMDB42686	TG(14:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,34,56H,4-7,9-10,12-15,18,21-23,28-31,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-32-
HMDB42687	TG(14:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,34,40,43,56H,4-7,9-10,12-15,18,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-32-,43-40-
HMDB42688	TG(14:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,36,39,58H,4-6,8-9,11-15,18,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-
HMDB42689	TG(14:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,36,39,45,48,58H,4-6,8-9,11-15,18,21-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,48-45-
HMDB15158	Felodipine	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC	InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
HMDB15159	Mycophenolic acid	COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C	InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
HMDB15154	Bethanechol	CC(C[N+](C)(C)C)OC(N)=O	InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
HMDB15155	Isosorbide Mononitrate	[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O	InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1
HMDB15156	Trichlormethiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl	InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
HMDB15157	Phytonadione	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O	InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
HMDB15150	Sulfamethoxazole	CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1	InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
HMDB15151	Glyburide	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1	InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
HMDB15152	Minocycline	[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2	InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
HMDB15153	Guanfacine	NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl	InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
HMDB42976	TG(15:0/14:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-23-20-17-14-11-8-5-2/h13,16,22,24,48H,4-12,14-15,17-21,23,25-47H2,1-3H3/b16-13-,24-22-
HMDB42977	TG(15:0/14:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,49H,4-15,17-18,20-23,26,29-48H2,1-3H3/b19-16-,25-24-,28-27-
HMDB42974	TG(15:0/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-23-20-17-14-11-8-5-2/h19,22,25-26,48H,4-18,20-21,23-24,27-47H2,1-3H3/b22-19-,26-25-
HMDB42975	TG(15:0/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h16,19,24-25,29,31,47H,4-15,17-18,20-23,26-28,30,32-46H2,1-3H3/b19-16-,25-24-,31-29-
HMDB42972	TG(15:0/14:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h24-25,51H,4-23,26-50H2,1-3H3/b25-24-
HMDB42973	TG(15:0/14:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h24-25,53H,4-23,26-52H2,1-3H3/b25-24-
HMDB42970	TG(15:0/14:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h24-25,49H,4-23,26-48H2,1-3H3/b25-24-
HMDB39041	Rutaretin; (R)-form, 1'-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(-&gt;6)-b-D-glucopyranoside]	COC1=CC(\C=C\C(=O)OCC2OC(OC(C)(C)C3CC4=C(O3)C(O)=C3OC(=O)C=CC3=C4)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C31H34O14/c1-31(2,20-12-16-11-15-6-8-22(33)44-28(15)27(38)29(16)43-20)45-30-26(37)25(36)24(35)19(42-30)13-41-21(32)7-5-14-9-17(39-3)23(34)18(10-14)40-4/h5-11,19-20,24-26,30,34-38H,12-13H2,1-4H3/b7-5+
HMDB39042	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone; (3'x,5'a,9'x,10'b)-form, 6'-Ketone	CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3
HMDB42978	TG(15:0/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,33,36,49H,4-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b19-16-,25-24-,28-27-,36-33-
HMDB42979	TG(15:0/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h16,19,24-25,51H,4-15,17-18,20-23,26-50H2,1-3H3/b19-16-,25-24-
HMDB37758	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3,3'-di-Me ether, 4'-O-b-D-glucuronopyranoside	COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O1)C=C1OCOC1=C2O	InChI=1S/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)
HMDB37759	2-Methylene-4-oxopentanedioic acid	OC(=O)C(=C)CC(=O)C(O)=O	InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)
HMDB37752	3,3',4',5,7,8-Hexahydroxyflavone; 8-O-b-D-Glucuronopyranoside, 3-O-sulfate	OC1C(O)C(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)OC(C1O)C(O)=O	InChI=1S/C21H18O17S/c22-6-2-1-5(3-7(6)23)15-18(38-39(32,33)34)11(26)10-8(24)4-9(25)16(17(10)35-15)36-21-14(29)12(27)13(28)19(37-21)20(30)31/h1-4,12-14,19,21-25,27-29H,(H,30,31)(H,32,33,34)
HMDB29862	Cyromazine	NC1=NC(NC2CC2)=NC(N)=N1	InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
HMDB37750	Cyclokievitone hydrate	CC1(C)OC2=CC(O)=C3C(=O)C(COC3=C2CC1O)C1=C(O)C=C(O)C=C1	InChI=1S/C20H20O7/c1-20(2)16(24)6-11-15(27-20)7-14(23)17-18(25)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7,12,16,21-24H,6,8H2,1-2H3
HMDB37751	3,3',4',5,7,8-Hexahydroxyflavone; 8-O-b-D-Glucopyranoside, 3-O-sulfate	OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)C(O)C(O)C1O	InChI=1S/C21H20O16S/c22-5-11-13(27)15(29)16(30)21(34-11)36-18-10(26)4-9(25)12-14(28)20(37-38(31,32)33)17(35-19(12)18)6-1-2-7(23)8(24)3-6/h1-4,11,13,15-16,21-27,29-30H,5H2,(H,31,32,33)
HMDB37756	Tagetiin	OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O13/c22-5-11-14(27)17(30)18(31)21(33-11)34-20-16(29)12-10(4-9(25)13(26)15(12)28)32-19(20)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-18,21-28,30-31H,5H2
HMDB37757	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3-Me ether, 4'-O-b-D-glucuronopyranoside	COC1=C(OC2=C(C(O)=C3OCOC3=C2)C1=O)C1=CC(O)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1	InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)
HMDB37754	Wharangin	COC1=C(OC2=C(C(O)=CC3=C2OCO3)C1=O)C1=CC(O)=C(O)C=C1	InChI=1S/C17H12O8/c1-22-17-13(21)12-10(20)5-11-15(24-6-23-11)16(12)25-14(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3
HMDB37755	3,3',4',5,7,8-Hexamethoxyflavone	COC1=CC(OC)=C(OC)C2=C1C(=O)C(OC)=C(O2)C1=CC(OC)=C(OC)C=C1	InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(25-3)10-15(26-4)19(27-5)20(16)29-18/h7-10H,1-6H3
HMDB32092	Glacin A	CCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-12-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-10-9-11-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB32093	4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one	CC(C)CCCCCCCCCCCCCCCC1=C(O)C=COC1=O	InChI=1S/C23H40O3/c1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-22(24)18-19-26-23(21)25/h18-20,24H,3-17H2,1-2H3
HMDB32270	(+/-)-Ethyl 2-hydroxy-3-methylvalerate	CCOC(=O)C(O)C(C)CC	InChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3
HMDB32271	Ethyl 3-mercaptobutyrate	CCOC(=O)CC(C)S	InChI=1S/C6H12O2S/c1-3-8-6(7)4-5(2)9/h5,9H,3-4H2,1-2H3
HMDB08219	PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29,31,46H,6-8,10,12-13,18-19,23,27-28,30,32-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
HMDB08218	PC(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,26,46H,6-8,10,12-13,18-19,23-25,27-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,26-21-/t46-/m1/s1
HMDB32098	Cepanone	CCCCCCCCC1OC(C)=CC1=O	InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-13-12(14)10-11(2)15-13/h10,13H,3-9H2,1-2H3
HMDB08211	PC(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24-25,27,31,33,44H,6-8,10,12-14,16,18-19,23,26,28-30,32,34-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB08210	PC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,44H,6-8,10,12-13,18-19,23,25-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-/t44-/m1/s1
HMDB08213	PC(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27,31,33,44H,6-8,10,12-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB08212	PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27,44H,6-8,10,12-13,18-19,23,26,28-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1
HMDB08215	PC(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27,31,33,44H,6-7,12-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
HMDB08214	PC(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27,44H,6-7,12-13,18-19,23,26,28-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1
HMDB08217	PC(18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,26,46H,6-8,10,12-14,16,18-19,23-25,27-45H2,1-5H3/b11-9-,17-15-,22-20-,26-21-/t46-/m1/s1
HMDB08216	PC(18:3(9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,46H,6-8,10,12-14,16,18-20,22-25,27-45H2,1-5H3/b11-9-,17-15-,26-21-/t46-/m1/s1
HMDB44348	TG(16:0/20:3n6/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,34,55H,4-13,15,18,20-22,24,28-30,32-33,35-54H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,34-31-
HMDB32278	Ethyl trans-2-methyl-2-pentenoate	CCOC(=O)C(\C)=C\CC	InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6+
HMDB39011	1,3,11(13)-Eudesmatrien-12-oic acid	CC1=CC=CC2(C)CCC(CC12)C(=C)C(O)=O	InChI=1S/C15H20O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h4-5,7,12-13H,2,6,8-9H2,1,3H3,(H,16,17)
HMDB39010	Calendasaponin C	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H86O25/c1-49(2)14-15-54(48(71)79-46-38(67)35(64)32(61)25(20-57)74-46)22(16-49)21-8-9-27-51(5)12-11-29(50(3,4)26(51)10-13-52(27,6)53(21,7)17-28(54)58)75-47-42(78-45-37(66)34(63)31(60)24(19-56)73-45)40(39(68)41(77-47)43(69)70)76-44-36(65)33(62)30(59)23(18-55)72-44/h8,22-42,44-47,55-68H,9-20H2,1-7H3,(H,69,70)
HMDB43852	TG(16:0/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-
HMDB43853	TG(16:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,34,37,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-,37-34-
HMDB43850	TG(16:0/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,48H,4-6,8-9,11-15,17-18,20-23,26-47H2,1-3H3/b10-7-,19-16-,25-24-
HMDB15639	Mepyramine	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1	InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
HMDB15638	Ethanolamine Oleate	NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O	InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;
HMDB43851	TG(16:0/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,30,32,48H,4-6,8-9,11-15,17-18,20-23,26-29,31,33-47H2,1-3H3/b10-7-,19-16-,25-24-,32-30-
HMDB15631	Alvimopan	C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1	InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
HMDB43856	TG(16:0/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-29-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB15633	Amisulpride	CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC	InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
HMDB15632	Temsirolimus	OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC	InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1
HMDB15634	Saxagliptin	N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2	InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
HMDB15637	Vilazodone	NC(=O)C1=CC2=C(O1)C=CC(=C2)N1CCN(CCCCC2=CNC3=C2C=C(C=C3)C#N)CC1	InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
HMDB15636	Agomelatine	COC1=CC2=C(C=CC=C2CCNC(C)=O)C=C1	InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
HMDB07298	DG(18:3(9Z,12Z,15Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C35H62O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,33,36H,3-4,6,8-10,12,14-15,18-32H2,1-2H3/b7-5-,13-11-,17-16-/t33-/m0/s1
HMDB07299	DG(18:3(9Z,12Z,15Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,33,36H,3-4,6,8-9,14-15,18-32H2,1-2H3/b7-5-,12-10-,13-11-,17-16-/t33-/m0/s1
HMDB43854	TG(16:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,34,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,34-31-
HMDB07290	DG(18:3(6Z,9Z,12Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,27,29,41,44H,3-11,13,15-16,20-22,24-26,28,30-40H2,1-2H3/b14-12-,19-17-,23-18-,29-27-/t41-/m0/s1
HMDB07291	DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,27,29,41,44H,3-10,15-16,20-22,24-26,28,30-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-,29-27-/t41-/m0/s1
HMDB07292	DG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,41,44H,3-10,15-16,20,24-25,30-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-/m0/s1
HMDB07293	DG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,41,44H,3-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m0/s1
HMDB07294	DG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,41,44H,3-4,6,8-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-/m0/s1
HMDB07295	DG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,41,44H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m0/s1
HMDB07296	DG(18:3(6Z,9Z,12Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,29,31,43,46H,3-11,13,15-17,19-24,26-28,30,32-42H2,1-2H3/b14-12-,25-18-,31-29-/t43-/m0/s1
HMDB07297	DG(18:3(6Z,9Z,12Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,43,46H,3-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b14-12-,19-17-,25-18-,31-29-/t43-/m0/s1
HMDB43858	TG(16:0/15:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB53611	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,34-35,37-38,43-44,46-47,59H,4-6,9,12-14,21-23,30-33,36,39-42,45,48-58H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB43377	TG(15:0/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,35,37,43,46,59H,4-24,29-34,36,38-42,44-45,47-58H2,1-3H3/b27-25-,28-26-,37-35-,46-43-
HMDB53613	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,37,39-40,42,46,48-49,51,61H,4-6,9,12-14,21-23,30-31,33,35-36,38,41,43-45,47,50,52-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-,51-48-
HMDB43859	TG(16:0/15:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB53615	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h7,10,14-19,23-28,32-33,39,42,60H,4-6,8-9,11-13,20-22,29-31,34-38,40-41,43-59H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,33-32-,42-39-
HMDB53614	TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,36,42,45,58H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,36-33-,45-42-
HMDB53617	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,36,39-40,43,45,48,61H,4-6,8-9,11-14,21-23,30-31,33,35,37-38,41-42,44,46-47,49-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-
HMDB43376	TG(15:0/24:1(15Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-
HMDB53619	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,33-36,41-42,44-45,63H,4-7,9-10,12-14,21-23,30-32,37-40,43,46-62H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB53618	TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,34,36,42,45,63H,4-7,9-10,12-14,21-23,30-33,35,37-41,43-44,46-62H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,45-42-
HMDB56229	DG(20:1n9/0:0/18:4n3)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,39,42H,3-5,7,9-11,13,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,27-25-
HMDB56228	DG(20:1n9/0:0/18:3n3)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,39,42H,3-5,7,9-11,13,15-16,20,22-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-
HMDB43375	TG(15:0/24:1(15Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h25-27,33,57H,4-24,28-32,34-56H2,1-3H3/b27-25-,33-26-
HMDB39015	Tangeraxanthin	CC(=O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C/C=C/C(/C)=C/C=C/C(/C)=C\C=C1/C(C)=CC(O)CC1(C)C	InChI=1S/C34H44O2/c1-26(16-11-18-28(3)20-13-21-31(6)35)14-9-10-15-27(2)17-12-19-29(4)22-23-33-30(5)24-32(36)25-34(33,7)8/h9-24,32,36H,25H2,1-8H3/b14-9-,15-10+,18-11+,19-12+,21-13+,26-16+,27-17+,28-20+,29-22-,33-23+
HMDB43373	TG(15:0/24:1(15Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20,23,25-26,55H,4-19,21-22,24,27-54H2,1-3H3/b23-20-,26-25-
HMDB43372	TG(15:0/24:1(15Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-
HMDB43371	TG(15:0/24:1(15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,63H,4-25,27,29-62H2,1-3H3/b28-26-
HMDB43370	TG(15:0/24:1(15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,61H,4-24,26,28-60H2,1-3H3/b27-25-
HMDB43378	TG(15:0/24:1(15Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,61H,4-24,29-60H2,1-3H3/b27-25-,28-26-
HMDB00749	Mesaconic acid	C\C(=C/C(O)=O)C(O)=O	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
HMDB00748	L-3-Phenyllactic acid	O[C@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
HMDB00743	Hexacarboxylporphyrin I	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CC(O)=O)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3CC(O)=O	InChI=1S/C38H38N4O12/c1-17-19(3-7-33(43)44)27-13-25-18(2)20(4-8-34(45)46)28(40-25)15-31-24(12-38(53)54)22(6-10-36(49)50)30(42-31)16-32-23(11-37(51)52)21(5-9-35(47)48)29(41-32)14-26(17)39-27/h13-16,40-41H,3-12H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b25-13-,26-14-,27-13-,28-15-,29-14-,30-16-,31-15-,32-16-
HMDB00742	Homocysteine	NC(CCS)C(O)=O	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
HMDB00740	Lactulose	OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12?/m1/s1
HMDB00747	Isovalerylalanine	CC(C)CC(=O)N[C@@H](C)C(O)=O	InChI=1S/C8H15NO3/c1-5(2)4-7(10)9-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1
HMDB00746	Hydroxyisocaproic acid	CC(C)C[C@H](O)C(O)=O	InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
HMDB00745	Homocarnosine	NCCCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O	InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1
HMDB00744	Malic acid	OC(CC(O)=O)C(O)=O	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
HMDB11640	Uridine 2',3'-cyclic phosphate	OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O	InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7-,8-/m1/s1
HMDB11641	Uridine 2'-phosphate	OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=CC(=O)NC1=O	InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
HMDB11643	(24R)-Cholest-5-ene-3-beta,24-diol	[H][C@@]12CCC([C@H](C)CC[C@@H](O)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22?,23+,24+,25-,26+,27-/m1/s1
HMDB11644	(24R)-Cholest-5-ene-3-beta,7-alpha,24-triol	[H][C@@]12CCC([C@H](C)CC[C@@H](O)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20?,21+,22+,23-,24-,25+,26+,27-/m1/s1
HMDB11648	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C11H16N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1,3-4,7-9,11,14-16H,2,5H2,(H2,12,17)/t7-,8-,9-,11-/m1/s1
HMDB11649	1-(sn-Glycero-3-phospho)-1D-myo-inositol	OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1
HMDB59138	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,44-46,48-51,55-58,60-63,67-69,72-73,89-91,96H,5-8,10,12,14,16-20,29-32,41-43,47,52-54,59,64-66,70-71,74-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-/t89?,90-,91-/m1/s1
HMDB55752	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,34,38,40-41,43,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-37,39,42,44-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB55753	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,34-37,42-43,45-46,59H,4-6,9,12-14,21-23,30-33,38-41,44,47-58H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-,46-43-
HMDB55750	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41-43,45-46,60H,4-6,9,12-15,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB55751	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-6,9,12-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB55756	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,35,41,44,58H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,35-33-,44-41-
HMDB55757	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43-44,46-47,60H,4-6,9,12-15,22-24,31-33,40-42,45,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB55754	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,36,38-39,42,44,47,61H,4-6,9,12-14,21-23,30-31,33,35,37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-
HMDB50689	TG(20:1(11Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,64H,4-15,18,21-24,31-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-
HMDB55758	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-6,9,12-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB55759	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,9,12-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB04242	11-Dehydro-thromboxane B2	CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O	InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4+,13-12+/t15-,16-,17-,18+/m0/s1
HMDB04243	12(S)-HPETE	CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
HMDB04240	15-Keto-prostaglandin F2a	CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1
HMDB04241	6-Ketoprostaglandin E1	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(O)=O	InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1
HMDB04246	Bradykinin	N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
HMDB54480	TG(22:2(13Z,16Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,63H,4-15,17-18,20-24,27,30-62H2,1-3H3/b19-16-,28-25-,29-26-
HMDB04244	15(S)-HPETE	CCCCC[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
HMDB54482	TG(22:2(13Z,16Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36,39,45,48,68H,4-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB57660	CL(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35-36,38-39,74-76,81H,5-24,27,31,33-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,32-28-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB57661	CL(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-32,36-37,39-40,75-77,82H,5-24,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB57662	CL(16:1(9Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34-37,72-74,79H,5-24,26,30,33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB04249	Phosphatidylinositol-3,4,5-trisphosphate	CC(=O)OC(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC(C)=O	InChI=1S/C12H24O22P4/c1-4(13)29-6(30-5(2)14)3-28-38(26,27)34-9-7(15)10(31-35(17,18)19)12(33-37(23,24)25)11(8(9)16)32-36(20,21)22/h6-12,15-16H,3H2,1-2H3,(H,26,27)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)/t7-,8-,9-,10+,11-,12-/m0/s1
HMDB54489	TG(22:2(13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB54488	TG(22:2(13Z,16Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB57666	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-27,29-31,35-38,73-75,80H,5-24,28,32-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB57667	CL(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB59132	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65,67-68,72,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,50,52,57,59,62,64,66,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,72-68-/t87?,88-,89-/m1/s1
HMDB59210	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,40-43,48-49,51-52,59-60,63-64,81-83,88H,5-20,23-24,27,29-31,35,38-39,44-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB50688	TG(20:1(11Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,36,39,45,48,62H,4-15,18,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB59133	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,44-46,48-51,55-58,60-63,67,69-70,73-74,89-91,96H,5-8,10-12,14-20,29-32,41-43,47,52-54,59,64-66,68,71-72,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB59217	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-10,12-14,16-20,24,28-32,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59130	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63,66,70,85-87,92H,5-8,10-12,14-20,24,28-32,40-41,44,49-50,53,55,57,60-62,64-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-,70-66-/t85?,86-,87-/m1/s1
HMDB59216	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,69-70,87-89,94H,5-10,12-14,16-20,24,28-32,36,40-42,49-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB55288	TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,32-33,58H,4-7,10,13-15,22-24,29-31,34-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-
HMDB45797	TG(20:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,34,36-37,39,43,45-46,48,60H,4-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB59131	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64,67,71,86-88,93H,5-8,10-12,14-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,65-66,68-70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-,71-67-/t86?,87-,88-/m1/s1
HMDB59215	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-20,24,28-32,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB45796	TG(20:0/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,36,39,45,48,60H,4-24,26,29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b28-25-,30-27-,39-36-,48-45-
HMDB55280	TG(18:3(9Z,12Z,15Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,35,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33-34,36-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,35-32-
HMDB59136	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB55282	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-32,35-36,39,41,44,56H,4-7,10,13-15,22-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB55283	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-34,36-37,43,46,58H,4-6,8,11,13-15,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB51848	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,33,36,40-41,43-44,50,53,64H,4-6,8,11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB55287	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,35,41,44,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,35-32-,44-41-
HMDB52256	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,35,38,44,47,65H,4-14,16,19,21-23,30-34,36-37,39-43,45-46,48-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,38-35-,47-44-
HMDB52257	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39-40,43,45,48,66H,4-16,19,22-24,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-
HMDB52254	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35,38-39,44,47,65H,4-16,18-19,22-23,27,31-34,36-37,40-43,45-46,48-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,38-35-,39-30-,47-44-
HMDB45794	TG(20:0/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,34,37,43,46,58H,4-20,22-23,25,27-28,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b24-21-,29-26-,37-34-,46-43-
HMDB52252	TG(24:1(15Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,65H,4-16,18-19,21-24,27,30-64H2,1-3H3/b20-17-,28-25-,29-26-
HMDB52253	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,43,49,52,70H,4-17,19-20,22-24,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-38-,52-49-
HMDB52250	TG(24:1(15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB52251	TG(24:1(15Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB45793	TG(20:0/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,32,35,41,44,56H,4-20,22-23,25,27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b24-21-,28-26-,35-32-,44-41-
HMDB59135	CL(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,44-46,48-51,55-58,60-63,67,69-70,73-74,89-91,96H,5-8,10,12,14,16-20,29-32,41-43,47,52-54,59,64-66,68,71-72,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB52258	TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39-40,43,45,48-49,52,66H,4-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB45792	TG(20:0/20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,31,33,39,42,54H,4-14,16-17,19-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b18-15-,27-25-,33-31-,42-39-
HMDB36574	Carbon disulfide	S=C=S	InChI=1S/CS2/c2-1-3
HMDB45791	TG(20:0/20:3(5Z,8Z,11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h27,30,40,43,49,52,64H,4-26,28-29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b30-27-,43-40-,52-49-
HMDB57598	CL(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,44,48,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-44-/t77?,78-,79-/m1/s1
HMDB57599	CL(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57596	CL(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1
HMDB57597	CL(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,44,48,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-44-/t77?,78-,79-/m1/s1
HMDB57594	CL(16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,29-30,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB45790	TG(20:0/20:3(5Z,8Z,11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h27,30,38,41,47,50,62H,4-26,28-29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b30-27-,41-38-,50-47-
HMDB57592	CL(16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,38-39,44,48,56,60,77-79,84H,5-20,22-24,29,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57593	CL(16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,38-39,41,44,48,56,60,77-79,84H,5-20,22-24,27,29,31,34,37,40,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57590	CL(16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,29-30,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB57591	CL(16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,29,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB51503	TG(22:1(13Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-
HMDB51502	TG(22:1(13Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,52,55,66H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB51501	TG(22:1(13Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,66H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-
HMDB51500	TG(22:1(13Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,66H,4-15,17-18,20-24,27,30-65H2,1-3H3/b19-16-,28-25-,29-26-
HMDB51507	TG(22:1(13Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,43,46,66H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,46-43-
HMDB51506	TG(22:1(13Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,47,50,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-,50-47-
HMDB51505	TG(22:1(13Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-
HMDB51504	TG(22:1(13Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,45-42-
HMDB51509	TG(22:1(13Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-
HMDB51508	TG(22:1(13Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,43,46,52,55,66H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB51846	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,45,48,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB40548	Degalloyltheaflavonin	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C2OC3=C(CC2O)C(O)=CC(O)=C3)C(O)C(O)C1O	InChI=1S/C36H32O20/c37-8-21-27(47)31(51)32(52)36(55-21)56-35-30(50)24-15(41)2-10(39)4-20(24)54-34(35)13-7-17(43)26(46)29(49)23(13)22-12(6-16(42)25(45)28(22)48)33-18(44)5-11-14(40)1-9(38)3-19(11)53-33/h1-4,6-7,18,21,27,31-33,36-49,51-52H,5,8H2
HMDB51844	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,39-40,43,60H,4-7,10,13-16,19,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-
HMDB43629	TG(15:0/18:3(9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,51H,4-7,9-10,12-16,18-19,21-25,27,29-50H2,1-3H3/b11-8-,20-17-,28-26-
HMDB51845	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-
HMDB43628	TG(15:0/18:3(9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,49H,4-6,8-9,11-15,17-18,20-24,27-48H2,1-3H3/b10-7-,19-16-,26-25-
HMDB35868	Rosifoliol	CC1CCCC2(C)CCC(C=C12)C(C)(C)O	InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3
HMDB35869	alpha-Rotunol	CC(=C)C1CCC2(C)CC(=O)C=C(C)C2(O)C1	InChI=1S/C15H22O2/c1-10(2)12-5-6-14(4)9-13(16)7-11(3)15(14,17)8-12/h7,12,17H,1,5-6,8-9H2,2-4H3
HMDB35866	Melledonal C	COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=C1	InChI=1S/C24H29ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,9,15,18-19,27-28,30-31H,8,10H2,1-5H3
HMDB35867	1(10),4,11(13)-Germacratrien-12,6-olid-14-oic acid; (1(10)Z,4E,6a)-form, 11,13-Dihydro, b-D-glucopyranosyl ester	CC1[C@@H]2CCC(=CCC\C(C)=C\[C@H]2OC1=O)C(=O)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O	InChI=1S/C21H30O9/c1-10-4-3-5-12(6-7-13-11(2)19(25)28-14(13)8-10)20(26)30-18-16(23)15(9-22)29-21(27)17(18)24/h5,8,11,13-18,21-24,27H,3-4,6-7,9H2,1-2H3/b10-8+,12-5+/t11?,13-,14+,15+,16+,17+,18-,21+/m0/s1
HMDB35864	13-Hydroxy-5'-O-methylmelledonal	COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(O)C(C)(CO)CC4(O)C=C(C=O)C23O)C(C)=C1	InChI=1S/C24H30O9/c1-12-5-14(32-4)6-15(27)17(12)20(29)33-16-8-22(3)18-19(28)21(2,11-26)10-23(18,30)7-13(9-25)24(16,22)31/h5-7,9,16,18-19,26-28,30-31H,8,10-11H2,1-4H3
HMDB35865	Melledonal A	CC1=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=CC(O)=C1	InChI=1S/C23H28O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,9,15,17-18,25-27,29-30H,8,10H2,1-4H3
HMDB35862	(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one	CC(C)C(=C)CC\C(C)=C\CCC(C)=O	InChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+
HMDB35863	Cyclocalamin	COC(=O)CC1OC(C)(C)C2C(=O)C(O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C	InChI=1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,18-21,30H,7,9,11H2,1-6H3
HMDB35860	Terretonin	COC(=O)C1(C)OC(=O)C2C(C)(C(=C)CC3(O)C4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)C23C)C1=O	InChI=1S/C26H32O9/c1-12-11-26(33)22(4)10-9-13(27)21(2,3)15(22)14(28)17(29)24(26,6)16-18(30)35-25(7,20(32)34-8)19(31)23(12,16)5/h16,28,33H,1,9-11H2,2-8H3
HMDB35861	p-Menth-1-en-3-ol; (3R,4S)-form	CC(C)[C@@H]1CCC(C)=C[C@H]1O	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m0/s1
HMDB43625	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,46-47,49-50,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-45,48,51-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-,50-47-
HMDB46265	TG(22:0/14:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,60H,4-23,25,27-59H2,1-3H3/b26-24-
HMDB43624	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,47,50,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-46,48-49,51-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,50-47-
HMDB46262	TG(22:0/14:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB43627	TG(15:0/18:3(9Z,12Z,15Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,48H,4-6,8-9,11-15,17-18,20-24,27-47H2,1-3H3/b10-7-,19-16-,26-25-
HMDB46263	TG(22:0/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h25,27,32,34,39,42,56H,4-24,26,28-31,33,35-38,40-41,43-55H2,1-3H3/b27-25-,34-32-,42-39-
HMDB00516	Beta-D-Glucose	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
HMDB43626	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,43,46,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-,46-43-
HMDB43621	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-37,39,43,46,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,38,40-42,44-45,47-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,46-43-
HMDB43620	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,37,43,46,55H,4-7,9-10,12-15,18,21-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB07575	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29,31,41,44H,3-4,6,8-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1
HMDB07574	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,29-32,41,44H,3-4,6,8-10,12,14-16,21-22,27-28,33-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB07577	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,41,44H,3-4,9-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1
HMDB07576	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,41,44H,3-4,6,8-10,15-16,21-22,27-28,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB07571	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-/t41-/m0/s1
HMDB07570	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H62O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,39,42H,3-4,9-10,15-16,20,24-25,30-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1
HMDB07573	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,41,44H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1
HMDB07572	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1
HMDB54153	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8-9,11-15,18,21-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB54152	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-6,8-9,11-15,18,21-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB54151	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-39,43-48,60H,4-6,8-9,11-15,18,21-24,31-33,40-42,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB43622	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,45,48,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40-44,46-47,49-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,48-45-
HMDB07579	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,43,46H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-42H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-/t43-/m0/s1
HMDB07578	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,41,44H,3-4,9-10,15-16,21-22,27-28,33-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB54155	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,36-37,39-40,45-46,48-49,62H,4-16,19,22-24,31-35,38,41-44,47,50-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB54154	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-15,17-18,20-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB41159	Cyanidin 3-O-[b-D-Xylopyranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;6)]-b-D-galactopyranoside]	OCC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1
HMDB41158	Cyanidin 3-(6-feruloyl-2'-sinapoylsophoroside) 5-glucoside	COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C2O)=CC=C1O	InChI=1S/C54H58O28/c1-71-32-12-22(4-8-28(32)59)5-10-39(61)74-21-38-44(66)47(69)51(82-54-50(46(68)43(65)37(20-56)79-54)81-40(62)11-6-23-13-33(72-2)41(63)34(14-23)73-3)53(80-38)77-35-18-26-30(75-49(35)24-7-9-27(58)29(60)15-24)16-25(57)17-31(26)76-52-48(70)45(67)42(64)36(19-55)78-52/h4-18,36-38,42-48,50-56,64-70H,19-21H2,1-3H3,(H4-,57,58,59,60,61,62,63)/p+1
HMDB41155	Cyanidin 3-[6-(4-glucosylcoumaryl)sophoroside] 5-glucoside	OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)OC2OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C48H56O28/c49-13-27-32(56)36(60)40(64)45(72-27)68-20-5-1-17(2-6-20)3-8-31(55)67-16-30-35(59)39(63)44(76-47-42(66)38(62)34(58)29(15-51)74-47)48(75-30)71-26-12-21-24(69-43(26)18-4-7-22(53)23(54)9-18)10-19(52)11-25(21)70-46-41(65)37(61)33(57)28(14-50)73-46/h1-12,27-30,32-42,44-51,56-66H,13-16H2,(H2-,52,53,54)/p+1/b8-3+
HMDB41154	Alatanin 1	COC1=CC(\C=C\C(=O)OC2C(CO)OC(OCC3OC(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)C(O)C(O)C3O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C38H40O20/c1-51-23-7-15(8-24(52-2)29(23)45)3-6-28(44)58-36-26(13-39)56-37(34(50)32(36)48)53-14-27-30(46)31(47)33(49)38(57-27)55-25-12-18-20(42)10-17(40)11-22(18)54-35(25)16-4-5-19(41)21(43)9-16/h3-12,26-27,30-34,36-39,46-50H,13-14H2,1-2H3,(H4-,40,41,42,43,44,45)/p+1
HMDB41157	Cyanidin 3-(6-coumaryl-2'-sinapoylsophoroside) 5-glucoside	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC5=C(OC6OC(CO)C(O)C(O)C6O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O	InChI=1S/C53H56O27/c1-70-32-13-23(14-33(71-2)40(32)62)6-12-39(61)79-49-45(67)42(64)36(20-55)77-53(49)80-50-46(68)43(65)37(21-72-38(60)11-5-22-3-8-25(56)9-4-22)78-52(50)75-34-18-27-30(73-48(34)24-7-10-28(58)29(59)15-24)16-26(57)17-31(27)74-51-47(69)44(66)41(63)35(19-54)76-51/h3-18,35-37,41-47,49-55,63-69H,19-21H2,1-2H3,(H4-,56,57,58,59,60,61,62)/p+1
HMDB41156	Cyanidin 3-[6-(4-glucosylferuloyl)sophoroside] 5-glucoside	COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C49H58O29/c1-68-26-8-17(2-6-23(26)71-46-41(65)37(61)33(57)28(13-50)74-46)3-7-32(56)69-16-31-36(60)40(64)45(78-48-43(67)39(63)35(59)30(15-52)76-48)49(77-31)73-27-12-20-24(70-44(27)18-4-5-21(54)22(55)9-18)10-19(53)11-25(20)72-47-42(66)38(62)34(58)29(14-51)75-47/h2-12,28-31,33-43,45-52,57-67H,13-16H2,1H3,(H2-,53,54,55)/p+1/b7-3+
HMDB41151	2',4',5,5',6,7-Hexahydroxyisoflavone; 4',5'-Methylene, 2',5,6-tri-Me ether, 7-O-(2-O-p-coumaroyl-b-D-glucopyranoside)	COC1=CC2=C(OCO2)C=C1C1=COC2=C(C1=O)C(OC)=C(OC)C(OC1OC(CO)C(O)C(O)C1OC(=O)\C=C/C1=CC=C(O)C=C1)=C2	InChI=1S/C34H32O15/c1-41-20-11-22-21(45-15-46-22)10-18(20)19-14-44-23-12-24(31(42-2)32(43-3)27(23)28(19)38)47-34-33(30(40)29(39)25(13-35)48-34)49-26(37)9-6-16-4-7-17(36)8-5-16/h4-12,14,25,29-30,33-36,39-40H,13,15H2,1-3H3/b9-6-
HMDB41150	7-Hydroxyaloin B	OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O	InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2
HMDB41153	Cyanidin 3-(6-feruloylglucoside) 5-(6-malonylglucoside)	COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(COC(=O)CC(O)=O)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)=C1	InChI=1S/C40H40O22/c1-55-25-8-16(2-5-21(25)43)3-7-30(47)56-14-27-32(49)35(52)37(54)40(62-27)60-26-12-19-23(58-38(26)17-4-6-20(42)22(44)9-17)10-18(41)11-24(19)59-39-36(53)34(51)33(50)28(61-39)15-57-31(48)13-29(45)46/h2-12,27-28,32-37,39-40,49-54H,13-15H2,1H3,(H4-,41,42,43,44,45,46,47)/p+1
HMDB41152	3-(4-Hydroxyphenyl)-2-propenoic acid, 9CI; (Z)-form, O-(3,7-Dimethyl-2,6-octadienyl), Me ester	COC(=O)\C=C\C1=CC=C(OC\C=C(/C)CCC=C(C)C)C=C1	InChI=1S/C20H26O3/c1-16(2)6-5-7-17(3)14-15-23-19-11-8-18(9-12-19)10-13-20(21)22-4/h6,8-14H,5,7,15H2,1-4H3/b13-10+,17-14+
HMDB50672	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB50673	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32,34,37,43,46,58H,4-8,10-11,13-16,19,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,46-43-
HMDB50670	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,38,41,47,50,62H,4-15,17,20,22-24,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB50671	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35,38,40-41,43,47,50,62H,4-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB50676	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB50677	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB50674	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32,34,37-38,41,43,46,58H,4-8,10-11,13-16,19,22-24,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB50675	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,45,48,60H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-
HMDB50678	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB50679	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,34,37,43,46,59H,4-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,46-43-
HMDB47798	TG(14:1(9Z)/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,29-30,36,39,52H,4-14,16-17,19-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,30-29-,39-36-
HMDB47796	TG(14:1(9Z)/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,50H,4-14,16-17,19-23,25,27-49H2,1-3H3/b18-15-,26-24-
HMDB47792	TG(14:1(9Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(48-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-
HMDB34142	5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one	CCCCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)CC(C)C)C(O)=C12	InChI=1S/C24H30O5/c1-6-7-8-9-15-13-18(26)28-22-16-10-11-24(4,5)29-23(16)20(21(27)19(15)22)17(25)12-14(2)3/h10-11,13-14,27H,6-9,12H2,1-5H3
HMDB32078	Dibenzyl ether	C(OCC1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
HMDB32079	2,4-Dibromophenol	OC1=C(Br)C=C(Br)C=C1	InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
HMDB32070	Isooctyl acetate	CC(C)CCCC(C)OC(C)=O	InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3
HMDB32072	(Z)-3-Phenyl-2-propenal	O=C\C=C/C1=CC=CC=C1	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4-
HMDB32073	o-Tolyl acetate	CC(=O)OC1=CC=CC=C1C	InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
HMDB32074	1-Methoxy-2-methylbenzene	COC1=CC=CC=C1C	InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
HMDB32075	p-Tolyl acetate	CC(=O)OC1=CC=C(C)C=C1	InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
HMDB32076	1-Methoxy-4-methylbenzene	COC1=CC=C(C)C=C1	InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
HMDB03503	3-(3,4-Dihydroxyphenyl)lactic acid	OC(CC1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)
HMDB47418	TG(24:0/20:2n6/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,63H,4-14,16-17,19-23,25,28,30-62H2,1-3H3/b18-15-,27-24-,29-26-
HMDB47419	TG(24:0/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,38,40,46,49,63H,4-14,16-17,19-23,25,28,30-37,39,41-45,47-48,50-62H2,1-3H3/b18-15-,27-24-,29-26-,40-38-,49-46-
HMDB47416	TG(24:0/20:2n6/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,61H,4-13,15-16,18-20,22,25,27-60H2,1-3H3/b17-14-,24-21-,26-23-
HMDB47417	TG(24:0/20:2n6/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,35,61H,4-13,15-16,18-22,24-25,28-34,36-60H2,1-3H3/b17-14-,26-23-,35-27-
HMDB47414	TG(24:0/20:2n6/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,57H,4-13,16,19-22,24,26-56H2,1-3H3/b17-14-,18-15-,25-23-
HMDB47415	TG(24:0/20:2n6/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,59H,4-13,15-16,18-20,22,25,27-58H2,1-3H3/b17-14-,24-21-,26-23-
HMDB34143	Albanin B	CC(C)=CCC1=C(OC2=C3C=CC(C)(CO)OC3=CC(O)=C2C1=O)C1=CC=C(O)C=C1O	InChI=1S/C25H24O7/c1-13(2)4-6-17-22(30)21-19(29)11-20-16(8-9-25(3,12-26)32-20)24(21)31-23(17)15-7-5-14(27)10-18(15)28/h4-5,7-11,26-29H,6,12H2,1-3H3
HMDB47413	TG(24:0/20:2n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C70H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-44-47-50-53-56-59-62-68(71)74-65-67(76-70(73)64-61-58-55-52-49-46-41-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,67H,4-14,16-17,19-23,25-26,28-66H2,1-3H3/b18-15-,27-24-
HMDB47410	TG(24:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,41,44,46,49,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-
HMDB47411	TG(24:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,41,44,46,49-50,53,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-
HMDB45924	TG(20:0/20:2n6/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,57H,4-13,15-16,18-20,22,25,27-56H2,1-3H3/b17-14-,24-21-,26-23-
HMDB45925	TG(20:0/20:2n6/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,31,57H,4-13,15-16,18-22,24-25,28-30,32-56H2,1-3H3/b17-14-,26-23-,31-27-
HMDB45926	TG(20:0/20:2n6/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,59H,4-14,16-17,19-23,26,29-58H2,1-3H3/b18-15-,27-24-,28-25-
HMDB45927	TG(20:0/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,34,36,42,45,59H,4-14,16-17,19-23,26,29-33,35,37-41,43-44,46-58H2,1-3H3/b18-15-,27-24-,28-25-,36-34-,45-42-
HMDB45920	TG(20:0/20:2n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,61H,4-14,16-17,19-23,25-26,28-60H2,1-3H3/b18-15-,27-24-
HMDB45921	TG(20:0/20:2n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,63H,4-14,16-17,19-23,25-26,28-62H2,1-3H3/b18-15-,27-24-
HMDB45922	TG(20:0/20:2n6/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,53H,4-13,16,19-22,24,26-52H2,1-3H3/b17-14-,18-15-,25-23-
HMDB45923	TG(20:0/20:2n6/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,55H,4-13,15-16,18-20,22,25,27-54H2,1-3H3/b17-14-,24-21-,26-23-
HMDB34140	Octyl 3-methylbutanoate	CCCCCCCCOC(=O)CC(C)C	InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3
HMDB45928	TG(20:0/20:2n6/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,61H,4-14,16-17,19-23,26,29-60H2,1-3H3/b18-15-,27-24-,28-25-
HMDB45929	TG(20:0/20:2n6/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,63H,4-14,16-17,19-23,26,29-62H2,1-3H3/b18-15-,27-24-,28-25-
HMDB01624	2-Hydroxycaproic acid	CCCCC(O)C(O)=O	InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
HMDB33214	Schottenol	[H][C@@]12CC=C3C4CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21+,22+,23+,25-,26?,27?,28+,29-/m1/s1
HMDB34146	Octadecanamide	CCCCCCCCCCCCCCCCCC(N)=O	InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)
HMDB34147	Monardaein	OC1C(COC(=O)\C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(OC4OC(COC(=O)CC(O)=O)C(OC(=O)CC(O)=O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1
HMDB38738	3-Hydroxyoctanoic acid, 9CI; (x)-form, Et ester, O-[b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C22H40O13/c1-3-5-6-7-11(8-14(24)31-4-2)33-22-20(30)18(28)16(26)13(35-22)10-32-21-19(29)17(27)15(25)12(9-23)34-21/h11-13,15-23,25-30H,3-10H2,1-2H3
HMDB38735	5-O-Feruloylnigrumin	COC1=C(O)C=CC(\C=C\C(=O)OC\C(=C/COC2OC(CO)C(O)C(O)C2O)C#N)=C1	InChI=1S/C21H25NO10/c1-29-15-8-12(2-4-14(15)24)3-5-17(25)31-11-13(9-22)6-7-30-21-20(28)19(27)18(26)16(10-23)32-21/h2-6,8,16,18-21,23-24,26-28H,7,10-11H2,1H3/b5-3+,13-6-
HMDB38734	Macrocarpal E	CC(C)CC(C1CCC(C)C2=CC(CCC12C)C(C)(C)O)C1=C(O)C(C=O)=C(O)C(C=O)=C1O	InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h12-18,21,31-34H,7-11H2,1-6H3
HMDB38737	Melilotigenin	CC1(CO)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CC(=O)C3(C)CCC12C)C(O)=O	InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)
HMDB38736	(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one	CC(=O)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O	InChI=1S/C13H22O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,10,15-17H,7-8H2,1-4H3/b6-5+
HMDB38731	4,7-Megastigmadien-9-ol	CC(O)\C=C\C1C(C)=CCCC1(C)C	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+
HMDB38730	5-O-p-Coumaroylnigrumin	OCC1OC(OC\C=C(/COC(=O)\C=C\C2=CC=C(O)C=C2)C#N)C(O)C(O)C1O	InChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7-
HMDB38733	Macrocarpal D	CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C(C)CCC(C=C12)C(C)(C)O	InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3
HMDB38732	4,7-Megastigmadien-9-ol; (6R,7E,9R)-form, O-[a-L-Arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CCCC1(C)C	InChI=1S/C24H40O10/c1-12-6-5-9-24(3,4)14(12)8-7-13(2)32-23-21(30)19(28)18(27)16(34-23)11-31-22-20(29)17(26)15(10-25)33-22/h6-8,13-23,25-30H,5,9-11H2,1-4H3/b8-7+
HMDB30508	Cyclolaudenyl palmitate	CCCCCCCCCCCCCCCC(=O)OC1CCC23CC22CCC4(C)C(CCC4(C)C2CCC3C1(C)C)C(C)CCC(C)C(C)=C	InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(48)49-41-29-31-46-34-47(46)33-32-44(8)38(37(5)25-24-36(4)35(2)3)28-30-45(44,9)40(47)27-26-39(46)43(41,6)7/h36-41H,2,10-34H2,1,3-9H3
HMDB30509	Notoginsenoside B	CC(=C)C(=O)CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C54H90O24/c1-22(2)24(58)10-16-54(8,78-48-44(70)40(66)37(63)29(75-48)21-71-46-42(68)38(64)34(60)26(18-55)72-46)23-9-14-53(7)33(23)25(59)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(67)36(62)28(20-57)74-49)77-47-43(69)39(65)35(61)27(19-56)73-47/h23,25-49,55-57,59-70H,1,9-21H2,2-8H3
HMDB30506	Cycloeucalanone	CC(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C	InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19-24,26H,8-18H2,1-7H3
HMDB30507	Cycloeucalenone	CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C	InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3
HMDB30504	2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol; (2S,4R,6S)-form, 3',3'',5''-Tri-Me ether	COC1=CC(CCC2CC(O)CC(O2)C2=CC(OC)=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C22H28O7/c1-26-19-8-13(5-7-17(19)24)4-6-16-11-15(23)12-18(29-16)14-9-20(27-2)22(25)21(10-14)28-3/h5,7-10,15-16,18,23-25H,4,6,11-12H2,1-3H3
HMDB30505	Bargustanine	COC1=CC2=C(CN(C)CC2)C=C1OC1=C(O)C(OC)=CC2=C1C(C(O)C1=CC=C(O)C(O)=C1)N(C)CC2	InChI=1S/C29H34N2O7/c1-30-9-7-16-12-22(36-3)23(14-19(16)15-30)38-29-25-17(13-24(37-4)28(29)35)8-10-31(2)26(25)27(34)18-5-6-20(32)21(33)11-18/h5-6,11-14,26-27,32-35H,7-10,15H2,1-4H3
HMDB30502	2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol; (2S,4R,6S)-form, 3',3''-Di-Me ether	COC1=CC(CCC2CC(O)CC(O2)C2=CC(OC)=C(O)C(O)=C2)=CC=C1O	InChI=1S/C21H26O7/c1-26-19-7-12(4-6-16(19)23)3-5-15-10-14(22)11-18(28-15)13-8-17(24)21(25)20(9-13)27-2/h4,6-9,14-15,18,22-25H,3,5,10-11H2,1-2H3
HMDB30503	2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol; (2S,4R,6S)-form, 3',3''-Di-Me ether, 4-Ac	COC1=CC(CCC2CC(CC(O2)C2=CC(OC)=C(O)C(O)=C2)OC(C)=O)=CC=C1O	InChI=1S/C23H28O8/c1-13(24)30-17-11-16(6-4-14-5-7-18(25)21(8-14)28-2)31-20(12-17)15-9-19(26)23(27)22(10-15)29-3/h5,7-10,16-17,20,25-27H,4,6,11-12H2,1-3H3
HMDB30500	Amoxycillin	CC1(C)SC2C(NC(=O)C(N)C3=CC=C(O)C=C3)C(=O)N2C1C(O)=O	InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)
HMDB30501	Spirolide F	CCC(O)C(\C)=C\C1C(C)=C(CCC1(CCC(C)CN)C(=O)CCCC(=C)CC1CCC(C)(O)C2(CCC3(CC(C)CO3)O2)O1)C1CC(C)C(=O)O1	InChI=1S/C43H69NO8/c1-9-36(45)30(5)22-35-32(7)34(37-23-31(6)39(47)50-37)15-18-41(35,17-13-28(3)25-44)38(46)12-10-11-27(2)21-33-14-16-40(8,48)43(51-33)20-19-42(52-43)24-29(4)26-49-42/h22,28-29,31,33,35-37,45,48H,2,9-21,23-26,44H2,1,3-8H3/b30-22+
HMDB33851	4,4-Dimethoxy-2-butanone	COC(CC(C)=O)OC	InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
HMDB33850	Astilbin	C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1
HMDB33853	Rutacridone epoxide	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C1(C)CO1)C=C2O	InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3
HMDB33852	Rutacridone	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(C)=C)C=C2O	InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3
HMDB33855	Medicocarpin	COC1=CC2=C(C=C1)C1COC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC=C3C1O2	InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3
HMDB33854	Isoprenyl alcohol	CC(C)(O)C=C	InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
HMDB33857	Violet-leaf aldehyde	CC\C=C/CC\C=C\C=O	InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+
HMDB33856	S-Propyl thioacetate	CCCSC(C)=O	InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3
HMDB33859	Glyzaglabrin	OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=C(O)C2=C(OCO2)C=C1	InChI=1S/C16H10O6/c17-8-1-2-10-13(5-8)20-6-11(14(10)18)9-3-4-12-16(15(9)19)22-7-21-12/h1-6,17,19H,7H2
HMDB33858	2-Buten-1-ol	C\C=C/CO	InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2-
HMDB38083	Citric acid; 2-Isopropyl ester	CC(C)OC(=O)C(O)(CC(O)=O)CC(O)=O	InChI=1S/C9H14O7/c1-5(2)16-8(14)9(15,3-6(10)11)4-7(12)13/h5,15H,3-4H2,1-2H3,(H,10,11)(H,12,13)
HMDB38081	2-Octenyl butyrate	CCCCC\C=C/COC(=O)CCC	InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8-
HMDB38080	Gibberellin A81	CC12CC(O)CC3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)
HMDB38087	3-Caffeoylpelargonidin 5-glucoside	OCC1OC(OC2=C3C=C(OC(=O)\C=C\C4=CC=C(O)C(O)=C4)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C30H26O13/c31-13-24-26(37)27(38)28(39)30(43-24)42-22-11-17(33)10-21-18(22)12-23(29(41-21)15-3-5-16(32)6-4-15)40-25(36)8-2-14-1-7-19(34)20(35)9-14/h1-12,24,26-28,30-31,37-39H,13H2,(H3-,32,33,34,35,36)/p+1
HMDB38086	Pelargonidin 3-rhamnoside 5-glucoside	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(37-10)40-17-8-14-15(38-25(17)11-2-4-12(29)5-3-11)6-13(30)7-16(14)39-27-24(36)22(34)20(32)18(9-28)41-27/h2-8,10,18-24,26-28,31-36H,9H2,1H3,(H-,29,30)/p+1
HMDB38085	Pelargonidin 3-rhamnoside	CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-9,17-19,21,25-27H,1H3,(H2-,22,23,24)/p+1
HMDB38084	Ethyl 3-(methylthio)butanoate	CCOC(=O)CC(C)SC	InChI=1S/C7H14O2S/c1-4-9-7(8)5-6(2)10-3/h6H,4-5H2,1-3H3
HMDB38089	Peonidin 3-arabinoside	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=CC(O)=C2	InChI=1S/C21H20O10/c1-28-15-4-9(2-3-12(15)24)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-13(25)5-10(23)6-14(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18-,19+,21+/m1/s1
HMDB38088	3-Ferulylpelargonidin 5-glucoside	COC1=CC(\C=C\C(=O)OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)=CC=C1O	InChI=1S/C31H28O13/c1-40-23-10-15(2-8-20(23)35)3-9-26(36)41-24-13-19-21(42-30(24)16-4-6-17(33)7-5-16)11-18(34)12-22(19)43-31-29(39)28(38)27(37)25(14-32)44-31/h2-13,25,27-29,31-32,37-39H,14H2,1H3,(H2-,33,34,35,36)/p+1
HMDB56148	DG(14:1n5/0:0/22:4n6)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24-25,27,37,40H,3-10,12,14-15,18,21,23,26,28-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,27-25+
HMDB56149	DG(14:1n5/0:0/22:5n6)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24-25,27-28,30,37,40H,3-10,12,14-15,18,21,23,26,29,31-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,27-25+,30-28-
HMDB56142	DG(14:1n5/0:0/18:2n6)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h13,15,17-18,22,24,34,37H,3-12,14,16,19-21,23,25-33H2,1-2H3/b15-13-,18-17-,24-22+
HMDB56143	DG(14:1n5/0:0/18:3n6)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,20-23,33,36H,3-10,12,14-15,18-19,24-32H2,1-2H3/b13-11-,17-16-,22-20-,23-21+
HMDB56140	DG(14:1n5/0:0/22:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h16-17,25,27,37,40H,3-15,18-24,26,28-36H2,1-2H3/b17-16-,27-25+
HMDB56141	DG(14:1n5/0:0/24:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,27,29,39,42H,3-15,18-26,28,30-38H2,1-2H3/b17-16-,29-27+
HMDB56146	DG(14:1n5/0:0/20:4n6)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23-26,35,38H,3-10,12,14-15,18,21-22,27-34H2,1-2H3/b13-11-,17-16-,20-19-,25-23+,26-24-
HMDB56147	DG(14:1n5/0:0/22:2n6)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,25,27,37,40H,3-10,12,14-15,18-24,26,28-36H2,1-2H3/b13-11-,17-16-,27-25+
HMDB56144	DG(14:1n5/0:0/20:2n6)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-14-12-10-8-6-4-2/h9,11,15-16,22,24,34,37H,3-8,10,12-14,17-21,23,25-33H2,1-2H3/b11-9-,16-15-,24-22+
HMDB56145	DG(14:1n5/0:0/20:3n6)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23,25,35,38H,3-10,12,14-15,18,21-22,24,26-34H2,1-2H3/b13-11-,17-16-,20-19-,25-23+
HMDB58104	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,40-41,44,49,53,61,65,80-82,87H,5-20,22-24,29,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58105	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB41979	perchloric acid	O[Cl](=O)(=O)=O	InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)
HMDB58107	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB58100	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58101	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58102	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,37-38,41-42,77-79,84H,5-24,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,32-28-,41-37-,42-38-/t78-,79-/m1/s1
HMDB58103	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,29,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB41971	p-dichlorobenzene	ClC1=CC=C(Cl)C=C1	InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
HMDB41970	oxmetidine	CC1=C(CSCCN=C2NC=C(CC3=CC4=C(OCO4)C=C3)C(O)=N2)NC=N1	InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)
HMDB58108	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,37-38,41,76-78,83H,5-24,26,28,30,32-33,35-36,39-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,31-27-,38-34-,41-37-/t76?,77-,78-/m1/s1
HMDB58109	CL(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,36-37,39,74-76,81H,5-24,26,30,33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,32-28-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB41975	pentafluorobenzyl bromide	FC1=C(F)C(F)=C(CBr)C(F)=C1F	InChI=1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
HMDB41974	pentachlorophenol	OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
HMDB09908	PI(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,39,42-47,50-54H,3-7,9,12,15,19,22-38H2,1-2H3,(H,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09909	PI(22:3(10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,41,44-49,52-56H,3-10,15-16,20,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09906	PI(22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44-49,52-56H,3-10,15-16,20-22,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09907	PI(22:3(10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,39,42-47,50-54H,3-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09904	PI(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,41,44-49,52-56H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,20-18-,25-23-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09905	PI(22:2(13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42-47,50-54H,3-10,12,14-16,19-38H2,1-2H3,(H,55,56)/b13-11-,18-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09902	PI(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,39,42-47,50-54H,3-4,6,8-10,12,14-16,20,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,21-18-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09903	PI(20:4(8Z,11Z,14Z,17Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20-22,24,26-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,25-23-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB09900	PI(20:4(8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09901	PI(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB48911	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-39,41-42,47-48,50-51,60H,4-15,18,22-23,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-
HMDB05422	TG(16:1(9Z)/18:0/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-/t54-/m1/s1
HMDB03081	Beta-D-Fucose	C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1
HMDB03080	Leukotriene D4	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SCC(N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O	InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20?,21-,22+/m0/s1
HMDB44687	TG(18:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,41,44,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-,44-41-
HMDB32816	Dammar-24-ene-3,12,20-triol; (3b,12b,20S)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-6-O-acetyl-b-D-glucopyranoside], 20-O-b-D-glucopyranoside	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC(C)=O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C50H84O19/c1-23(2)11-10-15-50(9,69-44-41(62)38(59)35(56)28(21-52)65-44)25-12-17-49(8)33(25)26(54)19-31-47(6)16-14-32(46(4,5)30(47)13-18-48(31,49)7)67-45-42(39(60)36(57)29(66-45)22-63-24(3)53)68-43-40(61)37(58)34(55)27(20-51)64-43/h11,25-45,51-52,54-62H,10,12-22H2,1-9H3
HMDB32817	Quinquenoside V	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C60H102O28/c1-24(2)10-9-14-60(8,88-54-47(77)42(72)39(69)31(84-54)23-79-51-48(78)44(74)49(30(22-64)83-51)86-52-45(75)40(70)36(66)27(19-61)80-52)25-11-16-59(7)35(25)26(65)18-33-57(5)15-13-34(56(3,4)32(57)12-17-58(33,59)6)85-55-50(43(73)38(68)29(21-63)82-55)87-53-46(76)41(71)37(67)28(20-62)81-53/h10,25-55,61-78H,9,11-23H2,1-8H3
HMDB32814	Quinquenoside I	C\C=C\C(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(O)C1O	InChI=1S/C52H86O19/c1-10-12-34(56)65-24-30-38(59)40(61)42(63)45(68-30)70-44-41(62)37(58)29(23-54)67-47(44)69-33-16-18-49(6)31(48(33,4)5)15-20-50(7)32(49)21-27(55)35-26(14-19-51(35,50)8)52(9,17-11-13-25(2)3)71-46-43(64)39(60)36(57)28(22-53)66-46/h10,12-13,26-33,35-47,53-55,57-64H,11,14-24H2,1-9H3/b12-10+
HMDB32815	Quinquenoside II	CCCCC\C=C\C(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2(C)C)C(O)C(O)C1O	InChI=1S/C62H104O24/c1-10-11-12-13-14-17-40(66)78-28-35-44(69)47(72)51(76)55(82-35)85-53-49(74)43(68)34(27-64)81-57(53)84-39-20-22-59(6)37(58(39,4)5)19-24-60(7)38(59)25-32(65)41-31(18-23-61(41,60)8)62(9,21-15-16-30(2)3)86-56-52(77)48(73)45(70)36(83-56)29-79-54-50(75)46(71)42(67)33(26-63)80-54/h14,16-17,31-39,41-57,63-65,67-77H,10-13,15,18-29H2,1-9H3/b17-14+
HMDB32812	Isofucosterol 3-O-[6-O-Octadecanoyl-b-D-glucopyranoside]	CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O	InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h9,27,37-38,41-46,48-51,55-57H,8,10-26,28-36H2,1-7H3/b39-9+
HMDB32813	Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside]	CCCCCCCC\C=C\CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O	InChI=1S/C53H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h9,16-17,27,37-38,41-46,48-51,55-57H,8,10-15,18-26,28-36H2,1-7H3/b17-16+,39-9+
HMDB32810	Zinc(II) gluconate	[Zn++].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O	InChI=1S/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
HMDB32811	Isofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside]	CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O	InChI=1S/C51H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h9,25,35-36,39-44,46-49,53-55H,8,10-24,26-34H2,1-7H3/b37-9+
HMDB10506	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-33,36,39,45,48,58H,4-6,9,12-15,18,21-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m1/s1
HMDB32818	Balanitesin	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OCC(O)C(O)C1OC1OCC(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C60H98O29/c1-22(18-77-52-47(74)44(71)41(68)34(17-61)84-52)9-14-60(76)23(2)36-33(89-60)16-30-28-8-7-26-15-27(10-12-58(26,5)29(28)11-13-59(30,36)6)83-55-49(40(67)32(63)20-79-55)88-56-50(86-53-46(73)39(66)31(62)19-78-53)42(69)35(21-80-56)85-57-51(45(72)38(65)25(4)82-57)87-54-48(75)43(70)37(64)24(3)81-54/h7,22-25,27-57,61-76H,8-21H2,1-6H3
HMDB32819	Gibberellin A113	CC12CCCC3(COC1=O)C1CC(O)C4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C20H26O5/c1-10-7-20-8-11(10)12(21)6-13(20)19-5-3-4-18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)
HMDB44681	TG(18:0/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,31,33,50H,4-15,17-18,20-23,25,27-30,32,34-49H2,1-3H3/b19-16-,26-24-,33-31-
HMDB09010	PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,43H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1
HMDB09011	PE(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,28-26-/t43-/m1/s1
HMDB09012	PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1
HMDB09013	PE(18:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)/t45-/m1/s1
HMDB09014	PE(18:0/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1
HMDB09015	PE(18:0/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
HMDB09016	PE(18:0/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1
HMDB09017	PE(18:0/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36,40H,3-12,14,16-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,36-33-/t40-/m1/s1
HMDB09018	PE(18:0/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,33,36,40H,3-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,36-33-/t40-/m1/s1
HMDB09019	PE(18:1(11Z)/14:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34,38H2,1-2H3,(H,41,42)/b15-13-/t35-/m1/s1
HMDB37363	Quercetin 3,4'-diglucoside	OCC1OC(OC2=C(O)C=C(C=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O2)C=C(O)C=C3O)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2
HMDB37362	Isoquercitrin	OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
HMDB37361	Azaleatin 3-rutinoside	COC1=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-14(39-2)6-11(29)7-15(17)42-25(26)10-3-4-12(30)13(31)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3
HMDB37360	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-b-D-Galactopyranoside	COC1=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C22H22O12/c1-31-12-5-9(24)6-13-15(12)17(28)21(20(32-13)8-2-3-10(25)11(26)4-8)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3
HMDB37367	Quercetin 3-(2-galloylglucoside)	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2
HMDB37366	Isoquercitrin; 6''-Ac	CC(=O)OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3
HMDB37365	Quercetin 3-(3-p-coumaroylglucoside)	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O	InChI=1S/C30H26O14/c31-12-21-24(38)28(43-22(37)8-3-13-1-5-15(32)6-2-13)26(40)30(42-21)44-29-25(39)23-19(36)10-16(33)11-20(23)41-27(29)14-4-7-17(34)18(35)9-14/h1-11,21,24,26,28,30-36,38,40H,12H2/b8-3+
HMDB37364	Quercetin 3-glucoside 7-xyloside	OCC1OC(OC2=C(OC3=C(C(O)=CC(OC4OCC(O)C(O)C4O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)42-24-19(34)16-12(30)4-9(39-25-21(36)17(32)13(31)7-38-25)5-14(16)40-23(24)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2
HMDB37369	Butyl 2-decenoate	CCCCCCC\C=C\C(=O)OCCCC	InChI=1S/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h11-12H,3-10,13H2,1-2H3/b12-11+
HMDB37368	Quercetin 3-(6''-malonyl-glucoside)	OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C1O	InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)
HMDB58794	CL(18:2(9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37-38,40,42-43,45,53,57,78-80,85H,5-20,22-24,27,29,31,34,36,39,41,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,32-28-,37-33-,40-35-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB34027	Sojagol	CC1(C)CCC2=C(O1)C=CC1=C2OC2=C1C(=O)OC1=CC(O)=CC=C21	InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3
HMDB14694	Piroxicam	CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O	InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
HMDB14695	Lamotrigine	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1	InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
HMDB14696	Perflutren	FC(F)(F)C(F)(F)C(F)(F)F	InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11
HMDB14697	Hydroxyzine	OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
HMDB14690	Propylthiouracil	CCCC1=CC(=O)NC(=S)N1	InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
HMDB14691	Acetohydroxamic Acid	CC(=O)NO	InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
HMDB14692	Pentostatin	OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O	InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
HMDB14693	Methoxsalen	COC1=C2OC(=O)C=CC2=CC2=C1OC=C2	InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
HMDB34026	Glyceollidin I	CC(C)=CCC1=C2OCC3(O)C(OC4=C3C=CC(O)=C4)C2=CC=C1O	InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3
HMDB48440	TG(16:1(9Z)/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h20,23,25-26,53H,4-19,21-22,24,27-52H2,1-3H3/b23-20-,26-25-
HMDB14698	Zanamivir	[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
HMDB14699	Bosentan	COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1	InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
HMDB58162	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-39,43-45,48-49,56-57,60-61,80-82,87H,5-20,23-24,29-30,35-36,40-42,46-47,50-55,58-59,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,48-44-,49-45-,60-56-,61-57-/t80?,81-,82-/m1/s1
HMDB58163	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,28-30,32,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB34029	Isopropylbenzene	CC(C)C1=CC=CC=C1	InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
HMDB47139	TG(24:0/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,68H,4-16,18-19,21-25,27-28,30-67H2,1-3H3/b20-17-,29-26-
HMDB37949	Catechin 7-glucoside	OCC1OC(OC2=CC3=C(CC(O)C(O3)C3=CC(O)=C(O)C=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2
HMDB37948	Catechin 5-glucoside	OCC1OC(OC2=CC(O)=CC3=C2CC(O)C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2
HMDB37947	7-Galloylcatechin	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C=C2O	InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2
HMDB37946	Catechin 3'-glucoside	OCC1OC(OC2=C(O)C=CC(=C2)C2OC3=C(CC2O)C(O)=CC(O)=C3)C(O)C(O)C1O	InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2
HMDB37945	Epicatechin 3-O-(3-O-methylgallate)	COC1=CC(=CC(O)=C1O)C(=O)OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3
HMDB37944	(-)-Epicatechin 3-O-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1	InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
HMDB37943	Epicatechin 3-glucoside	OCC1OC(OC2CC3=C(OC2C2=CC(O)=C(O)C=C2)C=C(O)C=C3O)C(O)C(O)C1O	InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2
HMDB37942	(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	CC1NC(CC2=C1NC1=C2C=CC=C1)C(O)=O	InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)
HMDB37941	Ergosterol peroxide	CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC33OOC21C=C3	InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+
HMDB37940	Tragopogonsaponin R	COC1=CC(CCC(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C63H94O27/c1-58(2)19-20-63(29(22-58)28-11-13-36-60(5)17-16-38(86-55-48(77)44(73)45(74)50(89-55)52(78)79)59(3,4)35(60)15-18-61(36,6)62(28,7)23-37(63)67)57(80)90-56-51(49(30(66)26-82-56)88-54-47(76)43(72)41(70)34(25-65)85-54)87-39(68)14-10-27-9-12-31(32(21-27)81-8)83-53-46(75)42(71)40(69)33(24-64)84-53/h9,11-12,21,29-30,33-38,40-51,53-56,64-67,69-77H,10,13-20,22-26H2,1-8H3,(H,78,79)
HMDB34028	2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone	COC1=CC(O)=CC(C\C=C(/C)CCC=C(C)C)=C1C(C)=O	InChI=1S/C19H26O3/c1-13(2)7-6-8-14(3)9-10-16-11-17(21)12-18(22-5)19(16)15(4)20/h7,9,11-12,21H,6,8,10H2,1-5H3/b14-9+
HMDB58168	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,29-30,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB39720	a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid	OC(C=O)C(O)C(OC1OC(=CC(O)C1O)C(O)=O)C(O)C(O)=O.OC1OC(C(OC2OC(=CC(O)C2O)C(O)=O)C(O)C1O)C(O)=O	InChI=1S/2C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20;13-2-4(15)6(16)9(8(18)11(21)22)24-12-7(17)3(14)1-5(23-12)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20);1-4,6-9,12,14-18H,(H,19,20)(H,21,22)
HMDB36012	2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone; De(methoxycarbonyl)	CC(C)C(=O)C1C(=O)C(CC=C(C)C)CC(CC=C(C)C)C1(C)CCC=C(C)C	InChI=1S/C27H44O2/c1-18(2)11-10-16-27(9)23(15-13-20(5)6)17-22(14-12-19(3)4)26(29)24(27)25(28)21(7)8/h11-13,21-24H,10,14-17H2,1-9H3
HMDB36013	(R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1CCC2=CC(O)=CC=C2O1	InChI=1S/C25H36O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h8,10,12,15,17-18,24,26H,5-7,9,11,13-14,16H2,1-4H3/b20-10+,21-12+
HMDB13473	PGP(16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C38H74O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35-36,39H,3-13,15,17-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b16-14-/t35-,36+/m0/s1
HMDB36011	Cinnzeylanine	CC(C)C1(O)CC2(O)C3(C)CC4(O)OC5(C(OC(C)=O)C(C)CCC35O)C2(O)C14C	InChI=1S/C22H34O8/c1-11(2)17(24)10-19(26)15(5)9-20(27)16(17,6)22(19,28)21(30-20)14(29-13(4)23)12(3)7-8-18(15,21)25/h11-12,14,24-28H,7-10H2,1-6H3
HMDB36016	Mangiferoleanone	CC1(C)CCC2(C)CCC3(C)C(CC(=O)C4C5(C)CCCC(C)(C)C5CCC34C)=C2C1	InChI=1S/C30H48O/c1-25(2)14-15-27(5)16-17-29(7)20(21(27)19-25)18-22(31)24-28(6)12-9-11-26(3,4)23(28)10-13-30(24,29)8/h23-24H,9-19H2,1-8H3
HMDB13474	PGP(16:0/18:0)	[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C40H80O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41H,3-36H2,1-2H3,(H,47,48)(H2,44,45,46)/t37-,38+/m0/s1
HMDB36014	1,4,5,7-Tetrahydroxyxanthone; 1,4,5-Tri-Me ether, 7-O-[b-D-glucopyranosyl-(1-&gt;2)-b-D-galactopyranoside]	COC1=CC=C(OC)C2=C1OC1=C(OC)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C=C1C2=O	InChI=1S/C28H34O16/c1-37-12-4-5-13(38-2)25-17(12)18(31)11-6-10(7-14(39-3)24(11)43-25)40-28-26(22(35)20(33)16(9-30)42-28)44-27-23(36)21(34)19(32)15(8-29)41-27/h4-7,15-16,19-23,26-30,32-36H,8-9H2,1-3H3
HMDB36015	Mangalkanyl glucoside	CCCCCCCCCC1CCC=CC1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H38O6/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)26-21-20(25)19(24)18(23)17(14-22)27-21/h10,13,15-25H,2-9,11-12,14H2,1H3
HMDB13479	PGP(16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1
HMDB13478	PGP(16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37-38,41H,3-10,12,14-16,19-21,23,25-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,18-17-,24-22-/t37-,38+/m0/s1
HMDB36018	Mangiferdesmethylursanone	CC1C(O)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12	InChI=1S/C29H48O2/c1-18-20(30)10-13-26(4)16-17-28(6)19(24(18)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-22,24,30H,8-17H2,1-7H3
HMDB44859	TG(18:0/14:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-
HMDB42318	TG(14:0/16:1(9Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h13,16,20,22-24,49H,4-12,14-15,17-19,21,25-48H2,1-3H3/b16-13-,23-20-,24-22-
HMDB42319	TG(14:0/16:1(9Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,50H,4-15,17-18,21-22,26,28,30-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-
HMDB46406	TG(22:0/24:0/22:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h68H,4-67H2,1-3H3
HMDB46407	TG(22:0/24:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h70H,4-69H2,1-3H3
HMDB46404	TG(22:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,43,46,52,55,66H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,28-25-,37-34-,46-43-,55-52-
HMDB44858	TG(18:0/14:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-
HMDB46402	TG(22:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,47,50,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,30-27-,41-38-,50-47-
HMDB46403	TG(22:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,43,46,66H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,28-25-,37-34-,46-43-
HMDB46400	TG(22:0/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,42,45,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,36-27-,45-42-
HMDB46401	TG(22:0/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,64H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-63H2,1-3H3/b12-9-,21-18-,30-27-,41-38-
HMDB46408	TG(22:0/24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,60H,4-14,16-17,19-59H2,1-3H3/b18-15-
HMDB46409	TG(22:0/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-
HMDB47132	TG(24:0/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26,29,68H,4-25,27-28,30-67H2,1-3H3/b29-26-
HMDB49368	TG(18:1(11Z)/24:1(15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-
HMDB47135	TG(24:0/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,38,44,47,64H,4-17,19-20,22-26,28-37,39-43,45-46,48-63H2,1-3H3/b21-18-,38-27-,47-44-
HMDB49369	TG(18:1(11Z)/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,37,40,46,49,62H,4-20,22-23,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b24-21-,28-25-,29-26-,40-37-,49-46-
HMDB47134	TG(24:0/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C68H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,39,65H,4-20,22-23,25-29,31-38,40-64H2,1-3H3/b24-21-,39-30-
HMDB44853	TG(18:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,46,49,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,29-26-,40-37-,49-46-
HMDB44852	TG(18:0/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-61H2,1-3H3/b11-8-,20-17-,29-26-,40-37-
HMDB44851	TG(18:0/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,34,40,43,60H,4-7,9-10,12-16,18-19,21-25,27-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,34-26-,43-40-
HMDB44850	TG(18:0/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,34,60H,4-7,9-10,12-16,18-19,21-25,27-33,35-59H2,1-3H3/b11-8-,20-17-,34-26-
HMDB44857	TG(18:0/14:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-
HMDB44856	TG(18:0/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h61H,4-60H2,1-3H3
HMDB44855	TG(18:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,45-42-,54-51-
HMDB44538	TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,35,56H,4-7,9-10,12-16,18-19,21-24,29-31,33-34,36-55H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-32-
HMDB44854	TG(18:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,42,45,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,29-26-,36-34-,45-42-
HMDB44539	TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,31-32,34-35,40,43,56H,4-7,9-10,12-16,18-19,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB45728	TG(20:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,38,41,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,41-38-
HMDB45729	TG(20:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,31,33,38,41,47,50,60H,4-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,33-31-,41-38-,50-47-
HMDB43049	TG(15:0/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB43048	TG(15:0/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB43041	TG(15:0/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,30,33,49H,4-6,8-9,11-15,17-18,20-24,27-29,31-32,34-48H2,1-3H3/b10-7-,19-16-,26-25-,33-30-
HMDB43040	TG(15:0/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,49H,4-6,8-9,11-15,17-18,20-24,27-48H2,1-3H3/b10-7-,19-16-,26-25-
HMDB43043	TG(15:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,35,38,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-34,36-37,39-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-,38-35-
HMDB43042	TG(15:0/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-
HMDB43045	TG(15:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,40,43,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-32-,43-40-
HMDB43044	TG(15:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,53H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-52H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-32-
HMDB43047	TG(15:0/18:0/15:0)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h48H,4-47H2,1-3H3
HMDB43046	TG(15:0/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C52H102O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(49-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB47759	TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,36,49H,4-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,36-33-
HMDB47758	TG(14:1(9Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,49H,4-14,17,20-23,26,29-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-
HMDB44532	TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,37,58H,4-7,9-10,12-16,18-19,21-25,27,29-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,28-26-,37-34-
HMDB47751	TG(14:1(9Z)/15:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,24-25,49H,4-14,16-17,19-23,26-48H2,1-3H3/b18-15-,25-24-
HMDB47750	TG(14:1(9Z)/15:0/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,24-25,47H,4-14,16-17,19-23,26-46H2,1-3H3/b18-15-,25-24-
HMDB47753	TG(14:1(9Z)/15:0/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,24-25,51H,4-14,16-17,19-23,26-50H2,1-3H3/b18-15-,25-24-
HMDB44533	TG(16:0/20:4(8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,39,60H,4-7,9-10,12-16,18-19,21-25,27,29-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,28-26-,39-36-
HMDB47755	TG(14:1(9Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-29-23-20-17-14-11-8-5-2/h15,18-19,22,25-26,48H,4-14,16-17,20-21,23-24,27-47H2,1-3H3/b18-15-,22-19-,26-25-
HMDB47754	TG(14:1(9Z)/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-
HMDB47757	TG(14:1(9Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-29-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,48H,4-12,14,17,19-21,23,25-47H2,1-3H3/b16-13-,18-15-,24-22-
HMDB47756	TG(14:1(9Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,29,31,47H,4-14,17,20-23,26-28,30,32-46H2,1-3H3/b18-15-,19-16-,25-24-,31-29-
HMDB42562	TG(14:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-30,32,35-36,39,54H,4-15,18,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-
HMDB45724	TG(20:0/18:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,57H,4-13,15-16,18-20,22,25,27-56H2,1-3H3/b17-14-,24-21-,26-23-
HMDB45725	TG(20:0/18:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,33,35,58H,4-15,17-18,20,22-23,26-27,29-32,34,36-57H2,1-3H3/b19-16-,24-21-,28-25-,35-33-
HMDB48422	TG(16:1(9Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h13,16,20,22-24,49H,4-12,14-15,17-19,21,25-48H2,1-3H3/b16-13-,23-20-,24-22-
HMDB14909	Clidinium	C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17-,20?,23+
HMDB48423	TG(16:1(9Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,50H,4-15,17-18,21-22,26,28,30-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-
HMDB14904	Clavulanate	[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO	InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
HMDB14905	Benzquinamide	CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O	InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3
HMDB14906	Olopatadine	CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2	InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
HMDB14907	Hydrocortamate	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1
HMDB14900	Irinotecan	CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=C1C=C(OC(=O)N1CCC(CC1)N1CCCCC1)C=C2	InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1
HMDB14901	Methimazole	CN1C=CNC1=S	InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
HMDB14902	Mometasone	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
HMDB14903	Metyrosine	C[C@](N)(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
HMDB13440	PC(o-20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,25,45H,6-8,10,12-14,16,18-20,22-24,26-44H2,1-5H3/b11-9-,17-15-,25-21-/t45-/m1/s1
HMDB48421	TG(16:1(9Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,30,32,48H,4-15,17-18,21-22,26-29,31,33-47H2,1-3H3/b19-16-,23-20-,25-24-,32-30-
HMDB13441	PC(o-20:0/20:0)	[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C48H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3/t47-/m1/s1
HMDB48426	TG(16:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,52H,4-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-
HMDB36047	3alpha-Hydroxyoreadone	CC1(C)C(O)CC(=O)C2C3C(O)OCC3=CCC12	InChI=1S/C14H20O4/c1-14(2)8-4-3-7-6-18-13(17)11(7)12(8)9(15)5-10(14)16/h3,8,10-13,16-17H,4-6H2,1-2H3
HMDB55557	TG(20:4(8Z,11Z,14Z,17Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,43,46,60H,4-6,9,12-15,18,21-24,27,30-33,36,39-42,44-45,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB02421	7-Sulfocholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(O)=O	InChI=1S/C24H40O8S/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31/h13-20,22,25-26H,4-12H2,1-3H3,(H,27,28)(H,29,30,31)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
HMDB56537	CL(16:0/16:1(9Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,28-29,32,34-35,70-72,77H,5-24,26-27,30-31,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,32-28-,35-34-/t70?,71-,72-/m1/s1
HMDB36046	Dehydrooreadone	CC1(C)C=CC(=O)C2C3C(O)OCC3=CCC12	InChI=1S/C14H18O3/c1-14(2)6-5-10(15)12-9(14)4-3-8-7-17-13(16)11(8)12/h3,5-6,9,11-13,16H,4,7H2,1-2H3
HMDB48424	TG(16:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,34,37,50H,4-15,17-18,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-,37-34-
HMDB56536	CL(16:0/16:1(9Z)/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h28,32-34,69-71,76H,5-27,29-31,35-68H2,1-4H3,(H,81,82)(H,83,84)/b32-28-,34-33-/t69?,70-,71-/m1/s1
HMDB36041	(R)-Lavandulol	CC(C)=CCC(CO)C(C)=C	InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3
HMDB48425	TG(16:1(9Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,52H,4-15,17-18,21-22,26-51H2,1-3H3/b19-16-,23-20-,25-24-
HMDB56535	CL(16:0/16:1(9Z)/16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,28-29,32,69-71,76H,5-24,26-27,30-31,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,32-28-/t69?,70-,71-/m1/s1
HMDB36040	Marasmen-3-one	CC1(C)C2CC=C3COC4OCC2(CCC1=O)C34	InChI=1S/C15H20O3/c1-14(2)10-4-3-9-7-17-13-12(9)15(10,8-18-13)6-5-11(14)16/h3,10,12-13H,4-8H2,1-2H3
HMDB56534	CL(16:0/16:1(9Z)/16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C73H138O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27-28,31-32,67-69,74H,5-26,29-30,33-66H2,1-4H3,(H,79,80)(H,81,82)/b31-27-,32-28-/t68-,69-/m1/s1
HMDB36043	15-Hydroxymarasmen-3-one	CC1(C)C2CC=C3COC4OC(O)C2(CCC1=O)C34	InChI=1S/C15H20O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9,11-13,17H,4-7H2,1-2H3
HMDB56533	CL(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB36042	Marmelolactone A	CC1CC(OC1=O)\C=C/C(C)=C	InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4-
HMDB48428	TG(16:1(9Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,48H,4-6,8-9,11-15,17-18,21-22,26-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-
HMDB56532	CL(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB48429	TG(16:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,30,32,48H,4-6,8-9,11-15,17-18,21-22,26-29,31,33-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,32-30-
HMDB56531	CL(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB59078	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64-65,67,69,71,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,66,68,70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-,69-65-,71-67-/t86?,87-,88-/m1/s1
HMDB56814	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-20,24,28-32,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB56530	CL(16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB34305	Tuberoside E	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C45H74O18/c1-18-8-11-45(56-17-18)19(2)30-27(63-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)58-42-39(62-41-36(54)34(52)32(50)28(15-46)59-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)20(3)57-40/h18-42,46-55H,6-17H2,1-5H3
HMDB56815	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-38,42-47,52-54,56-58,64-65,68-69,85-87,92H,5-10,12-14,16-20,24,28-32,39-41,48-51,55,59-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-/t85?,86-,87-/m1/s1
HMDB15059	Ceforanide	[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O	InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1
HMDB15058	Levosimendan	C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1	InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1
HMDB53827	TG(20:3n6/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,40,42,45,62H,4-8,10-11,13-16,19,22-24,30-35,38-39,41,43-44,46-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-
HMDB15051	Amantadine	NC12CC3CC(CC(C3)C1)C2	InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
HMDB15050	Phenformin	NC(=N)NC(=N)NCCC1=CC=CC=C1	InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
HMDB15052	Metronidazole	CC1=NC=C(N1CCO)[N+]([O-])=O	InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
HMDB15055	Spectinomycin	[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2	InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
HMDB15054	Almotriptan	CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2	InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3
HMDB15057	Buprenorphine	CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4	InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1
HMDB15056	Ketotifen	CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12	InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
HMDB53825	TG(20:3n6/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-
HMDB53822	TG(20:3n6/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38-39,41-42,47,50,64H,4-16,19,22-24,31-37,40,43-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-
HMDB53823	TG(20:3n6/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,40,43,66H,4-16,19,22-24,31-39,41-42,44-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB48839	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33,35,38-39,42,54H,4-15,18,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB05028	Escitalopram	CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1	InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
HMDB48835	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31-32,34-35,40-41,43-44,56H,4-16,18-19,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB48834	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,32,35,41,44,56H,4-16,18-19,22-23,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-32-,44-41-
HMDB48837	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,36,39,45,48,60H,4-16,18-19,22-23,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,39-36-,48-45-
HMDB05026	Rabeprazole	COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1	InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
HMDB05021	Quetiapine	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12	InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
HMDB05020	Risperidone	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1	InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
HMDB05023	Zolpidem	CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1	InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
HMDB05022	Pravastatin	[H]C12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC	InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22?/m0/s1
HMDB15235	Quinacrine	CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2	InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
HMDB34654	Katonic acid	[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,26+,27+,28-,29+,30+/m0/s1
HMDB15231	Flucytosine	NC1=C(F)C=NC(=O)N1	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
HMDB15230	Rosuvastatin	CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O	InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
HMDB34650	Soyasaponin II	CC1OC(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)
HMDB15232	Pimozide	FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1	InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
HMDB10108	PIP2(18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17,19,23,25,37,40-45,48-50H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,19-17-,25-23-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10109	PIP2(18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13-14,16-17,19,23,25,37,40-45,48-50H,3-10,12,15,18,20-22,24,26-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,16-14-,19-17-,25-23-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB53385	TG(20:2n6/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,31-32,37,40,59H,4-13,15,18,20,22,27,29-30,33-36,38-39,41-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,40-37-
HMDB12938	Dynorphin B	CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O	InChI=1S/C74H115N21O17/c1-40(2)34-53(91-68(107)54(36-44-18-10-8-11-19-44)86-58(100)39-84-57(99)38-85-62(101)48(76)35-46-25-27-47(97)28-26-46)67(106)89-51(24-17-33-83-74(80)81)63(102)87-50(23-16-32-82-73(78)79)64(103)90-52(29-30-56(77)98)65(104)92-55(37-45-20-12-9-13-21-45)69(108)88-49(22-14-15-31-75)66(105)93-59(41(3)4)70(109)94-60(42(5)6)71(110)95-61(43(7)96)72(111)112/h8-13,18-21,25-28,40-43,48-55,59-61,96-97H,14-17,22-24,29-39,75-76H2,1-7H3,(H2,77,98)(H,84,99)(H,85,101)(H,86,100)(H,87,102)(H,88,108)(H,89,106)(H,90,103)(H,91,107)(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,111,112)(H4,78,79,82)(H4,80,81,83)/t43-,48-,49+,50-,51?,52+,53-,54-,55?,59+,60+,61+/m1/s1
HMDB53383	TG(20:2n6/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,33,35,41,44,57H,4-13,15,18,20,22,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,35-33-,44-41-
HMDB53382	TG(20:2n6/18:1(11Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,33,35,57H,4-13,15,18,20,22,27,29-32,34,36-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,35-33-
HMDB53381	TG(20:2n6/18:1(11Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,21-26,56H,4-12,15,18-20,27-55H2,1-3H3/b16-13-,17-14-,24-21-,25-22-,26-23-
HMDB53380	TG(20:2n6/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-35-31-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-25,54H,4-12,14-15,17-20,23,26-53H2,1-3H3/b16-13-,24-21-,25-22-
HMDB10100	PIP2(18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13-14,16-17,19,37,40-45,48-50H,3-10,12,15,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,16-14-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10101	PIP2(18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-20,37,40-45,48-50H,3-10,12,14-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10102	PIP2(18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11-14,17-20,37,40-45,48-50H,3-10,15-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,14-12-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10103	PIP2(18:2(9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,18,21,39,42-47,50-52H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10104	PIP2(18:2(9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,17-19,21,39,42-47,50-52H,3-11,13,15-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10105	PIP2(18:2(9Z,12Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11-14,17-19,21,39,42-47,50-52H,3-10,15-16,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,14-12-,19-17-,21-18-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10106	PIP2(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h12,14,17-19,21-22,24,28,30,39,42-47,50-52H,3-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b14-12-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10107	PIP2(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11-14,17-19,21-22,24,39,42-47,50-52H,3-10,15-16,20,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,14-12-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB12931	Dopachrome o-semiquinone	[O]C1=C(O)C=C2N[C@H](CC2=C1)C(O)=O	InChI=1S/C9H8NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10,12H,1H2,(H,13,14)/t6-/m1/s1
HMDB12930	Docosanoyl-CoA	CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/t32-,36+,37+,38?,42-/m1/s1
HMDB54972	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,41,44,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-40,42-43,45-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-,44-41-
HMDB04857	Ganglioside GM1 (18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C75H135N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(89)78-46(47(86)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-100-71-63(96)61(94)65(52(41-82)103-71)105-73-64(97)69(109-75(74(98)99)37-48(87)55(76-44(3)84)68(108-75)57(90)49(88)38-79)66(53(42-83)104-73)106-70-56(77-45(4)85)67(59(92)51(40-81)101-70)107-72-62(95)60(93)58(91)50(39-80)102-72/h33,35,46-53,55-73,79-83,86-88,90-97H,5-32,34,36-43H2,1-4H3,(H,76,84)(H,77,85)(H,78,89)(H,98,99)/b35-33+/t46-,47+,48-,49-,50+,51+,52+,53+,55+,56+,57-,58-,59-,60-,61+,62+,63?,64+,65+,66-,67+,68?,69+,70-,71+,72-,73-,75-/m0/s1
HMDB04856	Ganglioside GM1 (18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-98-69-61(94)59(92)63(50(39-80)101-69)103-71-62(95)67(107-73(72(96)97)35-46(85)53(74-42(3)82)66(106-73)55(88)47(86)36-77)64(51(40-81)102-71)104-68-54(75-43(4)83)65(57(90)49(38-79)99-68)105-70-60(93)58(91)56(89)48(37-78)100-70/h31,33,44-51,53-71,77-81,84-86,88-95H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97)/b33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55-,56-,57-,58-,59+,60+,61?,62+,63+,64-,65+,66?,67+,68-,69+,70-,71-,73-/m0/s1
HMDB04855	Ganglioside GM1 (18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C71H127N3O31/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(82)42(74-50(85)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-96-67-59(92)57(90)61(48(37-78)99-67)101-69-60(93)65(105-71(70(94)95)33-44(83)51(72-40(3)80)64(104-71)53(86)45(84)34-75)62(49(38-79)100-69)102-66-52(73-41(4)81)63(55(88)47(36-77)97-66)103-68-58(91)56(89)54(87)46(35-76)98-68/h29,31,42-49,51-69,75-79,82-84,86-93H,5-28,30,32-39H2,1-4H3,(H,72,80)(H,73,81)(H,74,85)(H,94,95)/b31-29+/t42-,43+,44-,45-,46+,47+,48+,49+,51+,52+,53-,54-,55-,56-,57+,58+,59?,60+,61+,62-,63+,64?,65+,66-,67+,68-,69-,71-/m0/s1
HMDB04854	Ganglioside GM1 (18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H129N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-98-69-61(94)59(92)63(50(39-80)101-69)103-71-62(95)67(107-73(72(96)97)35-46(85)53(74-42(3)82)66(106-73)55(88)47(86)36-77)64(51(40-81)102-71)104-68-54(75-43(4)83)65(57(90)49(38-79)99-68)105-70-60(93)58(91)56(89)48(37-78)100-70/h19-20,31,33,44-51,53-71,77-81,84-86,88-95H,5-18,21-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97)/b20-19-,33-31-/t44-,45+,46+,47+,48-,49-,50-,51-,53-,54-,55+,56+,57+,58+,59-,60-,61-,62-,63-,64+,65-,66+,67-,68+,69-,70+,71+,73+/m1/s1
HMDB04853	Ganglioside GM1 (18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC	InChI=1S/C67H119N3O31/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(78)38(70-46(81)28-26-24-22-19-14-12-10-8-6-2)35-92-63-55(88)53(86)57(44(33-74)95-63)97-65-56(89)61(101-67(66(90)91)29-40(79)47(68-36(3)76)60(100-67)49(82)41(80)30-71)58(45(34-75)96-65)98-62-48(69-37(4)77)59(51(84)43(32-73)93-62)99-64-54(87)52(85)50(83)42(31-72)94-64/h25,27,38-45,47-65,71-75,78-80,82-89H,5-24,26,28-35H2,1-4H3,(H,68,76)(H,69,77)(H,70,81)(H,90,91)/b27-25+/t38-,39+,40-,41-,42+,43+,44+,45+,47+,48+,49-,50-,51-,52-,53+,54+,55?,56+,57+,58-,59+,60?,61+,62-,63+,64-,65-,67-/m0/s1
HMDB04852	Ganglioside GM3 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C66H122N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(76)68-47(48(73)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-84-63-58(80)57(79)60(52(44-71)86-63)87-64-59(81)62(56(78)51(43-70)85-64)89-66(65(82)83)41-49(74)54(67-46(3)72)61(88-66)55(77)50(75)42-69/h37,39,47-52,54-64,69-71,73-75,77-81H,4-36,38,40-45H2,1-3H3,(H,67,72)(H,68,76)(H,82,83)/b39-37+/t47-,48+,49-,50+,51+,52+,54+,55+,56-,57+,58?,59+,60+,61?,62-,63+,64-,66-/m0/s1
HMDB04851	Ganglioside GM3 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C65H120N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h36,38,46-51,53-63,68-70,72-74,76-80H,4-35,37,39-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/b38-36+/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57?,58+,59+,60?,61-,62+,63-,65-/m0/s1
HMDB04850	Ganglioside GM3 (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C67H124N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h38,40,48-53,55-65,70-72,74-76,78-82H,4-37,39,41-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/b40-38+/t48-,49+,50-,51+,52+,53+,55+,56+,57-,58+,59?,60+,61+,62?,63-,64+,65-,67-/m0/s1
HMDB04859	Ganglioside GM1 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H141N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(93)82-50(51(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-104-75-67(100)65(98)69(56(45-86)107-75)109-77-68(101)73(113-79(78(102)103)41-52(91)59(80-48(3)88)72(112-79)61(94)53(92)42-83)70(57(46-87)108-77)110-74-60(81-49(4)89)71(63(96)55(44-85)105-74)111-76-66(99)64(97)62(95)54(43-84)106-76/h19-20,37,39,50-57,59-77,83-87,90-92,94-101H,5-18,21-36,38,40-47H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,102,103)/b20-19-,39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61-,62-,63-,64-,65+,66+,67?,68+,69+,70-,71+,72?,73+,74-,75+,76-,77-,79-/m0/s1
HMDB04858	Ganglioside GM1 (18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C77H139N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(91)80-48(49(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-102-73-65(98)63(96)67(54(43-84)105-73)107-75-66(99)71(111-77(76(100)101)39-50(89)57(78-46(3)86)70(110-77)59(92)51(90)40-81)68(55(44-85)106-75)108-72-58(79-47(4)87)69(61(94)53(42-83)103-72)109-74-64(97)62(95)60(93)52(41-82)104-74/h35,37,48-55,57-75,81-85,88-90,92-99H,5-34,36,38-45H2,1-4H3,(H,78,86)(H,79,87)(H,80,91)(H,100,101)/b37-35+/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59-,60-,61-,62-,63+,64+,65?,66+,67+,68-,69+,70?,71+,72-,73+,74-,75-,77-/m0/s1
HMDB06357	cis-2-Methylaconitate	C\C(C(O)=O)=C(/CC(O)=O)C(O)=O	InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3-
HMDB34220	Levoinositol	O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m1/s1
HMDB07315	DG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,39,42H,3-5,7,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB07314	DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,39,42H,3-5,7,9-10,15-16,20,23,25-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t39-/m0/s1
HMDB07317	DG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,28,30,39,42H,3-4,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB07316	DG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,39,42H,3-4,9-10,15-16,20,23,25-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t39-/m0/s1
HMDB07311	DG(18:3(9Z,12Z,15Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,39,42H,3-5,7,9-11,13,15-16,20,22-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-/t39-/m0/s1
HMDB07310	DG(18:3(9Z,12Z,15Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,39,42H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3/b8-6-,14-12-,21-18-/t39-/m0/s1
HMDB07313	DG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,39,42H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB07312	DG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,39,42H,3-5,7,9-10,15-16,20,22-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-/t39-/m0/s1
HMDB07319	DG(18:3(9Z,12Z,15Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,41,44H,3-5,7,9-11,13,15-16,20-22,24-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-/t41-/m0/s1
HMDB07318	DG(18:3(9Z,12Z,15Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,41,44H,3-5,7,9-11,13,15-17,19-22,24-40H2,1-2H3/b8-6-,14-12-,23-18-/t41-/m0/s1
HMDB56388	CL(16:0/16:0/16:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H146O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h69-71,76H,5-68H2,1-4H3,(H,81,82)(H,83,84)/t69?,70-,71-/m1/s1
HMDB56389	CL(16:0/16:0/16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C73H140O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,67-69,74H,5-26,28-30,32-66H2,1-4H3,(H,79,80)(H,81,82)/b31-27-/t67?,68-,69-/m1/s1
HMDB56384	DG(22:5n3/0:0/22:5n3)	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,45,48H,3-4,9-10,15-16,21-22,27-28,33-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB56385	DG(22:5n3/0:0/22:6n3)	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35,37,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-
HMDB56386	DG(22:6n3/0:0/22:6n3)	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-
HMDB56387	CL(16:0/16:0/16:0/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C73H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h67-69,74H,5-66H2,1-4H3,(H,79,80)(H,81,82)/t68-,69-/m1/s1
HMDB56380	DG(20:4n3/0:0/22:6n3)	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-4,9-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-
HMDB56381	DG(20:5n3/0:0/20:5n3)	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,41,44H,3-4,9-10,15-16,21-22,27-28,33-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB56382	DG(20:5n3/0:0/22:5n3)	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,9-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-
HMDB56383	DG(20:5n3/0:0/22:6n3)	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H66O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-4,9-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-
HMDB15584	Maraviroc	[H][C@]12CC[C@]([H])(CC(C1)N1C(C)=NN=C1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1	InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1
HMDB05814	Testosterone enanthate	[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
HMDB02845	Hexanoyl-CoA	CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22?,26-/m1/s1
HMDB05810	Eriodictyol	OC1=CC2=C(C(=O)C[C@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1	InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
HMDB05811	Eriocitrin	[H][C@]1(CC(=O)C2=C(C1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O)C1=CC=C(O)C(O)=C1	InChI=1S/C27H32O15/c28-13-2-1-9(5-14(13)29)10-3-11-4-12(7-16(31)18(11)15(30)6-10)40-27-24(37)20(33)19(32)17(41-27)8-39-26-23(36)21(34)22(35)25(38)42-26/h1-2,4-5,7,10,17,19-29,31-38H,3,6,8H2/t10-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m0/s1
HMDB05812	Geraniol	CC(C)=CCC\C(C)=C/CO	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
HMDB53400	TG(20:2n6/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-27,29-30,55H,4-7,9-10,12,14-15,18-19,21,23-24,28,31-54H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,29-26-,30-27-
HMDB53401	TG(20:2n6/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-27,29-30,35,38,55H,4-7,9-10,12,14-15,18-19,21,23-24,28,31-34,36-37,39-54H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,29-26-,30-27-,38-35-
HMDB53402	TG(20:2n6/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31,33,35,57H,4-6,8-9,11-13,15,18,20-22,24,29-30,32,34,36-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,31-27-,35-33-
HMDB53403	TG(20:2n6/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31,33,35,41,44,57H,4-6,8-9,11-13,15,18,20-22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB53404	TG(20:2n6/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31-33,37,40,59H,4-6,8-9,11-13,15,18,20-22,24,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,40-37-
HMDB53405	TG(20:2n6/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31-33,37,40,46,49,59H,4-6,8-9,11-13,15,18,20-22,24,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB53406	TG(20:2n6/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h13,16,22,25,27,30,56H,4-12,14-15,17-21,23-24,26,28-29,31-55H2,1-3H3/b16-13-,25-22-,30-27-
HMDB53407	TG(20:2n6/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,23-28,58H,4-13,16,19-22,29-57H2,1-3H3/b17-14-,18-15-,26-23-,27-24-,28-25-
HMDB53408	TG(20:2n6/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,34,37,59H,4-14,17,20-23,30-33,35-36,38-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,37-34-
HMDB53409	TG(20:2n6/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,34,37,43,46,59H,4-14,17,20-23,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,37-34-,46-43-
HMDB55125	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-48,52-53,55-56,66H,4-8,10-11,13-15,22-24,31-33,40-42,49-51,54,57-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,56-53-
HMDB55124	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,47-48,50,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,35,37,40,42-44,46,49,51-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-,50-47-
HMDB55127	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-36,40-45,49,52,62H,4-7,10,13-15,22-24,30-31,37-39,46-48,50-51,53-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-
HMDB55126	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-36,40-41,43-44,49,52,62H,4-7,10,13-15,22-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-
HMDB55121	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-7,10,13-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB55120	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-7,10,13-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB55123	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-45,49-54,64H,4-6,8,11,13-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB55122	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-45,49,51-52,54,64H,4-6,8,11,13-15,22-24,31-32,35,38-39,46-48,50,53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,54-51-
HMDB55129	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-7,10,13-15,22-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB55128	TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,33-34,36-38,41-43,45-46,51,54,64H,4-7,10,13-15,22-24,31-32,35,39-40,44,47-50,52-53,55-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,54-51-
HMDB54838	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,54,57,66H,4-15,22-24,31-33,40-42,49-53,55-56,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,57-54-
HMDB54839	TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,52,54-55,57,66H,4-15,22-24,31-33,40-42,49-51,53,56,58-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,57-54-
HMDB54830	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,52,55,66H,4-15,22-24,31-33,40-42,49-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-
HMDB54831	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-41,43-44,62H,4-8,10-11,13-15,22-24,30-31,37-39,42,45-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-
HMDB54832	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40-45,62H,4-8,10-11,13-15,22-24,30-31,37-39,46-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-
HMDB54833	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-8,10-11,13-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB54834	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,36-38,41-43,45-47,50,64H,4-8,10-11,13-15,22-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB54835	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,66H,4-6,8-9,11-15,22-24,31-33,40-42,49-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB54836	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43-48,52,55,66H,4-6,8-9,11-15,22-24,31-33,40-42,49-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-
HMDB54837	TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB29988	Bis(2-furanylmethyl) disulfide	C(SSCC1=CC=CO1)C1=CC=CO1	InChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2
HMDB30648	Artemidiol	CCC(O)C(O)C1=CC2=CC=CC=C2C(=O)O1	InChI=1S/C13H14O4/c1-2-10(14)12(15)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12,14-15H,2H2,1H3
HMDB37613	Capsoside A	CCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)C\C=C\CC	InChI=1S/C33H58O15/c1-3-5-7-8-9-10-11-12-14-15-24(35)43-18-21(46-25(36)16-13-6-4-2)19-44-32-31(42)29(40)27(38)23(48-32)20-45-33-30(41)28(39)26(37)22(17-34)47-33/h6,13,21-23,26-34,37-42H,3-5,7-12,14-20H2,1-2H3/b13-6+
HMDB37612	C.I. Acid Blue 3	[Ca++].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S(O)(=O)=O)S([O-])(=O)=O	InChI=1S/C27H32N2O6S2.Ca/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+2
HMDB39829	Sativoside R2	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-49-41(68)35(62)28(61)20-72-49)82-52-44(71)46(37(64)31(16-58)76-52)80-51-42(69)39(66)36(63)30(15-57)75-51/h21-53,57-71H,5-20H2,1-4H3
HMDB37611	Lucidenic acid A	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18,28H,7-13H2,1-6H3,(H,32,33)
HMDB43834	TG(16:0/14:0/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-
HMDB37610	Lucidenic acid B	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C27H38O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-16,23,28,34H,7-12H2,1-6H3,(H,31,32)
HMDB37617	xi-2,3-Dimethylhexane	CCCC(C)C(C)C	InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
HMDB29985	13,15-Triacontanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCC	InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30(32)28-29(31)26-24-22-20-18-14-12-10-8-6-4-2/h3-28H2,1-2H3
HMDB29986	2,3,4-Trimethyltriacontane	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(C)C(C)C	InChI=1S/C33H68/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32(4)33(5)31(2)3/h31-33H,6-30H2,1-5H3
HMDB59234	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-44,48-49,51-52,59-60,63-64,81-83,88H,5-20,23-24,27,29-31,38-39,45-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB06548	Ecgonine	CN1C2CCC1[C@H]([C@@H](O)C2)C(O)=O	InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8+/m0/s1
HMDB06547	Stearidonic acid	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O	InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
HMDB30646	(Z)-3-(1-Butenyl)-1H-2-benzopyran-1-one	CC\C=C/C1=CC2=CC=CC=C2C(=O)O1	InChI=1S/C13H12O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h3-9H,2H2,1H3/b7-3-
HMDB06543	Debrisoquine	NC(=N)N1CCC2=CC=CC=C2C1	InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
HMDB06540	cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	CC(C)C(=C)C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@@H](O)C1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8+/t20-,23+,24?,25+,29-/m1/s1
HMDB09252	PE(20:1(11Z)/15:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,38H,3-16,19-37,41H2,1-2H3,(H,44,45)/b18-17-/t38-/m1/s1
HMDB09253	PE(20:1(11Z)/16:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,39H,3-16,19-38,42H2,1-2H3,(H,45,46)/b18-17-/t39-/m1/s1
HMDB09250	PE(20:1(11Z)/14:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h16-17,37H,3-15,18-36,40H2,1-2H3,(H,43,44)/b17-16-/t37-/m1/s1
HMDB09251	PE(20:1(11Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,16-17,37H,3-9,11,13-15,18-36,40H2,1-2H3,(H,43,44)/b12-10-,17-16-/t37-/m1/s1
HMDB09256	PE(20:1(11Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,41H,3-13,15,18,20-40,44H2,1-2H3,(H,47,48)/b16-14-,19-17-/t41-/m1/s1
HMDB09257	PE(20:1(11Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17-19,21,41H,3-16,20,22-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-/t41-/m1/s1
HMDB32388	Methyl n-acetylanthranilate	COC(=O)C1=CC=CC=C1NC(C)=O	InChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
HMDB32389	Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer	COC1=CC=C(C=C1)C(=O)NNC(=O)CSC1=NN=C(N1C)C1=CN=CC=C1	InChI=1S/C18H18N6O3S/c1-24-16(13-4-3-9-19-10-13)21-23-18(24)28-11-15(25)20-22-17(26)12-5-7-14(27-2)8-6-12/h3-10H,11H2,1-2H3,(H,20,25)(H,22,26)
HMDB32386	2-Methylacetophenone	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O	InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)
HMDB32387	(+/-)-Methyl 5-acetoxyhexanoate	COC(=O)CCCC(C)OC(C)=O	InChI=1S/C9H16O4/c1-7(13-8(2)10)5-4-6-9(11)12-3/h7H,4-6H2,1-3H3
HMDB32384	2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers)	CSC1=NC=CN=C1C	InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
HMDB32385	Methyl methacrylate	COC(=O)C(C)=C	InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
HMDB32382	N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide	COC1=CC(C)=CC=C1CNC(=O)C(=O)NCCC1=NC=C(C)C=C1	InChI=1S/C19H23N3O3/c1-13-4-6-15(17(10-13)25-3)12-22-19(24)18(23)20-9-8-16-7-5-14(2)11-21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,23)(H,22,24)
HMDB32383	N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide	COC1=CC(C)=CC=C1CNC(=O)C(=O)NCCC1=NC=CC=C1	InChI=1S/C18H21N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)
HMDB32380	(S1)-Methoxy-3-heptanethiol	CCCC[C@H](S)CCOC	InChI=1S/C8H18OS/c1-3-4-5-8(10)6-7-9-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1
HMDB32381	2-Methoxy-(3 or 5 or 6)-isopropylpyrazine	CC(C)COC1=CN=CC=N1	InChI=1S/C8H12N2O/c1-7(2)6-11-8-5-9-3-4-10-8/h3-5,7H,6H2,1-2H3
HMDB04035	22b-Hydroxycholesterol	[H][C@@]12CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
HMDB01005	(S)-Ureidoglycolic acid	NC(=O)N[C@@H](O)C(O)=O	InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1
HMDB01004	Oxoamide	CNC(=O)CCC(=O)C1=CN=CC=C1	InChI=1S/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)
HMDB01003	Adenosine phosphosulfate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O	InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1
HMDB04030	21-Deoxycortisol	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-/m0/s1
HMDB01000	dUDP	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
HMDB57413	CL(16:1(9Z)/16:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-27,30-31,33-34,69-71,76H,5-25,28-29,32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,34-33-/t69?,70-,71-/m1/s1
HMDB57412	CL(16:1(9Z)/16:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-27,29-31,69-71,76H,5-24,28,32-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-,31-27-/t69?,70-,71-/m1/s1
HMDB57411	CL(16:1(9Z)/16:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C73H136O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,67-69,74H,5-24,28,32-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,30-26-,31-27-/t67?,68-,69-/m1/s1
HMDB57410	CL(16:1(9Z)/16:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-27,30-31,69-71,76H,5-25,28-29,32-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-/t69?,70-,71-/m1/s1
HMDB57417	CL(16:1(9Z)/16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,28-29,32,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,31-27-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1
HMDB04038	Resolvin D5	CC\C=C/C[C@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)\C=C/CCCC(O)=O	InChI=1S/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-8,10-13,16-18,20-21,23-24H,2,4,9,14-15,19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,16-11+,17-12+,18-13-/t20-,21+/m0/s1
HMDB01009	N-Methylnicotinium	CN1CCCC1C1=CC=C[N+](C)=C1	InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1
HMDB01008	Biliverdin	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N\C(=C\C2=NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O	InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14-,28-15-
HMDB40167	3-Octanol, 9CI; ()-form, Ac	CCCCCC(CC)OC(C)=O	InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
HMDB40166	Decyl acetate	CCCCCCCCCCOC(C)=O	InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
HMDB40165	Butyl levulinate	CCCCOC(=O)CCC(C)=O	InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
HMDB40164	4-Methyldibenzothiophene	CC1=CC=CC2=C1SC1=C2C=CC=C1	InChI=1S/C13H10S/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3
HMDB40163	Hexyl 2-methyl-4-pentenoate	CCCCCCOC(=O)C(C)CC=C	InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,11H,2,4,6-10H2,1,3H3
HMDB40162	(3S,3'S,all-E)-Zeaxanthin	O[C@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
HMDB48310	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,54H,4-7,9-10,12-14,21-23,28-29,34-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB48311	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,38,41,54H,4-7,9-10,12-14,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB48312	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,33,35,56H,4-7,9-10,12-14,21-23,28-32,34,36-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,35-33-
HMDB48313	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31,33-35,37,56H,4-7,9-10,12-14,21-23,28,30,32,36,38-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-
HMDB48314	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31,33-35,37,43,46,56H,4-7,9-10,12-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-
HMDB48315	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,52H,4-6,9,12-14,21-23,27,30,32-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-
HMDB40169	xi-5-Hydroxydodecanoic acid	CCCCCCCC(O)CCCC(O)=O	InChI=1S/C12H24O3/c1-2-3-4-5-6-8-11(13)9-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
HMDB40168	Glycerol 1-(5-hydroxydodecanoate)	CCCCCCCC(O)CCCC(=O)OCC(O)CO	InChI=1S/C15H30O5/c1-2-3-4-5-6-8-13(17)9-7-10-15(19)20-12-14(18)11-16/h13-14,16-18H,2-12H2,1H3
HMDB51712	TG(22:1(13Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,33,35,40,43,49,52,63H,4-6,8-9,11-14,17,20-23,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,35-33-,43-40-,52-49-
HMDB51713	TG(22:1(13Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,60H,4-13,15-16,18-22,24,27,29-59H2,1-3H3/b17-14-,26-23-,28-25-
HMDB51710	TG(22:1(13Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,36,38,44,47,61H,4-7,9-10,12-14,16,19,21-23,30-35,37,39-43,45-46,48-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,38-36-,47-44-
HMDB51711	TG(22:1(13Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,33,35,40,43,63H,4-6,8-9,11-14,17,20-23,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,35-33-,43-40-
HMDB51716	TG(22:1(13Z)/20:3n6/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35,37,40,61H,4-16,18-19,22-23,27,31-34,36,38-39,41-60H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-30-,40-37-
HMDB51717	TG(22:1(13Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,39-40,43,60H,4-16,19,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-
HMDB51714	TG(22:1(13Z)/20:3n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,64H,4-17,19-20,22-24,31-39,41-42,44-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-
HMDB51715	TG(22:1(13Z)/20:3n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,66H,4-17,19-20,22-24,31-41,43-44,46-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-
HMDB51718	TG(22:1(13Z)/20:3n6/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,37,40,61H,4-14,16,19,21-23,30-36,38-39,41-60H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,40-37-
HMDB51719	TG(22:1(13Z)/20:3n6/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36,38-39,41,62H,4-16,19,22-24,31-35,37,40,42-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-
HMDB43831	TG(16:0/14:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB59233	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-37,40-43,48-49,51-52,59-60,63-64,81-83,88H,5-20,23-24,29-30,35,38-39,44-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB33262	Solanolone	CC1=CC2=C(C=C1O)C(=O)C(O)C1CCC(O)C(O)C21	InChI=1S/C15H18O5/c1-6-4-8-9(5-11(6)17)14(19)13(18)7-2-3-10(16)15(20)12(7)8/h4-5,7,10,12-13,15-18,20H,2-3H2,1H3
HMDB46649	TG(22:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,33-34,59H,4-8,10-11,13-17,19,22,24-26,28,30-32,35-58H2,1-3H3/b12-9-,21-18-,23-20-,33-27-,34-29-
HMDB33260	Capsanthin 3,6-epoxide	C\C(\C=C\C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC(CC1(C)C)CC2(C)O	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20-
HMDB33261	Mulberrofuran M	CC12CC(C3=C(C4=C(O3)C=C(C=C4OC(=O)C3=C(O)C=C(O)C=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=O)C1=CC=C(O)C=C1O2	InChI=1S/C34H22O10/c1-34-14-22(20-6-4-19(37)13-26(20)44-34)31-30(32(34)39)29-27(42-31)9-16(24-8-15-2-3-18(36)12-25(15)41-24)10-28(29)43-33(40)21-7-5-17(35)11-23(21)38/h2-13,22,35-38H,14H2,1H3
HMDB33266	Gossyrubilone	CC(C)CC\N=C\C1=C(O)C(O)=C(C(C)C)C2=C1C(=O)C=C(C)C2=O	InChI=1S/C20H25NO4/c1-10(2)6-7-21-9-13-16-14(22)8-12(5)18(23)17(16)15(11(3)4)20(25)19(13)24/h8-11,24-25H,6-7H2,1-5H3/b21-9+
HMDB33267	Bisnorbadioquinone A	OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC2=C(C=C1)C(=O)C(=O)C=C2C1=C(O)\C(OC1=O)=C(/C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1	InChI=1S/C34H18O14/c35-16-6-1-13(2-7-16)23(31(41)42)29-27(39)22(33(45)47-29)15-5-10-18-19(11-15)20(12-21(37)26(18)38)25-28(40)30(48-34(25)46)24(32(43)44)14-3-8-17(36)9-4-14/h1-12,35-36,39-40H,(H,41,42)(H,43,44)/b29-23-,30-24+
HMDB33264	2',4',5,7,8-Pentahydroxyisoflavone	OC1=CC=C(C(O)=C1)C1=COC2=C(C(O)=CC(O)=C2O)C1=O	InChI=1S/C15H10O7/c16-6-1-2-7(9(17)3-6)8-5-22-15-12(13(8)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H
HMDB33265	2-Methoxystypandrone	COC1=CC(=O)C2=C(C=C(C)C(C(C)=O)=C2O)C1=O	InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
HMDB46640	TG(22:0/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,39,65H,4-20,22-23,26-27,29,31-38,40-64H2,1-3H3/b24-21-,28-25-,39-30-
HMDB46641	TG(22:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29-30,34-35,60H,4-19,22,25-28,31-33,36-59H2,1-3H3/b23-20-,24-21-,34-29-,35-30-
HMDB33268	1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone	COC1=CC2=C(C(O)=C1OC)C(=O)C1=C(C(O)=C(C)C(O)=C1)C2=O	InChI=1S/C17H14O7/c1-6-9(18)4-7-11(13(6)19)15(21)8-5-10(23-2)17(24-3)16(22)12(8)14(7)20/h4-5,18-19,22H,1-3H3
HMDB33269	5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene	OC(CCl)C#CC1=CC=C(S1)C1=CC=CS1	InChI=1S/C12H9ClOS2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,14H,8H2
HMDB46644	TG(22:0/18:2(9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35-36,38,61H,4-16,18-19,22-23,25,27-28,31-34,37,39-60H2,1-3H3/b20-17-,24-21-,29-26-,35-30-,38-36-
HMDB46645	TG(22:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35-36,38,44,47,61H,4-16,18-19,22-23,25,27-28,31-34,37,39-43,45-46,48-60H2,1-3H3/b20-17-,24-21-,29-26-,35-30-,38-36-,47-44-
HMDB46646	TG(22:0/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,37,63H,4-15,17-18,20,22-23,26-27,29,31-36,38-62H2,1-3H3/b19-16-,24-21-,28-25-,37-30-
HMDB46647	TG(22:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,33,35,37,40,43,63H,4-15,17-18,20,22-23,26-27,29,31-32,34,36,38-39,41-42,44-62H2,1-3H3/b19-16-,24-21-,28-25-,35-33-,37-30-,43-40-
HMDB09788	PI(16:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,37,40-45,48-52H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09789	PI(16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,37,40-45,48-52H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-,28-26-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB41694	5-Hydroxyenterolactone	[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])C([H])([H])OC(=O)[C@]1([H])C([H])([H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H]	InChI=1S/C18H18O5/c19-14-3-1-2-11(5-14)4-13-10-23-18(22)17(13)8-12-6-15(20)9-16(21)7-12/h1-3,5-7,9,13,17,19-21H,4,8,10H2/t13-,17+/m0/s1
HMDB41695	6'-Hydroxy-O-desmethylangolensin	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])(C(=O)C1=C(O[H])C([H])=C(O[H])C([H])=C1O[H])C([H])([H])[H]	InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)15(20)14-12(18)6-11(17)7-13(14)19/h2-8,16-19H,1H3
HMDB41692	5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone	[H]OC1=C([H])C(=C([H])C(O[H])=C1[H])C([H])([H])C1([H])OC(=O)C([H])([H])C1([H])[H]	InChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2
HMDB41693	5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(O[H])=C([H])C(=C2[H])C([H])([H])C2([H])OC(=O)C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9?,12-,13-,14+,15-,17+/m0/s1
HMDB41690	5,7-Dihydroxy-8,4'-dimethoxyisoflavone	[H]OC1=C([H])C(O[H])=C(OC([H])([H])[H])C2=C1C(=O)C(=C([H])O2)C1=C(O[H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C17H14O7/c1-22-8-3-4-9(11(18)5-8)10-7-24-17-14(15(10)21)12(19)6-13(20)16(17)23-2/h3-7,18-20H,1-2H3
HMDB41691	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone	[H]OC1=C([H])C(=C([H])C(O[H])=C1O[H])C([H])([H])C1([H])OC(=O)C([H])([H])C1([H])[H]	InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2
HMDB09780	PI(16:0/16:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC	InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h8,10,14,16,33,36-41,44-48H,3-7,9,11-13,15,17-32H2,1-2H3,(H,49,50)/b10-8-,16-14-/t33-,36?,37-,38?,39?,40?,41-/m1/s1
HMDB09781	PI(16:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H83O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09782	PI(16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35,38-43,46-50H,3-12,14,16-34H2,1-2H3,(H,51,52)/b15-13-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09783	PI(16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09784	PI(16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09785	PI(16:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09786	PI(16:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40-45,48-52H,3-10,12,14-16,19-36H2,1-2H3,(H,53,54)/b13-11-,18-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09787	PI(16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,37,40-45,48-52H,3-16,19,21,23-25,27,29-36H2,1-2H3,(H,53,54)/b18-17-,22-20-,28-26-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB01168	2,4-Decadienoyl-CoA	CCCCC\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8+,11-10+/t20-,24-,25-,26?,30-/m1/s1
HMDB09356	PE(20:3(8Z,11Z,14Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,41H,3-10,12,14-16,20,24-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-/t41-/m1/s1
HMDB02068	Erucic acid	CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O	InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
HMDB02064	N-Acetylputrescine	CC(=O)NCCCCN	InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
HMDB02065	6-Lactoyltetrahydropterin	CC(O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2	InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)
HMDB02067	O-b-D-Gal-(1-&gt;3)-O-[O-b-D-Gal-(1-&gt;4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1-&gt;6)]-2-(acetylamino)-2-deoxy- D-Galactose	CC(=O)NC(C=O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO[C@@H]1O[C@H](CO)C(O[C@@H]2O[C@H](CO)C(O)C(O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O	InChI=1S/C28H48N2O21/c1-8(35)29-10(3-31)24(50-27-22(44)20(42)17(39)12(4-32)47-27)16(38)11(37)7-46-26-15(30-9(2)36)19(41)25(14(6-34)49-26)51-28-23(45)21(43)18(40)13(5-33)48-28/h3,10-28,32-34,37-45H,4-7H2,1-2H3,(H,29,35)(H,30,36)/t10?,11-,12-,13-,14-,15-,16+,17+,18?,19-,20+,21?,22-,23-,24-,25?,26-,27+,28+/m1/s1
HMDB02060	O-6-deoxy-a-L-galactopyranosyl-(1-&gt;2)-O-b-D-galactopyranosyl-(1-&gt;3)-2-(acetylamino)-2-deoxy-D-Galactose	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C20H35NO15/c1-6-11(27)14(30)16(32)19(33-6)36-18-15(31)13(29)10(5-24)34-20(18)35-17(12(28)9(26)4-23)8(3-22)21-7(2)25/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1
HMDB02061	Hyaluronic acid	CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC2O[C@@H]([C@@H](OC)[C@H](O)[C@H]2O)C(O)=O)[C@H]1NC(C)=O	InChI=1S/C16H27NO12/c1-5(19)17-7-11(8(20)6(4-18)27-15(7)26-3)28-16-10(22)9(21)12(25-2)13(29-16)14(23)24/h6-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t6-,7-,8-,9-,10-,11-,12+,13+,15-,16?/m1/s1
HMDB02062	Norepinephrine sulfate	NC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1	InChI=1S/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)/t7-/m0/s1
HMDB02063	Heptacosanoic acid	CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)
HMDB41348	Gibberellin A100	CC12CCCC(C)(C1C(C(O)=O)C13CC(O)(CCC21)C(=C)C3O)C(O)=O	InChI=1S/C20H28O6/c1-10-14(21)20-9-19(10,26)8-5-11(20)17(2)6-4-7-18(3,16(24)25)13(17)12(20)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)
HMDB41349	Gibberellin A102	CC1(CCCC2(C=O)C3CCC4(O)CC3(C(O)C4=C)C(C12)C(O)=O)C(O)=O	InChI=1S/C20H26O7/c1-10-14(22)20-8-19(10,27)7-4-11(20)18(9-21)6-3-5-17(2,16(25)26)13(18)12(20)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26)
HMDB47761	TG(14:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30,33,51H,4-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-30-
HMDB41344	Amaranthussaponin IV	CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(=C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C=O)OC(C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C47H70O20/c1-19-9-12-47(42(61)67-40-32(56)30(54)28(52)24(17-48)63-40)14-13-45(5)21(22(47)15-19)7-8-26-43(3)16-23(50)37(44(4,18-49)25(43)10-11-46(26,45)6)66-41-34(58)35(33(57)36(65-41)38(59)60)64-39-31(55)29(53)27(51)20(2)62-39/h7,18,20,22-37,39-41,48,50-58H,1,8-17H2,2-6H3,(H,59,60)
HMDB41345	2,3-Diethyl-5-methylpyrazine	CCC1=C(CC)N=C(C)C=N1	InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3
HMDB41346	2-Pyridinemethanethiol	SCC1=NC=CC=C1	InChI=1S/C6H7NS/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
HMDB41347	Elatoside G	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H56O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,19-27,29,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)
HMDB41340	Benzofenap	CN1N=C(C)C(C(=O)C2=CC=C(Cl)C(C)=C2Cl)=C1OCC(=O)C1=CC=C(C)C=C1	InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3
HMDB41341	Flupoxam	NC(=O)C1=NN(C(=N1)C1=CC=CC=C1)C1=CC=C(Cl)C(COCC(F)(F)C(F)(F)F)=C1	InChI=1S/C19H14ClF5N4O2/c20-14-7-6-13(8-12(14)9-31-10-18(21,22)19(23,24)25)29-17(11-4-2-1-3-5-11)27-16(28-29)15(26)30/h1-8H,9-10H2,(H2,26,30)
HMDB41342	Chinenoside II	CC(CCC1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(OC3OCC(O)C(O)C3O)C(O)C2O)O1)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3
HMDB41343	Chinenoside III	CC(CCC1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)O1)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3
HMDB49191	TG(18:1(11Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,32,58H,4-7,9-10,12-16,18-19,22-23,25,27-31,33-57H2,1-3H3/b11-8-,20-17-,24-21-,32-26-
HMDB49190	TG(18:1(11Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,32,34,40,43,49,52,62H,4-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,24-21-,28-25-,34-32-,43-40-,52-49-
HMDB49193	TG(18:1(11Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,38,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-
HMDB49192	TG(18:1(11Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,32,38,41,58H,4-7,9-10,12-16,18-19,22-23,25,27-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,24-21-,32-26-,41-38-
HMDB49195	TG(18:1(11Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,40,43,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,43-40-
HMDB49194	TG(18:1(11Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,38,44,47,60H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-,47-44-
HMDB49197	TG(18:1(11Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-
HMDB49196	TG(18:1(11Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,40,43,49,52,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,43-40-,52-49-
HMDB49199	TG(18:1(11Z)/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20,23,27,35,60H,4-19,21-22,24-26,28-34,36-59H2,1-3H3/b23-20-,35-27-
HMDB49198	TG(18:1(11Z)/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h20-21,23-24,60H,4-19,22,25-59H2,1-3H3/b23-20-,24-21-
HMDB54393	TG(22:2(13Z,16Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34,37,43,46,52,55,66H,4-15,18,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB44484	TG(16:0/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-
HMDB44485	TG(16:0/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,58H,4-7,9-10,12-16,18-19,21-24,28-32,34-57H2,1-3H3/b11-8-,20-17-,27-25-,33-26-
HMDB44486	TG(16:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,53H,4-7,9-10,12-16,18,21,23-25,30-52H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-
HMDB44487	TG(16:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,36,52H,4-7,9-10,12-15,18,21-24,29-32,34-35,37-51H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-33-
HMDB44480	TG(16:0/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28,52H,4-7,9-10,12-16,18,21,23-25,27,29-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-
HMDB44481	TG(16:0/18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,52H,4-7,9-10,12-16,18-19,21-24,29-51H2,1-3H3/b11-8-,20-17-,27-25-,28-26-
HMDB44482	TG(16:0/18:3(9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,54H,4-7,9-10,12-16,18-19,21-24,28,30-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-
HMDB44483	TG(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,38,41,54H,4-7,9-10,12-16,18-19,21-24,28,31,33-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,41-38-
HMDB54395	TG(22:2(13Z,16Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,36,42,45,62H,4-8,10-11,13-15,17,20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,36-27-,45-42-
HMDB59072	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-49-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,42,44-47,49-50,54,57,61,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,48,51-53,55-56,58-60,62-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,49-47-,54-50-,61-57-/t83?,84-,85-/m1/s1
HMDB47767	TG(14:1(9Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-
HMDB44488	TG(16:0/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,53H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-52H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-
HMDB44489	TG(16:0/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,54H,4-7,9-10,12-15,18,21-24,28,31,33-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-
HMDB54394	TG(22:2(13Z,16Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,36,62H,4-8,10-11,13-15,17,20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,36-27-
HMDB59370	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,69-70,87-89,94H,5-8,10,12,14,16-20,24,28-32,36,40-42,49-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB01166	3-Hydroxybutyryl-CoA	C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14-,18-,19-,20?,24-/m1/s1
HMDB01167	Pyruvaldehyde	CC(=O)C=O	InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
HMDB35437	Furostane-2,3,6,22,26-pentol; (2a,3b,5a,6a,22R,25R)-form, 22-Me ether, 3-O-[b-D-glucopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucopyranosyl-(1-&gt;4)-b-D-galactopyranoside], 26-O-b-D-glucopyranoside	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C	InChI=1S/C57H96O30/c1-20(18-77-50-44(73)40(69)37(66)31(14-58)80-50)6-9-57(76-5)21(2)35-30(87-57)11-24-22-10-26(62)25-12-29(27(63)13-56(25,4)23(22)7-8-55(24,35)3)79-52-46(75)42(71)47(34(17-61)83-52)84-54-49(86-53-45(74)41(70)38(67)32(15-59)81-53)48(39(68)33(16-60)82-54)85-51-43(72)36(65)28(64)19-78-51/h20-54,58-75H,6-19H2,1-5H3
HMDB59371	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-38,42-47,52-56,58,63-64,67-68,85-87,92H,5-8,10,12,14,16-20,24,29-31,39-41,48-51,57,59-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB47599	TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,34-35,40,42-43,45,60H,4-7,10,13-16,19,22-25,28-33,36-39,41,44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,43-40-,45-42-
HMDB47598	TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,34-35,42,45,60H,4-7,10,13-16,19,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,45-42-
HMDB47593	TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,39,44,47,62H,4-8,10-11,13-16,19,22-25,28,30-35,38,40-43,45-46,48-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-
HMDB47592	TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,35,43,46,61H,4-8,10-11,13,15-16,19-20,22,24-25,28-34,36-42,44-45,47-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,35-27-,46-43-
HMDB47591	TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,34-35,40,42-43,45,60H,4-8,10-11,13-16,19,22-25,28-33,36-39,41,44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,34-26-,35-27-,43-40-,45-42-
HMDB47590	TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,35-36,43,46,61H,4-8,10-11,13-17,19,22,24-26,28,30-34,37-42,44-45,47-60H2,1-3H3/b12-9-,21-18-,23-20-,35-27-,36-29-,46-43-
HMDB47597	TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,41,44,46,49-50,53,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-
HMDB47596	TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,41,44,46,49,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,44-41-,49-46-
HMDB47595	TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,46,49,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-,49-46-
HMDB47594	TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36-37,39,44-45,47-48,62H,4-8,10-11,13-16,19,22-25,28,30-35,38,40-43,46,49-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB59372	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,69-70,87-89,94H,5-8,10,12,14,16-20,24,29-31,36,40-42,49-52,55,59,61-64,67-68,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-/t87?,88-,89-/m1/s1
HMDB56588	CL(16:0/18:1(11Z)/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,30,73-75,80H,5-25,27-29,31-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-/t73?,74-,75-/m1/s1
HMDB42906	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31,33,37,40,46,49,58H,4-7,9-10,12-16,18-19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,20-17-,27-25-,33-31-,40-37-,49-46-
HMDB56589	CL(16:0/18:1(11Z)/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26-27,30-31,73-75,80H,5-25,28-29,32-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-/t73?,74-,75-/m1/s1
HMDB59515	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-50,57-58,61-62,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t80-,81-/m1/s1
HMDB59516	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,48-49,51-52,59-60,63-64,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB32609	2-(Methylamino)benzoic acid	CNC1=CC=CC=C1C(O)=O	InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
HMDB32608	4'-Methylacetophenone	CC(=O)C1=CC=C(C)C=C1	InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
HMDB39659	1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one	CC1CC2=C(NCCC2)C1=O	InChI=1S/C9H13NO/c1-6-5-7-3-2-4-10-8(7)9(6)11/h6,10H,2-5H2,1H3
HMDB39658	1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one	CC1CC(=O)C2=C1CCCN2	InChI=1S/C9H13NO/c1-6-5-8(11)9-7(6)3-2-4-10-9/h6,10H,2-5H2,1H3
HMDB03339	D-Glutamic acid	N[C@H](CCC(O)=O)C(O)=O	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
HMDB03338	Hydroxylamine	NO	InChI=1S/H3NO/c1-2/h2H,1H2
HMDB32603	2-Hydroxy-4-methylbenzaldehyde	CC1=CC(O)=C(C=O)C=C1	InChI=1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
HMDB39654	Ethyl 1-(methylthio)propyl disulfide	CCSSC(CC)SC	InChI=1S/C6H14S3/c1-4-6(7-3)9-8-5-2/h6H,4-5H2,1-3H3
HMDB39657	1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one	O=C1CCC2=C1NCCC2	InChI=1S/C8H11NO/c10-7-4-3-6-2-1-5-9-8(6)7/h9H,1-5H2
HMDB32600	Ptelatoside A	OC1COC(OCC2OC(OC3=CC=C(C=C)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C19H26O10/c1-2-9-3-5-10(6-4-9)28-19-17(25)15(23)14(22)12(29-19)8-27-18-16(24)13(21)11(20)7-26-18/h2-6,11-25H,1,7-8H2
HMDB32607	1-(4-Hydroxyphenyl)-1,2-propanediol, 9CI; (1RS,2SR)-form, 4'-Me ether	COC1=CC=C(C=C1)C(O)C(C)O	InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3
HMDB32606	3-Methoxybenzoic acid	COC1=CC(=CC=C1)C(O)=O	InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
HMDB32605	Methyl 2-methoxybenzoate	COC(=O)C1=CC=CC=C1OC	InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
HMDB39652	2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one	CC1C(C)C(=O)C(O)=C1C	InChI=1S/C8H12O2/c1-4-5(2)7(9)8(10)6(4)3/h4-5,10H,1-3H3
HMDB59512	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,70-72,74-76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-69,73,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB01786	Ethenodeoxyadenosine	OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CN1C=CN=C21	InChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9+/m0/s1
HMDB56583	CL(16:0/18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,38,42,50,54,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB58099	CL(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB59513	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69,72-73,76,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,70-71,74-75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,76-72-/t91?,92-,93-/m1/s1
HMDB37543	()-(Z)-2-(5-Tetradecenyl)cyclobutanone	CCCCCCCC\C=C/CCCCC1CCC1=O	InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9-
HMDB37542	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[b-D-Apiofuranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C(OC2([H])OC([H])(C([H])([H])OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])OC2([H])OC([H])([H])C(O[H])(C([H])([H])O[H])C2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C(OC([H])([H])[H])=C2O[H]	InChI=1S/C33H40O22/c1-48-26-13(38)5-14-17(20(26)41)21(42)27(25(51-14)10-2-3-11(36)12(37)4-10)54-31-28(55-32-29(46)33(47,8-35)9-50-32)23(44)19(40)16(53-31)7-49-30-24(45)22(43)18(39)15(6-34)52-30/h2-5,15-16,18-19,22-24,28-32,34-41,43-47H,6-9H2,1H3
HMDB37541	Patuletin 3-gentiobioside	COC1=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2=O)C=C1O	InChI=1S/C28H32O18/c1-41-25-11(32)5-12-15(18(25)35)19(36)26(24(43-12)8-2-3-9(30)10(31)4-8)46-28-23(40)21(38)17(34)14(45-28)7-42-27-22(39)20(37)16(33)13(6-29)44-27/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3
HMDB37540	Margaritene	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C2O1	InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3
HMDB37547	1,1'-Oxybis[2,4-dibromobenzene]	BrC1=CC=C(OC2=CC=C(Br)C=C2Br)C(Br)=C1	InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
HMDB37546	2,2',3,4,4',5',6-Heptabromodiphenyl ether	BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1Br	InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H
HMDB37545	2,4-Dibromo-1-(4-bromophenoxy)benzene	BrC1=CC=C(OC2=CC=C(Br)C=C2Br)C=C1	InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H
HMDB37544	()-2-Dodecylcyclobutanone	CCCCCCCCCCCCC1CCC1=O	InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(15)17/h15H,2-14H2,1H3
HMDB59374	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,70-71,88-90,95H,5-8,10,12,14,16-20,24,29-31,36,41-43,51-53,56,60,62-65,68-69,72-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-/t88?,89-,90-/m1/s1
HMDB56586	CL(16:0/18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB37549	2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	COC1=CC=C2N(O)C(=O)C(O)OC2=C1OC	InChI=1S/C10H11NO6/c1-15-6-4-3-5-7(8(6)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3
HMDB37548	2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	COC1=C(OC)C=C2N(O)C(=O)C(O)OC2=C1	InChI=1S/C10H11NO6/c1-15-7-3-5-6(4-8(7)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3
HMDB56587	CL(16:0/18:1(11Z)/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h26,30,71-73,78H,5-25,27-29,31-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-/t71?,72-,73-/m1/s1
HMDB40905	Ipomeamaronolide	CC(C)CC(=O)CC1(C)CCC(O1)C1=CCOC1=O	InChI=1S/C15H22O4/c1-10(2)8-11(16)9-15(3)6-4-13(19-15)12-5-7-18-14(12)17/h5,10,13H,4,6-9H2,1-3H3
HMDB40904	Ipomeatetrahydrofuran	CC(C)CC(=O)CC1(C)CCC(O1)C(C)CCO	InChI=1S/C15H28O3/c1-11(2)9-13(17)10-15(4)7-5-14(18-15)12(3)6-8-16/h11-12,14,16H,5-10H2,1-4H3
HMDB40907	7-Pentacosanone	CCCCCCCCCCCCCCCCCCC(=O)CCCCCC	InChI=1S/C25H50O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25(26)23-21-8-6-4-2/h3-24H2,1-2H3
HMDB40906	Coixinden B	COC1=CC(O)(C(C)=O)C2=CC=C(OC)C=C12	InChI=1S/C13H14O4/c1-8(14)13(15)7-12(17-3)10-6-9(16-2)4-5-11(10)13/h4-7,15H,1-3H3
HMDB40901	13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid	CCCCCC(O)\C=C\C(=O)C(CCCCCCCC(O)=O)OC	InChI=1S/C19H34O5/c1-3-4-8-11-16(20)14-15-17(21)18(24-2)12-9-6-5-7-10-13-19(22)23/h14-16,18,20H,3-13H2,1-2H3,(H,22,23)/b15-14+
HMDB40900	()-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid	CCCCCC(O)\C=C\C(=O)CCCCCCCCC(O)=O	InChI=1S/C18H32O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h14-16,19H,2-13H2,1H3,(H,21,22)/b15-14+
HMDB40903	Ipomeabisfuran	CC1=COC(CC2(C)CCC(O2)C2=COC=C2)=C1	InChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3
HMDB40902	(E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one	CC(C)=CC(=O)C\C(C)=C\CCC1=COC=C1	InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+
HMDB40909	2-Hydroxy-22-methyltetracosanoic acid	CCC(C)CCCCCCCCCCCCCCCCCCCC(O)C(O)=O	InChI=1S/C25H50O3/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28/h23-24,26H,3-22H2,1-2H3,(H,27,28)
HMDB40908	4-Methylnonacosane	CCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC	InChI=1S/C30H62/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(3)28-5-2/h30H,4-29H2,1-3H3
HMDB59375	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-69,71-72,89-91,96H,5-8,10,12,14,16-20,29-32,41-43,47,51-52,54,61,63-64,66,70,73-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-/t89?,90-,91-/m1/s1
HMDB01876	Epinephrine sulfate	CNC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1	InChI=1S/C9H13NO6S/c1-10-5-8(12)6-2-3-9(7(11)4-6)16-17(13,14)15/h2-4,8,10-12H,5H2,1H3,(H,13,14,15)/t8-/m0/s1
HMDB01877	Valproic acid	CCCC(CCC)C(O)=O	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
HMDB01874	D-threo-Isocitric acid	O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1
HMDB01875	Methanol	CO	InChI=1S/CH4O/c1-2/h2H,1H3
HMDB01873	Isobutyric acid	CC(C)C(O)=O	InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
HMDB01870	Benzoic acid	OC(=O)C1=CC=CC=C1	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
HMDB01871	Epicatechin	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
HMDB51125	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36-37,40,42,45-46,49,62H,4-17,19-20,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB35432	Assamsaponin A	C\C=C(\C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO	InChI=1S/C57H88O25/c1-9-24(2)47(73)77-34-18-52(3,4)16-26-25-10-11-31-53(5)14-13-33(54(6,22-59)30(53)12-15-55(31,7)56(25,8)17-32(63)57(26,34)23-60)78-51-45(82-49-40(69)38(67)37(66)29(19-58)76-49)42(41(70)43(80-51)46(71)72)79-50-44(36(65)28(62)21-75-50)81-48-39(68)35(64)27(61)20-74-48/h9-10,22,26-45,48-51,58,60-70H,11-21,23H2,1-8H3,(H,71,72)/b24-9-
HMDB01878	Thymol	CC(C)C1=C(O)C=C(C)C=C1	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
HMDB01879	Aspirin	CC(=O)OC1=CC=CC=C1C(O)=O	InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
HMDB59464	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,69,73,88-90,95H,5-8,11-12,15-20,24,29-31,36,41-43,51-53,56,60,62-68,70-72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,73-69-/t88?,89-,90-/m1/s1
HMDB59465	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-53,56,60,62-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-/t88?,89-,90-/m1/s1
HMDB59466	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,69,73,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-53,56,60,62-68,70-72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,73-69-/t88?,89-,90-/m1/s1
HMDB59467	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,51-52,55-56,63,67,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-50,53-54,57-62,64-66,68-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,55-51-,56-52-,67-63-/t85?,86-,87-/m1/s1
HMDB59376	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,12-13,16,21-28,33-40,45-52,57-64,69-71,73-75,91-93,98H,5-8,10-11,14-15,17-20,29-32,41-44,53-56,65-68,72,76-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-/t91?,92-,93-/m1/s1
HMDB59461	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59462	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,51-52,55-56,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-50,53-54,57-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,55-51-,56-52-/t86-,87-/m1/s1
HMDB59463	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)83-103-90(95)77-73-69-65-61-57-53-50-47-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-48,51-53,55-57,63,67,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,49-50,54,58-62,64-66,68-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,55-51-,56-52-,57-53-,67-63-/t86?,87-,88-/m1/s1
HMDB59468	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,67,69,71,73,88-90,95H,5-8,11-12,15-20,24,29-31,36,41-43,51-53,56,60,62-66,68,70,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB59469	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,67,71,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-53,56,60,62-66,68-70,72-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,71-67-/t88?,89-,90-/m1/s1
HMDB43458	TG(15:0/20:2n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,58H,4-13,15-16,18-22,24-25,27-57H2,1-3H3/b17-14-,26-23-
HMDB43459	TG(15:0/20:2n6/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,48H,4-12,14,17,19-21,23,25-47H2,1-3H3/b16-13-,18-15-,24-22-
HMDB43456	TG(15:0/20:2n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,54H,4-13,15-16,18-22,24-25,27-53H2,1-3H3/b17-14-,26-23-
HMDB43457	TG(15:0/20:2n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,56H,4-13,15-16,18-22,24-25,27-55H2,1-3H3/b17-14-,26-23-
HMDB43454	TG(15:0/20:2n6/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h13,16,22,25,50H,4-12,14-15,17-21,23-24,26-49H2,1-3H3/b16-13-,25-22-
HMDB43455	TG(15:0/20:2n6/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,52H,4-12,14-15,17-21,23-24,26-51H2,1-3H3/b16-13-,25-22-
HMDB43452	TG(15:0/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,52H,4-16,18-19,21-25,27,29-32,34-35,37-51H2,1-3H3/b20-17-,28-26-,36-33-
HMDB43453	TG(15:0/20:2n6/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2)48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3/h13,16,22,25,49H,4-12,14-15,17-21,23-24,26-48H2,1-3H3/b16-13-,25-22-
HMDB43450	TG(15:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,33,36-37,40,55H,4-6,8-9,11-15,18,21-24,28,32,34-35,38-39,41-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-
HMDB43451	TG(15:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,33,36-37,40,42,45,55H,4-6,8-9,11-15,18,21-24,28,32,34-35,38-39,41,43-44,46-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,40-37-,45-42-
HMDB59377	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-40,45-52,57-64,69-70,73-74,91-93,98H,5-8,10,14,17-20,29-32,41-44,53-56,65-68,71-72,75-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-/t91?,92-,93-/m1/s1
HMDB35378	Hydrocyanite	O.O.O.O.O.[Cu++].[O-]S([O-])(=O)=O	InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2
HMDB35379	Sterebin E	C\C(=C\CO)\C=C\C1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C	InChI=1S/C20H34O4/c1-13(9-12-21)7-8-14-19(4)11-6-10-18(2,3)16(19)15(22)17(23)20(14,5)24/h7-9,14-17,21-24H,6,10-12H2,1-5H3/b8-7+,13-9-
HMDB35372	Licoagrodin	CC(C)=CCC1=C(O)C=CC(=C1)C12OC34C(OC5=C3C=CC(O)=C5CC=C(C)C)OC3=CC(O)=CC=C3C4C1C(=O)C1=CC(CC=C(C)C)=C(O)C=C1O2	InChI=1S/C45H44O9/c1-23(2)7-10-26-19-28(12-17-34(26)47)45-40(41(50)32-20-27(11-8-24(3)4)36(49)22-38(32)53-45)39-31-15-13-29(46)21-37(31)51-43-44(39,54-45)33-16-18-35(48)30(42(33)52-43)14-9-25(5)6/h7-9,12-13,15-22,39-40,43,46-49H,10-11,14H2,1-6H3
HMDB35373	Licoagroaurone	CC(C)=CCC1=C2O\C(=C/C3=CC=C(O)C(O)=C3)C(=O)C2=CC=C1O	InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3/b18-10-
HMDB35370	Pyranocyanin B	CC1=CC2=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C3=CC(O)=CC(O1)=C23)C1=CC=C(O)C(O)=C1	InChI=1S/C24H22O11/c1-9-4-12-18-15(32-9)6-11(26)7-16(18)33-22(10-2-3-13(27)14(28)5-10)23(12)35-24-21(31)20(30)19(29)17(8-25)34-24/h2-7,17,19-21,24-25,29-31H,8H2,1H3,(H2-,26,27,28)/p+1
HMDB35371	Licoagrochalcone D	COC1=C2CC(OC2=CC=C1\C=C\C(=O)C1=CC=C(O)C=C1)C(C)(C)O	InChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+
HMDB35376	2,4,7-Decatrienoic acid; (2E,4Z,7Z)-form, Et ester	CCOC(=O)\C=C\C=C/C\C=C/CC	InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h5-6,8-11H,3-4,7H2,1-2H3/b6-5-,9-8-,11-10+
HMDB35374	Oxepahyperforin	CC(C)C(=O)C12C(=O)C3(CC=C(C)C)OC1(O)C(CC=C(C)C)(CC(CC=C(C)C)C2(C)CCC=C(C)C)C3=O	InChI=1S/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3
HMDB35375	2,4,7-Decatrienoic acid; (2E,4E,7Z)-form, Et ester	CCOC(=O)\C=C\C=C\C\C=C/CC	InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h5-6,8-11H,3-4,7H2,1-2H3/b6-5-,9-8+,11-10+
HMDB36632	6-Hydroxyluteolin	OC1=CC2=C(C(O)=C1O)C(=O)C=C(O2)C1=CC(O)=C(O)C=C1	InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H
HMDB36633	Sinensetin	COC1=CC2=C(C(=O)C=C(O2)C2=CC(OC)=C(OC)C=C2)C(OC)=C1OC	InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
HMDB36630	Trifolirhizin	OCC1OC(OC2=CC=C3C4OC5=C(C=C6OCOC6=C5)C4COC3=C2)C(O)C(O)C1O	InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2
HMDB36631	Morusin	CC(C)=CCC1=C(OC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O)C1=CC=C(O)C=C1O	InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
HMDB36636	Tanshinonic acid; Me ester	COC(=O)C1(C)CCCC2=C1C=CC1=C2C(=O)C(=O)C2=C1OC=C2C	InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3
HMDB36637	Mulberrofuran Q	CC12CC(C3=CC=C(O)C=C3O1)C13OC1(OC1=C(C3C2=O)C(O)=CC(=C1)C1=CC2=C(O1)C=C(O)C=C2)C1=CC=C(O)C=C1O	InChI=1S/C34H24O10/c1-32-14-22(20-6-4-19(37)13-27(20)42-32)33-30(31(32)40)29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)43-34(33,44-33)21-7-5-17(35)11-23(21)38/h2-13,22,30,35-39H,14H2,1H3
HMDB36634	Phlorizin	OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
HMDB36635	Hydroxytanshinone	CC1=COC2=C1C(=O)C(=O)C1=C2C=CC2=C1C(O)CCC2(C)C	InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,8,12,20H,6-7H2,1-3H3
HMDB36638	Albigenic acid	CC1(C)CCC2(C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)=C2C1)C(O)=O	InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h20-23,31-32H,8-17H2,1-7H3,(H,33,34)
HMDB36639	Glyyunnansapogenin B	CC12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C1CC(C)(C(O)C2)C(O)=O	InChI=1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)
HMDB38292	Menthadienyl acetate	CC(=C)C1CCC(=C)C(C1)OC(C)=O	InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3
HMDB38293	1-O-beta-D-Glucopyranosylaloeemodin	OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-6-8-4-10-15(18(27)14-9(16(10)25)2-1-3-11(14)24)12(5-8)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2
HMDB38290	Photocitral A	CC1CCC(C1C=O)C(C)=C	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8-10H,1,4-5H2,2-3H3
HMDB38291	2-Propenyl cyclohexanebutanoate	C=CCOC(=O)CCCC1CCCCC1	InChI=1S/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2
HMDB38296	4',5,7-Trihydroxyflavone; 4'-O-[4-Hydroxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 7-O-b-D-glucuronopyranoside	OC1C(OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(OC3OC(C(O)C(O)C3OC3OC(C(O)C(O)C3OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)=O)C(O)=O)C=C2)OC(C(O)C1O)C(O)=O	InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(46)63-35-29(51)27(49)34(39(58)59)66-42(35)67-36-30(52)28(50)33(38(56)57)65-41(36)60-17-8-4-15(5-9-17)21-13-20(45)24-19(44)11-18(12-22(24)62-21)61-40-31(53)25(47)26(48)32(64-40)37(54)55/h1-13,25-36,40-44,47-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+
HMDB38297	4',5,7-Trihydroxyflavone; 7-O-[4-Hydroxy-E-cinnamoyl-(-&gt;2)-[b-D-glucuronopyranosyl-(1-&gt;3)]-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	OC1C(OC2C(O)C(OC(OC3C(OC4=CC5=C(C(O)=C4)C(=O)C=C(O5)C4=CC=C(O)C=C4)OC(C(O)C3O)C(O)=O)C2OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)=O)OC(C(O)C1O)C(O)=O	InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(47)62-36-31(63-40-29(52)25(48)26(49)32(64-40)37(54)55)30(53)34(39(58)59)66-42(36)67-35-28(51)27(50)33(38(56)57)65-41(35)60-18-11-19(45)24-20(46)13-21(61-22(24)12-18)15-4-8-17(44)9-5-15/h1-13,25-36,40-45,48-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+
HMDB38294	4',5,7-Trihydroxyflavone; 7-O-[b-D-Glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 4'-O-b-D-glucuronopyranoside	OC1C(O)C(OC2C(O)C(O)C(OC2OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2)C(O)=O)OC(C1O)C(O)=O	InChI=1S/C33H34O23/c34-11-5-10(51-33-27(21(41)20(40)26(55-33)30(48)49)56-32-23(43)17(37)19(39)25(54-32)29(46)47)6-14-15(11)12(35)7-13(52-14)8-1-3-9(4-2-8)50-31-22(42)16(36)18(38)24(53-31)28(44)45/h1-7,16-27,31-34,36-43H,(H,44,45)(H,46,47)(H,48,49)
HMDB38295	4',5,7-Trihydroxyflavone; 4'-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC=C(C=C4)C4=CC(=O)C5=C(O4)C=C(O)C=C5O)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=CC=C1O	InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+
HMDB38298	4',5,7-Trihydroxyflavone; 4'-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 7-O-b-D-glucuronopyranoside	COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC=C(C=C4)C4=CC(=O)C5=C(O4)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C5O)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=C1	InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)62-16-6-4-15(5-7-16)21-13-20(46)25-19(45)11-17(12-23(25)64-21)63-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+
HMDB38299	Methylthiomethyl butyrate	CCCC(=O)OCSC	InChI=1S/C6H12O2S/c1-3-4-6(7)8-5-9-2/h3-5H2,1-2H3
HMDB55897	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-41,46-47,49-50,60H,4-6,9,12-15,18,21-24,29-30,35-37,42-45,48,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-
HMDB55896	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,34,37,42,45,56H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-33,35-36,38-41,43-44,46-55H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,37-34-,45-42-
HMDB58737	CL(18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB13926	Dehydrogenated ticlopidine	ClC1=CC=CC=C1CN1CC2=C(SC=C2)C=C1	InChI=1S/C14H12ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-8H,9-10H2
HMDB13925	Ticlopidine S-oxide	O[S+]1C=CC2=C1CCN(CC1=CC=CC=C1Cl)C2	InChI=1S/C14H15ClNOS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-18(14)17/h1-4,6,8,17H,5,7,9-10H2/q+1
HMDB13924	Thienodihydropyridinium	ClC1=CC=CC=C1C[N+]1=CC2=C(CC1)SC=C2	InChI=1S/C14H13ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8,10H,5,7,9H2/q+1
HMDB34779	Nordihydrocapsiate	COC1=CC(COC(=O)CCCCCC(C)C)=CC=C1O	InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3
HMDB34778	(2R*,3R*)-1,2,3-Butanetriol	CC(O)C(O)CO	InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3
HMDB13921	7-Hydroxyticlopidine	OC1CN(CC2=CC=CC=C2Cl)CC2=C1SC=C2	InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)7-16-8-11-5-6-18-14(11)13(17)9-16/h1-6,13,17H,7-9H2
HMDB58730	CL(18:2(9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB34774	Simmondsin; 3-O-De-Me, 2'-(4-hydroxy-3-methoxy-Z-cinnamoyl)	COC1CC(OC2OC(CO)C(O)C(O)C2OC(=O)\C=C/C2=CC(OC)=C(O)C=C2)\C(=C\C#N)C(O)C1O	InChI=1S/C25H31NO12/c1-34-16-9-12(3-5-14(16)28)4-6-19(29)38-24-23(33)22(32)18(11-27)37-25(24)36-15-10-17(35-2)21(31)20(30)13(15)7-8-26/h3-7,9,15,17-18,20-25,27-28,30-33H,10-11H2,1-2H3/b6-4-,13-7-
HMDB34777	Epidermin	CC(C)(CC#N)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C11H19NO6/c1-11(2,3-4-12)18-10-9(16)8(15)7(14)6(5-13)17-10/h6-10,13-16H,3,5H2,1-2H3
HMDB30819	Aesculetin	OC1=C(O)C=C2C=CC(=O)OC2=C1	InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
HMDB34771	3,7-Dimethyl-5-octene-1,7-diol; (3R,5E)-form, 1-O-b-D-Glucopyranoside	CC(CCOC1OC(CO)C(O)C(O)C1O)C\C=C\C(C)(C)O	InChI=1S/C16H30O7/c1-10(5-4-7-16(2,3)21)6-8-22-15-14(20)13(19)12(18)11(9-17)23-15/h4,7,10-15,17-21H,5-6,8-9H2,1-3H3/b7-4+
HMDB34770	2,6,11,15-Tetramethyl-2,4,6,8,10,12,14,16-octadecaoctaenedioic acid; (all-E)-form, 18-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenoyl) ester, 1-Me ester	COC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C43H60O4/c1-34(2)18-13-21-37(5)23-14-24-38(6)25-16-27-40(8)32-33-47-42(44)31-30-39(7)26-15-22-35(3)19-11-12-20-36(4)28-17-29-41(9)43(45)46-10/h11-12,15,17-20,22-23,25-26,28-32H,13-14,16,21,24,27,33H2,1-10H3/b12-11+,22-15+,28-17+,31-30+,35-19+,36-20+,37-23+,38-25+,39-26+,40-32+,41-29+
HMDB34773	Simmondsin; 4-O-De-Me, 2'-(4-hydroxy-3-methoxy-E-cinnamoyl)	COC1C(O)CC(OC2OC(CO)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)\C(=C\C#N)C1O	InChI=1S/C25H31NO12/c1-34-17-9-12(3-5-14(17)28)4-6-19(30)38-24-22(33)21(32)18(11-27)37-25(24)36-16-10-15(29)23(35-2)20(31)13(16)7-8-26/h3-7,9,15-16,18,20-25,27-29,31-33H,10-11H2,1-2H3/b6-4+,13-7-
HMDB34772	1,8-Epoxy-p-menthan-3-ol; (1R,3S,4S)-form, O-b-D-Glucopyranoside	CC1(C)OC2(C)CCC1C(C2)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-15(2)8-4-5-16(3,23-15)6-9(8)21-14-13(20)12(19)11(18)10(7-17)22-14/h8-14,17-20H,4-7H2,1-3H3
HMDB44101	TG(16:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,43,46,56H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-,46-43-
HMDB44100	TG(16:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,56H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-
HMDB44103	TG(16:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,33,36,52H,4-6,8-9,11-15,17-18,21-22,24,26,28-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,36-33-
HMDB44102	TG(16:0/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,52H,4-6,8-9,11-15,17-18,21-22,24,26,28-51H2,1-3H3/b10-7-,19-16-,23-20-,27-25-
HMDB44105	TG(16:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,38,41,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-,41-38-
HMDB44104	TG(16:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-
HMDB44107	TG(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,43,46,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-,46-43-
HMDB44106	TG(16:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-
HMDB44109	TG(16:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-
HMDB44108	TG(16:0/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB54028	TG(20:4(5Z,8Z,11Z,14Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,36-37,40,53H,4-7,9-10,12-15,18,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-
HMDB54027	TG(20:4(5Z,8Z,11Z,14Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,37,40,53H,4-7,9-10,12-15,18,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,40-37-
HMDB54026	TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-15,18,21-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-
HMDB04666	2-Arachidonylglycerol	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO	InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
HMDB01295	2-Hydroxyphytanoyl-CoA	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35?,39-/m1/s1
HMDB54023	TG(20:4(5Z,8Z,11Z,14Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,55H,4-15,18,21-24,29-30,35-37,40,43-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB04662	S-(Hydroxymethyl)glutathione	N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O	InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
HMDB15448	Troleandomycin	CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O	InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1
HMDB15449	Iohexol	CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I	InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
HMDB15446	Mestranol	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3	InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
HMDB15447	Penbutolol	CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1	InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1
HMDB15444	Hexobarbital	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1	InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
HMDB54020	TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38-39,42,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB15442	Butethal	CCCCC1(CC)C(=O)NC(=O)NC1=O	InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
HMDB15443	Heptabarbital	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1	InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
HMDB15440	Amobarbital	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O	InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
HMDB15441	Aprobarbital	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O	InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
HMDB56637	CL(16:0/18:1(9Z)/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h33-36,71-73,78H,5-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-,36-34-/t72-,73-/m1/s1
HMDB14710	Vinblastine	[H][C@@]12N(C)C3=C(C=C(C(OC)=C3)[C@]3(C[C@@H]4CN(C[C@](O)(CC)C4)CCC4=C3NC3=CC=CC=C43)C(=O)OC)[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H]	InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
HMDB14713	Fenoprofen	CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1	InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
HMDB14712	Atropine	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
HMDB14715	Sulfamethizole	CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1	InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
HMDB14714	Clonidine	ClC1=CC=CC(Cl)=C1NC1=NCCN1	InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
HMDB14717	Carbenicillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)C1=CC=CC=C1)C(O)=O	InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1
HMDB14716	Valaciclovir	CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1NC(N)=NC2=O	InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
HMDB14719	Lactulose	OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
HMDB14718	Mazindol	OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1	InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
HMDB59436	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,42-47,52-56,58,64,66,68,70,85-87,92H,5-8,11-12,15-20,24,29-31,39-41,48-51,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB38908	(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol	CC1=C(O)C=C(CCCCCCC\C=C/C\C=C\CC=C)C=C1O	InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h3,5-6,8-9,17-18,23-24H,1,4,7,10-16H2,2H3/b6-5+,9-8-
HMDB38909	2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol	CCC\C=C\C\C=C/CCCCCCCC1=CC(O)=C(C)C(O)=C1	InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h5-6,8-9,17-18,23-24H,3-4,7,10-16H2,1-2H3/b6-5+,9-8-
HMDB38902	Lupiwighteone	CC(C)=CCC1=C(O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(O)C=C1	InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
HMDB38903	Gancaonin M	COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2CC=C(C)C)C1=O	InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18(23)19-20(24)16(11-26-21(15)19)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
HMDB38900	2,3-Dehydrokievitol	C\C(CO)=C/CC1=C(O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(O)C=C1O	InChI=1S/C20H18O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,9,21-25H,4,8H2,1H3/b10-2+
HMDB38901	Gancaonin L	CC(C)=CCC1=C(O)C=C(O)C2=C1OC=C(C2=O)C1=CC(O)=C(O)C=C1	InChI=1S/C20H18O6/c1-10(2)3-5-12-15(22)8-17(24)18-19(25)13(9-26-20(12)18)11-4-6-14(21)16(23)7-11/h3-4,6-9,21-24H,5H2,1-2H3
HMDB38906	5-Octenyl propanoate	CC\C=C/CCCCOC(=O)CC	InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-
HMDB38907	3-Methylbutyl decanoate	CCCCCCCCCC(=O)OCCC(C)C	InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
HMDB38904	3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one	CC(=C)C1CC2=C(O1)C=C(O)C1=C2OC=C(C1=O)C1=CC=C(O)C=C1O	InChI=1S/C20H16O6/c1-9(2)16-6-12-17(26-16)7-15(23)18-19(24)13(8-25-20(12)18)11-4-3-10(21)5-14(11)22/h3-5,7-8,16,21-23H,1,6H2,2H3
HMDB38905	Isoangustone A	CC(C)=CCC1=C(O)C(O)=CC(=C1)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O	InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3
HMDB36199	2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol	COC1=CC(=CC=C1O)C1OCC(C)O1	InChI=1S/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3
HMDB36198	(+)-alpha-Bisabolol	[H][C@]1(CCC(C)=CC1)[C@](C)(O)CCC=C(C)C	InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1
HMDB36197	(-)-alpha-Bisabolol	[H][C@@]1(CCC(C)=CC1)[C@@](C)(O)CCC=C(C)C	InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
HMDB36196	(2E,4E)-2,4-Decadien-1-ol	CCCCC\C=C\C=C\CO	InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3/b7-6+,9-8+
HMDB36195	N,2,3-Trimethyl-2-(1-methylethyl)butanamide	CNC(=O)C(C)(C(C)C)C(C)C	InChI=1S/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)
HMDB36194	4-Methoxy-2-methyl-2-butanethiol	COCCC(C)(C)S	InChI=1S/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3
HMDB36193	3-Mercapto-3-methylbutyl formate	CC(C)(S)CCOC=O	InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3
HMDB36192	Apritone	CC(C)=CCC\C(C)=C\CC1CCCC1=O	InChI=1S/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10+
HMDB36191	5-(3-Hexenyl)dihydro-5-methyl-2(3H)-furanone, 9CI; ()-(Z)-form	CC\C=C\CCC1(C)CCC(=O)O1	InChI=1S/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3/b5-4+
HMDB36190	2-Heptylfuran	CCCCCCCC1=CC=CO1	InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
HMDB52428	TG(18:2(9Z,12Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,28,30,54H,4-12,14-15,17-19,21,24,26-27,29,31-53H2,1-3H3/b16-13-,23-20-,25-22-,30-28-
HMDB13156	16-alpha-Hydroxyandrosterone	C[C@]12CCC3C(CCC4C[C@H](O)CC[C@]34C)C1C[C@@H](O)C2=O	InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11?,12-,13?,14?,15?,16-,18+,19+/m1/s1
HMDB13157	18-Hydroxy-11-dehydrotetrahydrocorticosterone	C[C@]12CC[C@@H](O)CC1CCC1C3CC[C@H](C(=O)CO)[C@@]3(CO)CC(=O)C21	InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12?,13-,14?,15?,16-,19?,20+,21-/m1/s1
HMDB13154	12-Hydroxy-12-octadecanoylcarnitine	CCCCCCC(O)CCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C25H49NO5/c1-5-6-7-14-17-22(27)18-15-12-10-8-9-11-13-16-19-25(30)31-23(20-24(28)29)21-26(2,3)4/h22-23,27H,5-21H2,1-4H3
HMDB13158	1b,3a,7b-Trihydroxy-5b-cholanoic acid	C[C@]12CCC3C(C1CCC2[C@H](O)CCCC(O)=O)[C@@H](O)CC1C[C@H](O)C[C@@H](O)[C@]31C	InChI=1S/C24H40O6/c1-23-9-8-17-22(16(23)7-6-15(23)18(26)4-3-5-21(29)30)19(27)11-13-10-14(25)12-20(28)24(13,17)2/h13-20,22,25-28H,3-12H2,1-2H3,(H,29,30)/t13?,14-,15?,16?,17?,18+,19-,20+,22?,23+,24-/m0/s1
HMDB13159	2,3-Diaminosalicylic acid	NC1=CC=C(O)C(C(O)=O)=C1N	InChI=1S/C7H8N2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,8-9H2,(H,11,12)
HMDB10498	TG(18:3(9Z,12Z,15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,36,41,44,54H,4-6,9,12-15,18,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m1/s1
HMDB10499	TG(18:3(9Z,12Z,15Z)/16:0/18:3(9Z,12Z,15Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,52H,4-6,9,12-15,18,21-24,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-
HMDB10496	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-33,36,39,45,48,58H,4-6,8-9,11-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m1/s1
HMDB10497	TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,50H,4-6,9,12-15,18,21-23,28-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-
HMDB10494	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-33,36,39,58H,4-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB10495	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-33,36,39,58H,4-6,8-9,11-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB10492	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-32,34,56H,4-15,22-24,29,33,35-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-/t56-/m1/s1
HMDB10493	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-32,34,40,43,56H,4-6,8-9,11-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB10490	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,54H,4-6,8-9,11-15,22-24,31-53H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-/t54-/m0/s1
HMDB10491	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2(11Z,14Z))[iso3]	[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-31,56H,4-15,22-24,29,32-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1
HMDB12403	PS(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,38-39H,3-5,7,9-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
HMDB12402	PS(18:2(9Z,12Z)/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38-39H,3-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
HMDB12401	PS(18:2(9Z,12Z)/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,38-39H,3-10,12,14-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,19-17-,20-18-/t38-,39+/m1/s1
HMDB12400	PS(18:2(9Z,12Z)/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,38-39H,3-10,12,14-16,18,20-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,19-17-/t38-,39+/m1/s1
HMDB12407	PS(18:3(9Z,12Z,15Z)/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C38H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,34-35H,3-4,6,8-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,13-11-,17-16-/t34-,35+/m1/s1
HMDB12406	PS(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C46H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,42-43H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t42-,43+/m1/s1
HMDB12405	PS(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,40-41H,3-10,15-16,20,23,25-27,29,31-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t40-,41+/m1/s1
HMDB12404	PS(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C44H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,40-41H,3-10,15-16,20,23,25-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,14-12-,19-17-,21-18-,24-22-/t40-,41+/m1/s1
HMDB12409	PS(18:3(9Z,12Z,15Z)/16:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37H,3-4,6,8-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,18-17-/t36-,37+/m1/s1
HMDB12408	PS(18:3(9Z,12Z,15Z)/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C38H66NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,34-35H,3-4,6,8-9,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,12-10-,13-11-,17-16-/t34-,35+/m1/s1
HMDB43581	TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,38,41,59H,4-16,18-19,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,41-38-
HMDB43582	TG(15:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,40,43,61H,4-16,18-19,21-24,29-32,34-35,37-39,41-42,44-60H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,43-40-
HMDB00259	Serotonin	NCCC1=CNC2=CC=C(O)C=C12	InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
HMDB00258	Sucrose	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
HMDB59109	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-46-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-45-40-36-32-28-24-20-16-12-8-4)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,42,46-47,49-54,56,59,61-66,68,85-87,92H,5-8,10-12,14-20,29-32,41,43-45,48,55,57-58,60,67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,46-42-,51-47-,53-49-,54-50-,56-52-,63-59-,65-61-,66-62-,68-64-/t85?,86-,87-/m1/s1
HMDB59108	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)81-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-47,49-51,53,55,58,61-63,65,67,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,48,52,54,56-57,59-60,64,66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,53-49-,55-51-,62-58-,65-61-,67-63-/t84?,85-,86-/m1/s1
HMDB59107	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-46,48-50,52,54,57,60-62,64,66,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB00254	Succinic acid	OC(=O)CCC(O)=O	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
HMDB00257	Thiosulfate	[O-]S([S-])(=O)=O	InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
HMDB00256	Squalene	CC(C)=CCC\C(C)=C/CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23-,30-24+
HMDB00251	Taurine	NCCS(O)(=O)=O	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
HMDB00250	Pyrophosphate	[O-]P([O-])(=O)OP([O-])([O-])=O	InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4
HMDB00253	Pregnenolone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])C2CC=C2C[C@H](O)CC[C@]12C	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16?,17-,18+,19+,20+,21-/m1/s1
HMDB00252	Sphingosine	CCCCCCCCCCCCC\C=C\C(O)C(N)CO	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+
HMDB11172	L-gamma-glutamyl-L-valine	CC(C)C(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
HMDB11173	L-glycyl-L-hydroxyproline	NCC(=O)N1CC(O)CC1C(O)=O	InChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)
HMDB11170	L-gamma-glutamyl-L-isoleucine	CCC(C)C(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h6-7,9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)
HMDB11171	L-gamma-glutamyl-L-leucine	CC(C)CC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)
HMDB11176	L-phenylalanyl-L-hydroxyproline	NC(CC1=CC=CC=C1)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(18)16-8-10(17)7-12(16)14(19)20/h1-5,10-12,17H,6-8,15H2,(H,19,20)
HMDB11177	L-phenylalanyl-L-proline	NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(O)=O	InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)
HMDB11174	L-isoleucyl-L-proline	CCC(C)C(N)C(=O)N1CCCC1C(O)=O	InChI=1S/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)
HMDB11175	L-leucyl-L-proline	CC(C)CC(N)C(=O)N1CCCC1C(O)=O	InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)
HMDB11178	L-prolyl-L-glycine	OC(=O)CNC(=O)C1CCCN1	InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)
HMDB11179	L-prolyl-L-phenylalanine	OC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)
HMDB43583	TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,35,38,56H,4-15,17-18,21-22,24,26,29,33-34,36-37,39-55H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,38-35-
HMDB53884	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,47,50,62H,4-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB53885	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB53886	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-37,43,46,58H,4-8,10-11,13-15,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB53887	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-38,41,43,46,58H,4-8,10-11,13-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB53880	TG(20:3n6/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,59H,4-15,18,21-24,27,30-32,35,38-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB53881	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,45,48,60H,4-15,22-24,31-33,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB53882	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43,45-46,48,60H,4-15,22-24,31-33,40-42,44,47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB53883	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,38-39,41,47,50,62H,4-15,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB53888	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,45,48,60H,4-6,8-9,11-15,22-24,31-33,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB53889	TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43,45-46,48,60H,4-6,8-9,11-15,22-24,31-33,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB56884	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56883	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t80-,81-/m1/s1
HMDB43584	TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,34,36-37,39,55H,4-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-
HMDB56882	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-54,56-58,64,66,68,70,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,55,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB56881	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-54,56-58,64,68,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,55,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB56880	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,42-47,52-54,56-58,64,66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,39-41,48-51,55,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB31533	Rhamnalpinogenin	COC1=CC2=C(C(C)=C1C(O)=O)C(=O)C1=C(C=C(O)C=C1O)C2=O	InChI=1S/C17H12O7/c1-6-12-9(5-11(24-2)13(6)17(22)23)15(20)8-3-7(18)4-10(19)14(8)16(12)21/h3-5,18-19H,1-2H3,(H,22,23)
HMDB43586	TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,35-36,39,57H,4-15,18,21-24,29,31,34,37-38,40-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-
HMDB53260	TG(18:3(6Z,9Z,12Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,35,37,40,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-
HMDB53261	TG(18:3(6Z,9Z,12Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-6,8-9,11-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB53262	TG(18:3(6Z,9Z,12Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB53263	TG(18:3(6Z,9Z,12Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB53264	TG(20:2n6/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h13-14,16-17,22-25,52H,4-12,15,18-21,26-51H2,1-3H3/b16-13-,17-14-,24-22-,25-23-
HMDB53265	TG(20:2n6/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,30,32,53H,4-13,15,18,20-22,27-29,31,33-52H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,32-30-
HMDB53266	TG(20:2n6/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,30,32,37,40,53H,4-13,15,18,20-22,27-29,31,33-36,38-39,41-52H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,32-30-,40-37-
HMDB53267	TG(20:2n6/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,55H,4-13,15,18,20-22,27-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-
HMDB53268	TG(20:2n6/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,29-30,34,37,55H,4-13,15,18,20-22,27-28,31-33,35-36,38-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,30-29-,37-34-
HMDB53269	TG(20:2n6/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,29-30,34,37,42,45,55H,4-13,15,18,20-22,27-28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b17-14-,19-16-,25-23-,26-24-,30-29-,37-34-,45-42-
HMDB49353	TG(18:1(11Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,59H,4-13,15-16,18-20,22,27,29-58H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB49352	TG(18:1(11Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,32,38,41,58H,4-16,18-19,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,28-25-,32-26-,41-38-
HMDB06941	L-2-Aminoadipate adenylate	N[C@@H](CCCC(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O	InChI=1S/C16H23N6O10P/c17-7(16(26)27)2-1-3-9(23)32-33(28,29)30-4-8-11(24)12(25)15(31-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,28,29)(H2,18,19,20)/t7-,8?,11+,12+,15?/m0/s1
HMDB06940	9(S)-HPODE	CCCCC\C=C/C=C/C(CCCCCCCC(O)=O)OO	InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+
HMDB49357	TG(18:1(11Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,32,34,40,43,62H,4-15,17-18,20,22-23,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,43-40-
HMDB49356	TG(18:1(11Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,62H,4-15,17-18,20,22-23,27,30-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-
HMDB49355	TG(18:1(11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,35,38,44,47,60H,4-16,18-19,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,38-35-,47-44-
HMDB06944	1,4-beta-D-Glucan	[H][C@]1(O)O[C@@]([H])(CO)[C@](O)(O[C@@]2([H])O[C@@]([H])(CO)[C@](O)(O[C@@]3([H])O[C@@]([H])(CO)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O	InChI=1S/C18H32O18/c19-1-4-7(22)8(23)9(24)15(32-4)35-18(31)6(3-21)34-16(11(26)13(18)28)36-17(30)5(2-20)33-14(29)10(25)12(17)27/h4-16,19-31H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15+,16+,17-,18-/m0/s1
HMDB49359	TG(18:1(11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,32,58H,4-7,9-10,12-16,18-19,22-23,27,29-31,33-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,32-26-
HMDB49358	TG(18:1(11Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,32,34,40,43,49,52,62H,4-15,17-18,20,22-23,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB48804	TG(16:1(9Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,31,33,55H,4-6,8-9,11-13,15,18,20,22,28-30,32,34-54H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,33-31-
HMDB48805	TG(16:1(9Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,31,33,39,42,55H,4-6,8-9,11-13,15,18,20,22,28-30,32,34-38,40-41,43-54H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,33-31-,42-39-
HMDB48806	TG(16:1(9Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,30-31,35,38,57H,4-6,8-9,11-13,15,18,20,22,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,38-35-
HMDB48807	TG(16:1(9Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,30-31,35,38,44,47,57H,4-6,8-9,11-13,15,18,20,22,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,38-35-,47-44-
HMDB48800	TG(16:1(9Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,30-31,35,38,57H,4-13,15,18,20,22,28-29,32-34,36-37,39-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,38-35-
HMDB48801	TG(16:1(9Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,30-31,35,38,44,47,57H,4-13,15,18,20,22,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,38-35-,47-44-
HMDB48802	TG(16:1(9Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20-22,24-26,28,53H,4-7,9-10,12,14-15,18-19,23,27,29-52H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,28-26-
HMDB40299	2-Ethyl-3,5-dimethylpyrazine	CCC1=C(C)N=C(C)C=N1	InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
HMDB40298	2-Ethylbutanoic acid, 9CI; Et ester	CCOC(=O)C(CC)CC	InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3
HMDB40295	Butyl pentanoate	CCCCOC(=O)CCCC	InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
HMDB40294	Rutin, JAN; 2'''-O-a-L-Rhamnopyranosyl	CC1OC(OC2C(O)C(O)C(C)OC2OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)53-30-25(44)20(39)10(2)49-33(30)47-8-17-21(40)24(43)27(46)32(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3
HMDB40297	Ethyl pentanoate	CCCCC(=O)OCC	InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
HMDB40296	Propyl pentanoate	CCCCC(=O)OCCC	InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
HMDB40291	Erinacine A	CC(C)C1=C2C3=CC=C(CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1)C=O	InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3
HMDB40290	Butyl octadecanoate	CCCCCCCCCCCCCCCCCC(=O)OCCCC	InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
HMDB40293	(-)-Epigallocatechin 3-(4-methyl-gallate)	[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])[C@]([H])(OC(=O)C3=C([H])C(O[H])=C(OC([H])([H])[H])C(O[H])=C3[H])C2([H])[H])=C1[H]	InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1
HMDB40292	Imidacloprid	ClC1=CC=C(CN2CCN\C2=N\N(=O)=O)C=N1	InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
HMDB51132	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36-37,40,46,49,62H,4-8,10-11,13-17,19-20,22-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,40-37-,49-46-
HMDB51133	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36-37,40,42,45-46,49,62H,4-8,10-11,13-17,19-20,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB51130	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,40,43-44,47,49,52,66H,4-16,18-19,21-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB51131	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-16,18-19,21-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB51136	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,40,43-44,47,49,52,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB51137	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB51134	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,38-39,41-42,48,51,64H,4-7,9-10,12-16,18-19,21-24,31-37,40,43-47,49-50,52-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,42-39-,51-48-
HMDB51135	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,38-39,41-42,47-48,50-51,64H,4-7,9-10,12-16,18-19,21-24,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB03236	Solanidine	[H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C	InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
HMDB51138	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,37,40,46,49,63H,4-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b28-25-,29-26-,40-37-,49-46-
HMDB03235	Prostaglandin G2	[H][C@@]12C[C@@]([H])(OO1)[C@H](\C=C\[C@H](CCCCC)OO)[C@H]2C\C=C/CCCC(O)=O	InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
HMDB03233	Lutein	O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=CC(O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35?,36-,37+/m1/s1
HMDB03231	Vaccenic acid	CCCCCC\C=C/CCCCCCCCCC(O)=O	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
HMDB57992	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,29,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB57993	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,37-38,40-41,44,49,53,61,65,80-82,87H,5-20,22-24,29,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB57990	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,40-41,76-78,83H,5-24,28,32-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57991	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-32,37-38,41-42,77-79,84H,5-24,33-36,39-40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,31-27-,32-28-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB57996	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,40,43,50,54,75-77,82H,5-20,22-24,28-29,32,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57997	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37,42,44,52,56,77-79,84H,5-20,22-24,28-29,32,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB57994	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,37-38,40-41,44,49,53,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-48,50-52,54-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-/t80?,81-,82-/m1/s1
HMDB57995	CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,37-38,40-41,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB57998	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,40,43,50,54,75-77,82H,5-20,22-24,29,34-35,37-39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB57999	CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37,42,44,52,56,77-79,84H,5-20,22-24,29,34-36,38-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,37-33-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB56645	CL(16:0/18:1(9Z)/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h27,31,34,37,73-75,80H,5-26,28-30,32-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,37-34-/t73?,74-,75-/m1/s1
HMDB56644	CL(16:0/18:1(9Z)/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h34,37,73-75,80H,5-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b37-34-/t73?,74-,75-/m1/s1
HMDB56647	CL(16:0/18:1(9Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,30,33-34,69-71,76H,5-25,27-29,31-32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,34-33-/t69?,70-,71-/m1/s1
HMDB56646	CL(16:0/18:1(9Z)/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h34-35,37-38,73-75,80H,5-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b37-34-,38-35-/t73?,74-,75-/m1/s1
HMDB56641	CL(16:0/18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,44,48,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-/t75?,76-,77-/m1/s1
HMDB56640	CL(16:0/18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB56643	CL(16:0/18:1(9Z)/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h34,36,71-73,78H,5-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b36-34-/t71?,72-,73-/m1/s1
HMDB56642	CL(16:0/18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37-39,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB03405	D-Lysine	NCCCC[C@@H](N)C(O)=O	InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1
HMDB56649	CL(16:0/18:1(9Z)/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36,71-73,78H,5-24,26,28,30,32-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,36-34-/t71?,72-,73-/m1/s1
HMDB56648	CL(16:0/18:1(9Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,28,30,32-34,69-71,76H,5-25,27,29,31,35-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,32-28-,34-33-/t69?,70-,71-/m1/s1
HMDB55598	TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,32,35-36,38-41,43,47,50,62H,4-6,9,12-15,18,21-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB55599	TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-6,9,12-15,18,21-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB55590	TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,34,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33,35-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,34-32-
HMDB55591	TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,60H,4-6,9,12-15,18,21-24,31-33,36,39-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB55592	TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43,46,60H,4-6,9,12-15,18,21-24,31-33,36,39-42,44-45,47-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-
HMDB55593	TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,32,35-36,39-40,43,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,41-42,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-
HMDB55594	TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,32,35-36,39-40,43,49,52,62H,4-6,9,12-15,18,21-24,31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,52-49-
HMDB55595	TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-
HMDB55596	TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-39,45,48,60H,4-6,9,12-15,18,21-24,31-33,40-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB55597	TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-39,43,45-46,48,60H,4-6,9,12-15,18,21-24,31-33,40-42,44,47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB03404	Chitosan	COC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7N)[C@H](O)[C@H]6N)[C@H](O)[C@H]5N)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](N)[C@H](O[C@H]2[C@H](O)[C@@H](N)[C@H](O)O[C@@H]2CO)O[C@@H]1CO	InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
HMDB05998	20-Hydroxyeicosatetraenoic acid	OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
HMDB05994	Hexanal	CCCCCC=O	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
HMDB03407	Diacetyl	CC(=O)C(C)=O	InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
HMDB37622	Ethyl 2-methyl-3-pentenoate	CCOC(=O)C(C)\C=C/C	InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-
HMDB41528	Torvoside A	CC(CCC1(O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H76O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-42,46-56H,7-17H2,1-6H3
HMDB41529	Torvoside B	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C	InChI=1S/C45H76O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-42,46-55H,7-18H2,1-6H3
HMDB41524	cis-Annonacin-10-one	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(=O)CCCCCC(O)CC1=C(C)COC1=O	InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-30-27(2)26-41-35(30)40/h29,31-34,37-39H,3-26H2,1-2H3
HMDB41525	Coriandrone C	COC1=C2C(=O)OC(CO)=CC2=CC2=C1C=CO2	InChI=1S/C13H10O5/c1-16-12-9-2-3-17-10(9)5-7-4-8(6-14)18-13(15)11(7)12/h2-5,14H,6H2,1H3
HMDB41526	Isosalsolidine	COC1=CC2=C(C=C1OC)C(C)=NC=C2	InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3
HMDB41527	3-Dehydroteasterone	CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C	InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3
HMDB41520	5-De-O-methyltoddanol	COC1=C(CC(O)C(C)=C)C(O)=C2C=CC(=O)OC2=C1	InChI=1S/C15H16O5/c1-8(2)11(16)6-10-12(19-3)7-13-9(15(10)18)4-5-14(17)20-13/h4-5,7,11,16,18H,1,6H2,2-3H3
HMDB41521	3-Isomangostin	COC1=C(O)C=C2OC3=C(C(O)=C4CCC(C)(C)OC4=C3)C(=O)C2=C1CC=C(C)C	InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
HMDB41522	3-Isomangostin hydrate	COC1=C(O)C=C2OC3=C(C(O)=C4CCC(C)(C)OC4=C3)C(=O)C2=C1CCC(C)(C)O	InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(10-14(25)22(13)29-5)30-17-11-15-12(7-9-24(3,4)31-15)20(26)19(17)21(18)27/h10-11,25-26,28H,6-9H2,1-5H3
HMDB41523	cis-Goniothalamicin	CCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-14-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB48295	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H86O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,34,36-37,39,52H,4-6,9,12-14,21-23,27,31-33,35,38,40-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB48294	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,34,37,52H,4-6,9,12-14,21-23,27,31-33,35-36,38-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-
HMDB48297	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,32,35-36,39,41,44,54H,4-6,9,12-14,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-
HMDB03903	2-Hydroxyethanesulfonate	OCCS(O)(=O)=O	InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
HMDB03904	2-(a-Hydroxyethyl)thiamine diphosphate	CC(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1	InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1
HMDB03905	Imidazole-4-acetaldehyde	O=CCC1=CN=CN1	InChI=1S/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
HMDB48293	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H84O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,31-32,34-35,50H,4-6,9,12-14,21-23,28-30,33,36-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-
HMDB48292	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,32,35,50H,4-6,9,12-14,21-23,28-31,33-34,36-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,35-32-
HMDB48299	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,14-19,23-24,26-27,48H,4-6,8-9,11-13,20-22,25,28-47H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-
HMDB48298	TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H94O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,51H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-
HMDB50779	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,33,35,38,59H,4-7,9-10,12-16,18-19,22-23,27,31-32,34,36-37,39-58H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,33-30-,38-35-
HMDB50778	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,64H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB50773	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41-42,45,47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-,50-47-
HMDB50772	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41-42,45,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,45-42-
HMDB50771	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,35,40-41,43-44,58H,4-6,8,11,13-15,17,20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-
HMDB50770	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-33,35,40,43,58H,4-6,8,11,13-15,17,20,22-24,30-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,43-40-
HMDB50777	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,62H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB50776	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-
HMDB50775	TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,60H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-
HMDB50774	TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,38,41,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-37,39-40,42-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,41-38-
HMDB54649	TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,59H,4-15,18,21-24,29-30,35-36,39,42-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-
HMDB54648	TG(22:4(7Z,10Z,13Z,16Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-
HMDB54643	TG(22:4(7Z,10Z,13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,35-37,54H,4-7,9-10,12-15,18,21-23,27,31-32,34,38-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-
HMDB54642	TG(22:4(7Z,10Z,13Z,16Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,36,54H,4-7,9-10,12-15,18,21-23,27,31-32,34-35,37-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-
HMDB54641	TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,44,47,58H,4-15,18,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-
HMDB54640	TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,58H,4-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB54647	TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,44,47,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-
HMDB54646	TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-
HMDB54645	TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38-39,42,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB54644	TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB03403	Amylose	<smiles/>	InChI=1S/C14H26O11/c1-21-11-5(3-15)24-14(10(20)7(11)17)25-12-6(4-16)23-13(22-2)9(19)8(12)18/h5-20H,3-4H2,1-2H3/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14-/m1/s1
HMDB03402	Pectin	O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
HMDB53118	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-32,35,37,40-41,44,56H,4-7,9-10,12-15,22-24,29,33-34,36,38-39,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,40-37-,44-41-
HMDB53119	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-32,35-37,39-41,44,56H,4-7,9-10,12-15,22-24,29,33-34,38,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-,44-41-
HMDB09425	PE(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,41H,3-4,9-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1
HMDB09424	PE(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,41H,3-4,6,8-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1
HMDB09427	PE(20:4(8Z,11Z,14Z,17Z)/20:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,43H,3-4,6,8-10,12,14-16,18,20-22,24,26-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,25-23-/t43-/m1/s1
HMDB09426	PE(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,41H,3-4,9-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1
HMDB09421	PE(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,41H,3-4,6,8-10,12,15,18,20-21,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,19-17-,23-22-/t41-/m1/s1
HMDB09420	PE(20:4(8Z,11Z,14Z,17Z)/18:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,41H,3-4,6,8-10,12,14-16,18,20-21,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,23-22-/t41-/m1/s1
HMDB09423	PE(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,41H,3-4,6,8-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1
HMDB09422	PE(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,41H,3-4,6,8-10,12,14-16,20,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,23-22-/t41-/m1/s1
HMDB09429	PE(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,43H,3-4,6,8-10,15-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-/t43-/m1/s1
HMDB09428	PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,43H,3-4,6,8-10,12,14-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,20-18-,25-23-/t43-/m1/s1
HMDB01216	Tetrahydropteridine	C1CNC2=C(N1)C=NC=N2	InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)
HMDB01217	4a-Methylzymosterol	[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C	InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1
HMDB30900	Eremopetasitenin A2	COC1C23OC2(CC2CCC(OC(=O)\C=C\SC)C(C)C12C)OC(=O)C3C	InChI=1S/C20H28O6S/c1-11-14(24-15(21)8-9-27-5)7-6-13-10-19-20(26-19,12(2)16(22)25-19)17(23-4)18(11,13)3/h8-9,11-14,17H,6-7,10H2,1-5H3/b9-8+
HMDB30901	Eremopetasitenin B2	CS\C=C/C(=O)OC1CCC2CC34OC3(C(C)C(=O)O4)C(OC(=O)C(\C)=C\C)C2(C)C1C	InChI=1S/C24H32O7S/c1-7-13(2)19(26)29-21-22(5)14(3)17(28-18(25)10-11-32-6)9-8-16(22)12-23-24(21,31-23)15(4)20(27)30-23/h7,10-11,14-17,21H,8-9,12H2,1-6H3/b11-10-,13-7+
HMDB01212	Hydantoin-5-propionic acid	OC(=O)CCC1NC(=O)NC1=O	InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)
HMDB01213	1-Deoxy-D-xylulose 5-phosphate	CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O	InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1
HMDB30904	alpha,alpha-Dimethylanisalacetone	COC1=CC=C(\C=C\C(=O)C(C)C)C=C1	InChI=1S/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+
HMDB01211	Diadenosine tetraphosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1	InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
HMDB45520	TG(20:0/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,57H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-56H2,1-3H3/b19-16-,27-25-,32-30-,39-36-
HMDB45521	TG(20:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,44,47,57H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,32-30-,39-36-,47-44-
HMDB30908	1,3-Dimethylpyrrolo[1,2-a]pyrazine	CC1=CN2C=CC=C2C(C)=N1	InChI=1S/C9H10N2/c1-7-6-11-5-3-4-9(11)8(2)10-7/h3-6H,1-2H3
HMDB30909	2,3-Secoporrigenin	CC1C2C(CC3C4CC5OC(=O)CC5C(C)(CC(O)=O)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C27H40O6/c1-14-5-8-27(31-13-14)15(2)24-21(33-27)10-18-16-9-20-19(11-23(30)32-20)26(4,12-22(28)29)17(16)6-7-25(18,24)3/h14-21,24H,5-13H2,1-4H3,(H,28,29)
HMDB45524	TG(20:0/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-31-
HMDB45525	TG(20:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,41,55H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,41-38-
HMDB01218	Coumarin	O=C1OC2=CC=CC=C2C=C1	InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
HMDB01219	Chlordecone alcohol	OC1C2(Cl)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C(Cl)(Cl)C41Cl	InChI=1S/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H
HMDB40736	Flavidulol D	CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(OC)C2=C1C\C(C)=C/CC\C(C)=C/C2	InChI=1S/C35H56O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35(36)38-34-27-26-33(37-4)31-25-24-29(2)21-20-22-30(3)28-32(31)34/h22,24,26-27H,5-21,23,25,28H2,1-4H3/b29-24-,30-22-
HMDB40737	Aldobiouronic acid D3	OCC(O)C(O)C(OC1OC(C(O)C(O)C1O)C(O)=O)C=O.OCC1OC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O.OC1COC(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O	InChI=1S/3C11H18O11/c12-2-1-20-10(19)8(3(2)13)22-11-6(16)4(14)5(15)7(21-11)9(17)18;12-1-2-3(13)8(10(19)20-2)22-11-6(16)4(14)5(15)7(21-11)9(17)18;12-1-3(14)5(15)4(2-13)21-11-8(18)6(16)7(17)9(22-11)10(19)20/h2*2-8,10-16,19H,1H2,(H,17,18);2-9,11-12,14-18H,1H2,(H,19,20)
HMDB40734	Haematopodin	O=C1C=C2N3CCCOC3CC3=CNC(=C23)C1=O	InChI=1S/C13H12N2O3/c16-9-5-8-11-7(6-14-12(11)13(9)17)4-10-15(8)2-1-3-18-10/h5-6,10,14H,1-4H2
HMDB40735	Ethyl lactate	CCOC(=O)C(C)O	InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
HMDB40732	2,7-Oxepanedione	O=C1CCCCC(=O)O1	InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2
HMDB40733	Phenyl acetate	CC(=O)OC1=CC=CC=C1	InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
HMDB40730	Butyl salicylate	CCCCOC(=O)C1=C(O)C=CC=C1	InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3
HMDB40731	Avenalumic acid	OC(=O)\C=C\C=C\C1=CC=C(O)C=C1	InChI=1S/C11H10O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8,12H,(H,13,14)/b3-1+,4-2+
HMDB48123	TG(14:1(9Z)/20:2n6/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-19,22-23,25-26,28,52H,4-13,16,20-21,24,27,29-51H2,1-3H3/b17-14-,18-15-,22-19-,25-23-,28-26-
HMDB48122	TG(14:1(9Z)/20:2n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,57H,4-13,16,19-22,27-56H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB48121	TG(14:1(9Z)/20:2n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,55H,4-13,16,19-22,27-54H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB48120	TG(14:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,30-31,37,40,53H,4-13,16,19-22,27-29,32-36,38-39,41-52H2,1-3H3/b17-14-,18-15-,25-23-,26-24-,31-30-,40-37-
HMDB48127	TG(14:1(9Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,30-31,37,40,53H,4-13,20-22,27-29,32-36,38-39,41-52H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,31-30-,40-37-
HMDB48126	TG(14:1(9Z)/20:2n6/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,30-31,53H,4-13,20-22,27-29,32-52H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,31-30-
HMDB48125	TG(14:1(9Z)/20:2n6/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13-18,22-25,52H,4-12,19-21,26-51H2,1-3H3/b16-13-,17-14-,18-15-,24-22-,25-23-
HMDB48124	TG(14:1(9Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h13,15-18,20,22,24-25,27,32,35,51H,4-12,14,19,21,23,26,28-31,33-34,36-50H2,1-3H3/b16-13-,18-15-,20-17-,24-22-,27-25-,35-32-
HMDB49658	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,49,52,62H,4-6,9,12-15,18,22-23,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-
HMDB01530	Mannitol 1-phosphate	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O	InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
HMDB43278	TG(15:0/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-
HMDB43279	TG(15:0/20:1(11Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-
HMDB43276	TG(15:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,33,36,55H,4-6,8-9,11-15,17-18,20-24,28,32,34-35,37-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,36-33-
HMDB43277	TG(15:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,33,36,42,45,55H,4-6,8-9,11-15,17-18,20-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,36-33-,45-42-
HMDB43274	TG(15:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,53H,4-6,8-9,11-15,17-18,20-24,28,32-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,31-30-
HMDB43275	TG(15:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,37,40,53H,4-6,8-9,11-15,17-18,20-24,28,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,31-30-,40-37-
HMDB49656	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,9,12-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB43273	TG(15:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,32,35,51H,4-6,8-9,11-15,17-18,20-24,29-31,33-34,36-50H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,35-32-
HMDB43270	TG(15:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,33,36,55H,4-15,17-18,20-24,28,32,34-35,37-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,36-33-
HMDB43271	TG(15:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,33,36,42,45,55H,4-15,17-18,20-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,36-33-,45-42-
HMDB47968	TG(14:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,32,35,54H,4-14,17,20-23,27,31,33-34,36-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,35-32-
HMDB47969	TG(14:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,32,35,41,44,54H,4-14,17,20-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,35-32-,44-41-
HMDB47966	TG(14:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,36,39,52H,4-14,17,20-23,27,31-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,30-29-,39-36-
HMDB47967	TG(14:1(9Z)/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,30,54H,4-14,17,20-23,27-29,31-53H2,1-3H3/b18-15-,19-16-,26-24-,30-25-
HMDB47964	TG(14:1(9Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24-25,27,51H,4-12,14,17,19-21,23,26,28-50H2,1-3H3/b16-13-,18-15-,24-22-,27-25-
HMDB47965	TG(14:1(9Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,52H,4-14,17,20-23,27,31-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,30-29-
HMDB47962	TG(14:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,25-28,51H,4-14,16-17,20-21,23-24,29-50H2,1-3H3/b18-15-,22-19-,27-25-,28-26-
HMDB47963	TG(14:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,31,34,50H,4-14,17,20-23,28-30,32-33,35-49H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,34-31-
HMDB47960	TG(14:1(9Z)/18:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,24-26,30,54H,4-14,16-17,19-23,27-29,31-53H2,1-3H3/b18-15-,26-24-,30-25-
HMDB47961	TG(14:1(9Z)/18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,24-26,32,56H,4-14,16-17,19-23,27-31,33-55H2,1-3H3/b18-15-,26-24-,32-25-
HMDB35998	(3beta,24xi)-Cycloartane-3,24,25-triol	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3
HMDB35999	Ganoderic acid Mg	COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)C(O)CC(C(C)C(C\C=C(/C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O	InChI=1S/C35H54O8/c1-19(31(39)40)11-12-25(42-21(3)36)20(2)24-17-28(38)35(9)30-23(13-16-34(24,35)8)33(7)15-14-29(43-22(4)37)32(5,6)27(33)18-26(30)41-10/h11,20,24-29,38H,12-18H2,1-10H3,(H,39,40)/b19-11+
HMDB35992	beta-Bisabolene	CC(C)=CCCC(=C)C1CCC(C)=CC1	InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3
HMDB35993	N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine	NC(CCC(=O)NC1=CC(=O)C(=O)C=C1)C(O)=O	InChI=1S/C11H12N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7H,2,4,12H2,(H,13,16)(H,17,18)
HMDB35990	Cerebroside B	CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C(/C)CCCCCCCCC	InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+
HMDB35996	2-(Methylthio)-3H-phenoxazin-3-one	CSC1=CC2=NC3=CC=CC=C3OC2=CC1=O	InChI=1S/C13H9NO2S/c1-17-13-6-9-12(7-10(13)15)16-11-5-3-2-4-8(11)14-9/h2-7H,1H3
HMDB35997	Ferrous gluconate	[Fe++].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O	InChI=1S/2C6H12O7.Fe/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
HMDB35994	Squamoxinone C	CCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-16-21-31(38)33-23-24-34(42-33)32(39)22-17-12-14-19-29(37)18-13-10-11-15-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
HMDB35995	2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone	COC(=O)C1(CC=C(C)C)CC(CC=C(C)C)C(C)(CCC=C(C)C)C(C(=O)C(C)C)C1=O	InChI=1S/C29H46O4/c1-19(2)12-11-16-28(9)23(14-13-20(3)4)18-29(27(32)33-10,17-15-21(5)6)26(31)24(28)25(30)22(7)8/h12-13,15,22-24H,11,14,16-18H2,1-10H3
HMDB51965	TG(24:1(15Z)/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-
HMDB51964	TG(24:1(15Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-39-42-45-48-51-54-60(62)65-58-59(66-61(63)55-52-49-46-43-40-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-
HMDB51967	TG(24:1(15Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,25-26,28,34,40,43,60H,4-16,18-19,21-24,27,29-33,35-39,41-42,44-59H2,1-3H3/b20-17-,28-25-,34-26-,43-40-
HMDB51966	TG(24:1(15Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,36,61H,4-19,21-22,24,26-27,30-35,37-60H2,1-3H3/b23-20-,28-25-,36-29-
HMDB51961	TG(24:1(15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,38,43,46,60H,4-7,9-10,12-16,18-19,21-24,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-35-,46-43-
HMDB51960	TG(24:1(15Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,35,38,60H,4-7,9-10,12-16,18-19,21-24,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-35-
HMDB51963	TG(24:1(15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,42,48,51,62H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41,43-47,49-50,52-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-40-,51-48-
HMDB51962	TG(24:1(15Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,40,42,62H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-39,41,43-61H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,42-40-
HMDB51969	TG(24:1(15Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,39,62H,4-16,18-19,21-24,27,30-36,38,40-61H2,1-3H3/b20-17-,28-25-,29-26-,39-37-
HMDB51968	TG(24:1(15Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,61H,4-13,15-16,18-22,24,27,29-60H2,1-3H3/b17-14-,26-23-,28-25-
HMDB02741	Fucoxanthin	CC(=O)OC1CC(C)(C)C(=C=C\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)CC23OC2(C)CC(O)CC3(C)C)C(C)(O)C1	InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+
HMDB02746	cis-5,6-Dihydro-5,6-dihydroxy-carotene	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)C(C)(O)CCC=C(C)C	InChI=1S/C40H58O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39,41-42H,13,17,22,31H2,1-10H3/b12-11-,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,36-25+,37-26+,38-28+
HMDB41069	erythro-6,8-Triacontanediol	CCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C30H62O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-6-4-2/h29-32H,3-28H2,1-2H3
HMDB41068	erythro-6,8-Hentriacontanediol	CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C31H64O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(33)29-30(32)27-25-6-4-2/h30-33H,3-29H2,1-2H3
HMDB41061	Nigellidine	CC1=CC2=C(C(C3=CC=C(O)C=C3)=[N+]3CCCCN23)C([O-])=C1	InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)
HMDB41060	Dehydro-4-methoxycyclobrassinin	COC1=CC=CC2=C1C1=CN=C(SC)SC1=N2	InChI=1S/C12H10N2OS2/c1-15-9-5-3-4-8-10(9)7-6-13-12(16-2)17-11(7)14-8/h3-6H,1-2H3
HMDB41063	1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine	COC1=C(OC)C2=C(C=C1)C1=C(N=C2C)C2=C(C=C1)C=C1OCOC1=C2	InChI=1S/C21H17NO4/c1-11-19-13(6-7-16(23-2)21(19)24-3)14-5-4-12-8-17-18(26-10-25-17)9-15(12)20(14)22-11/h4-9H,10H2,1-3H3
HMDB41062	10,11-Epidioxycalamene	CC1=CC=C2C(=C1)C1CCC2(C)OOC1(C)C	InChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3
HMDB41065	Dimethyl tetrasulfide	CSSSSC	InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3
HMDB41064	2-Methoxycanthin-6-one	COC1=CC2=C3N(C4=C2C=CC=C4)C(=O)C=CC3=N1	InChI=1S/C15H10N2O2/c1-19-13-8-10-9-4-2-3-5-12(9)17-14(18)7-6-11(16-13)15(10)17/h2-8H,1H3
HMDB41067	erythro-6,8-Nonacosanediol	CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC	InChI=1S/C29H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-29(31)27-28(30)25-23-6-4-2/h28-31H,3-27H2,1-2H3
HMDB41066	S-Propyl thiosulfate	CCCSS(O)(=O)=O	InChI=1S/C3H8O3S2/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H,4,5,6)
HMDB39196	Stigmasta-4,6-dien-3-one	CCC(CCC(C)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,18-21,24-27H,7-9,12-17H2,1-6H3
HMDB39197	Heterophylliin D	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC5C5OC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12	InChI=1S/C82H54O52/c83-24-1-14(2-25(84)45(24)93)71(112)133-81-69-67(129-76(117)18-6-29(88)48(96)57(105)39(18)41-20(78(119)131-69)8-31(90)50(98)59(41)107)65-35(125-81)13-123-73(114)22-11-34(54(102)62(110)44(22)43-17(75(116)127-65)5-28(87)52(100)61(43)109)124-64-23(10-33(92)53(101)63(64)111)80(121)134-82-70-68(130-77(118)19-7-30(89)49(97)58(106)40(19)42-21(79(120)132-70)9-32(91)51(99)60(42)108)66-36(126-82)12-122-72(113)15-3-26(85)46(94)55(103)37(15)38-16(74(115)128-66)4-27(86)47(95)56(38)104/h1-11,35-36,65-70,81-111H,12-13H2
HMDB39194	6-Cinnamoyl-1,2-digalloylglucose	OC1C(COC(=O)\C=C\C2=CC=CC=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)43-26-25(38)24(37)20(12-41-21(34)7-6-13-4-2-1-3-5-13)42-29(26)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+
HMDB39195	6-Cinnamoyl-1-galloylglucose	OC1C(COC(=O)\C=C/C2=CC=CC=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C22H22O11/c23-13-8-12(9-14(24)17(13)26)21(30)33-22-20(29)19(28)18(27)15(32-22)10-31-16(25)7-6-11-4-2-1-3-5-11/h1-9,15,18-20,22-24,26-29H,10H2/b7-6-
HMDB34119	Sesamolin	C1OC2=CC=C(OC3OCC4C3COC4C3=CC=C4OCOC4=C3)C=C2O1	InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2
HMDB34118	(Z)-Resveratrol	OC1=CC=C(\C=C/C2=CC(O)=CC(O)=C2)C=C1	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-
HMDB39190	2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C/C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3-
HMDB39191	1,2,4,6-Tetragalloyl-beta-D-glucopyranose	OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2
HMDB34115	6alpha-Hydroxymedicarpin	COC1=CC=C2C(OC3C4=CC=C(O)C=C4OCC23O)=C1	InChI=1S/C16H14O5/c1-19-10-3-5-12-14(7-10)21-15-11-4-2-9(17)6-13(11)20-8-16(12,15)18/h2-7,15,17-18H,8H2,1H3
HMDB34114	6alpha-Hydroxyisomedicarpin	COC1=CC=C2C3OC4=CC(O)=CC=C4C3(O)COC2=C1	InChI=1S/C16H14O5/c1-19-10-3-4-11-13(7-10)20-8-16(18)12-5-2-9(17)6-14(12)21-15(11)16/h2-7,15,17-18H,8H2,1H3
HMDB34117	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; (E)-form, 4'-Me ether, 3-O-b-D-glucopyranoside	COC1=CC=C(\C=C/C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C=C1	InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2-
HMDB34116	Homopisatin	COC1=CC=C2C(OC3C4=CC=C(OC)C=C4OCC23O)=C1	InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3
HMDB34111	Glyceofuran	CC(C)(O)C1=CC2=CC3=C(OCC4(O)C3OC3=CC(O)=CC=C43)C=C2O1	InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3
HMDB34110	Murrayacine	CC1(C)OC2=C(C=C1)C1=C(C=C2C=O)C2=C(N1)C=CC=C2	InChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3
HMDB34113	3,4-Hexahydroxydiphenoylarabinose	OC1OCC2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC2C1O	InChI=1S/C19H16O13/c20-6-1-4-9(13(24)11(6)22)10-5(2-7(21)12(23)14(10)25)18(28)32-16-8(31-17(4)27)3-30-19(29)15(16)26/h1-2,8,15-16,19-26,29H,3H2
HMDB34112	9-O-Methylglyceofuran	COC1=CC=C2C(OC3C4=C(OCC23O)C=C2OC(=CC2=C4)C(C)(C)O)=C1	InChI=1S/C21H20O6/c1-20(2,22)18-7-11-6-13-16(9-15(11)26-18)25-10-21(23)14-5-4-12(24-3)8-17(14)27-19(13)21/h4-9,19,22-23H,10H2,1-3H3
HMDB44721	TG(18:0/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H106O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB44720	TG(18:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,42,45,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-,45-42-
HMDB44723	TG(18:0/16:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB44722	TG(18:0/16:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB38829	Theasinensin C	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1C1OC2=CC(O)=CC(O)=C2CC1O	InChI=1S/C30H26O14/c31-9-1-15(33)11-5-19(37)29(43-21(11)3-9)13-7-17(35)25(39)27(41)23(13)24-14(8-18(36)26(40)28(24)42)30-20(38)6-12-16(34)2-10(32)4-22(12)44-30/h1-4,7-8,19-20,29-42H,5-6H2
HMDB38828	Pyrafoline D	CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2)C2=CC(C)=C(O)C=C2N1	InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-17-21(26-23)8-7-16-18-12-15(3)20(25)13-19(18)24-22(16)17/h6-9,11-13,24-25H,5,10H2,1-4H3
HMDB44727	TG(18:0/16:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB44726	TG(18:0/16:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-
HMDB38825	3',4',5,7,8-Pentahydroxyflavone; 3',8-Di-Me ether, 7-O-b-D-glucopyranoside	COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C(OC)=C(OC1OC(CO)C(O)C(O)C1O)C=C2O	InChI=1S/C23H24O12/c1-31-14-5-9(3-4-10(14)25)13-6-11(26)17-12(27)7-15(21(32-2)22(17)33-13)34-23-20(30)19(29)18(28)16(8-24)35-23/h3-7,16,18-20,23-25,27-30H,8H2,1-2H3
HMDB38824	Hypoletin 8-gentiobioside	OCC1OC(OCC2OC(OC3=C(O)C=C(O)C4=C3OC(=CC4=O)C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)40-7-16-19(35)21(37)23(39)27(43-16)44-24-13(33)4-11(31)17-12(32)5-14(41-25(17)24)8-1-2-9(29)10(30)3-8/h1-5,15-16,18-23,26-31,33-39H,6-7H2
HMDB38827	Murrayazolinol	CC1=CC2=C3N(C4=C2C=CC=C4)C(C)(C)C2CC(O)C4(C)CC2C3=C1O4	InChI=1S/C23H25NO2/c1-12-9-14-13-7-5-6-8-17(13)24-20(14)19-15-11-23(4,26-21(12)19)18(25)10-16(15)22(24,2)3/h5-9,15-16,18,25H,10-11H2,1-4H3
HMDB38826	Alatanin 2	COC1=CC(\C=C\C(=O)OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(OC)=C(O)C=C3)C(O)C2O)=CC(OC)=C1O	InChI=1S/C39H42O20/c1-51-23-10-17(5-6-20(23)42)36-26(13-19-21(43)11-18(41)12-22(19)55-36)56-39-35(50)33(48)37(28(58-39)15-54-38-34(49)32(47)31(46)27(14-40)57-38)59-29(44)7-4-16-8-24(52-2)30(45)25(9-16)53-3/h4-13,27-28,31-35,37-40,46-50H,14-15H2,1-3H3,(H3-,41,42,43,44,45)/p+1
HMDB38821	Calycosin 7-galactoside	COC1=CC=C(C=C1O)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C2C1=O	InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3
HMDB38820	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-Malonyl	COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C25H24O15/c1-36-13-4-9(2-3-11(13)27)23-24(20(33)18-12(28)5-10(26)6-14(18)38-23)40-25-22(35)21(34)19(32)15(39-25)8-37-17(31)7-16(29)30/h2-6,15,19,21-22,25-28,32,34-35H,7-8H2,1H3,(H,29,30)
HMDB38823	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-a-L-rhamnopyranoside], 7-O-[a-L-rhamnopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C39H50O26/c1-9-20(45)26(51)30(55)36(57-9)64-35-29(54)24(49)18(8-41)62-39(35)59-12-5-13(42)19-16(6-12)60-32(11-3-14(43)22(47)15(44)4-11)33(25(19)50)63-38-34(28(53)21(46)10(2)58-38)65-37-31(56)27(52)23(48)17(7-40)61-37/h3-6,9-10,17-18,20-21,23-24,26-31,34-49,51-56H,7-8H2,1-2H3
HMDB38822	Malvidin 3-(6-malonylglucoside) 5-glucoside	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)CC(O)=O)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C32H36O20/c1-45-16-3-11(4-17(46-2)23(16)38)30-18(50-32-29(44)27(42)25(40)20(52-32)10-47-22(37)8-21(35)36)7-13-14(48-30)5-12(34)6-15(13)49-31-28(43)26(41)24(39)19(9-33)51-31/h3-7,19-20,24-29,31-33,39-44H,8-10H2,1-2H3,(H2-,34,35,36,38)/p+1
HMDB33769	Rockogenin	CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CC(O)C23C)OC11CCC(C)CO1	InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3
HMDB33768	Fonsecinone B	COC1=CC2=C(C3=C(C(=O)CC(C)(O)O3)C(O)=C2C(OC)=C1)C1=C(OC)C2=C(O)C3=C(OC(C)=CC3=O)C=C2C=C1OC	InChI=1S/C32H28O11/c1-13-7-17(33)25-21(42-13)9-14-8-19(39-4)27(30(41-6)22(14)28(25)35)24-16-10-15(38-3)11-20(40-5)23(16)29(36)26-18(34)12-32(2,37)43-31(24)26/h7-11,35-37H,12H2,1-6H3
HMDB33763	2-(Methylamino)benzoic acid, 9CI; Et ester	CCOC(=O)C1=CC=CC=C1NC	InChI=1S/C10H13NO2/c1-3-13-10(12)8-6-4-5-7-9(8)11-2/h4-7,11H,3H2,1-2H3
HMDB33762	Ginkgetin	COC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(OC)C(=C1)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1	InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3
HMDB33761	4-Methoxybenzyl acetate	COC1=CC=C(COC(C)=O)C=C1	InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
HMDB33760	Santal	COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC(O)=C(O)C=C1	InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-10(16(15)20)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3
HMDB33766	2-Methoxybenzaldehyde	COC1=CC=CC=C1C=O	InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
HMDB33765	2-Decene-4,6,8-triynoic acid; (Z)-form, Me ester	COC(=O)\C=C\C#CC#CC#CC	InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9+
HMDB33764	Erucin	CSCCCCN=C=S	InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
HMDB46381	TG(22:0/22:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
HMDB46380	TG(22:0/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3
HMDB46383	TG(22:0/22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-
HMDB46382	TG(22:0/22:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h68H,4-67H2,1-3H3
HMDB46385	TG(22:0/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-
HMDB46384	TG(22:0/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-
HMDB46387	TG(22:0/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,64H,4-26,28-29,31-63H2,1-3H3/b30-27-
HMDB46386	TG(22:0/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-
HMDB46389	TG(22:0/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-
HMDB46388	TG(22:0/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,38,41,47,50,64H,4-26,28-29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b30-27-,41-38-,50-47-
HMDB31691	cis-3-Hexenyl pentanoate	CCCCC(=O)OCC\C=C/CC	InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
HMDB31690	cis-3-Hexenyl b-primeveroside	CC\C=C/CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-
HMDB31693	3-Hydroxybutanoic acid, 9CI; (S)-form, Et ester, O-b-D-glucopyranoside	CCOC(=O)CC(C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C12H22O8/c1-3-18-8(14)4-6(2)19-12-11(17)10(16)9(15)7(5-13)20-12/h6-7,9-13,15-17H,3-5H2,1-2H3
HMDB31692	cis-3-Hexenyl trans-4-hexenoate	CC\C=C/CCOC(=O)CC\C=C\C	InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h4-7H,3,8-11H2,1-2H3/b6-4+,7-5-
HMDB31695	xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside	OCC1OC(OC(CCC2=CC=CC=C2)CC(O)=O)C(O)C(O)C1O	InChI=1S/C17H24O8/c18-9-12-14(21)15(22)16(23)17(25-12)24-11(8-13(19)20)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-18,21-23H,6-9H2,(H,19,20)
HMDB31694	3-Hydroxybutanoic acid, 9CI; (S)-form, Butyl ester, O-b-D-glucopyranoside	CCCCOC(=O)CC(C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H26O8/c1-3-4-5-20-10(16)6-8(2)21-14-13(19)12(18)11(17)9(7-15)22-14/h8-9,11-15,17-19H,3-7H2,1-2H3
HMDB31697	Lucuminamide	NC(=O)C(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1=CC=CC=C1	InChI=1S/C19H27NO11/c20-17(27)16(8-4-2-1-3-5-8)31-19-15(26)13(24)12(23)10(30-19)7-29-18-14(25)11(22)9(21)6-28-18/h1-5,9-16,18-19,21-26H,6-7H2,(H2,20,27)
HMDB31696	Dibutyl malate	CCCCOC(=O)CC(O)C(=O)OCCCC	InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3
HMDB31699	S-(3-Methyl-2-butenyl) 2-methylpropanethioate	CC(C)C(=O)SCC=C(C)C	InChI=1S/C9H16OS/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3
HMDB31698	S-(3-Methyl-2-butenyl) ethanethioate	CC(C)=CCSC(C)=O	InChI=1S/C7H12OS/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
HMDB42608	TG(14:0/20:3n6/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,16-17,19,23-24,26-27,48H,4-13,15,18,20-22,25,28-47H2,1-3H3/b17-14-,19-16-,24-23-,27-26-
HMDB42609	TG(14:0/20:3n6/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,50H,4-15,17-18,21-22,26,28,30-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-
HMDB42600	TG(14:0/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(56)59-52(51-58-53(55)47-44-41-38-35-32-21-18-15-12-9-6-3)50-57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,16,22,24,52H,4-12,14-15,17-21,23,25-51H2,1-3H3/b16-13-,24-22-
HMDB42601	TG(14:0/20:3n6/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h16,19,23-24,26-27,48H,4-15,17-18,20-22,25,28-47H2,1-3H3/b19-16-,24-23-,27-26-
HMDB42602	TG(14:0/20:3n6/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,49H,4-15,17-18,20-23,26,29-48H2,1-3H3/b19-16-,25-24-,28-27-
HMDB42603	TG(14:0/20:3n6/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,50H,4-15,17-18,20-23,26,28,30-49H2,1-3H3/b19-16-,25-24-,29-27-
HMDB42604	TG(14:0/20:3n6/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,52H,4-15,17-18,20-23,25,27-28,30,32-51H2,1-3H3/b19-16-,26-24-,31-29-
HMDB42605	TG(14:0/20:3n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,31,33,54H,4-16,18-19,21-24,26,28-30,32,34-53H2,1-3H3/b20-17-,27-25-,33-31-
HMDB42606	TG(14:0/20:3n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,33,35,56H,4-16,18-19,21-24,26,28-32,34,36-55H2,1-3H3/b20-17-,27-25-,35-33-
HMDB42607	TG(14:0/20:3n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,35,37,58H,4-16,18-19,21-24,26,28-34,36,38-57H2,1-3H3/b20-17-,27-25-,37-35-
HMDB53117	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-15,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB45890	TG(20:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,32,34-35,39,42,61H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31,33,36-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,35-30-,42-39-
HMDB45891	TG(20:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,32,34-35,39,42,48,51,61H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31,33,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,35-30-,42-39-,51-48-
HMDB45892	TG(20:0/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20,23,29,32,58H,4-19,21-22,24-28,30-31,33-57H2,1-3H3/b23-20-,32-29-
HMDB45893	TG(20:0/18:3(6Z,9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,40,43,58H,4-17,19-20,22-26,28-31,33-39,41-42,44-57H2,1-3H3/b21-18-,32-27-,43-40-
HMDB45894	TG(20:0/18:3(6Z,9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,42,45,60H,4-17,19-20,22-26,28-33,35-41,43-44,46-59H2,1-3H3/b21-18-,34-27-,45-42-
HMDB45895	TG(20:0/18:3(6Z,9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,44,47,62H,4-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b21-18-,36-27-,47-44-
HMDB45896	TG(20:0/18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,34,37,52H,4-14,16,19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b18-15-,20-17-,28-25-,37-34-
HMDB45897	TG(20:0/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,36,39,54H,4-16,18-19,22-23,25,27-28,30-35,37-38,40-53H2,1-3H3/b20-17-,24-21-,29-26-,39-36-
HMDB45898	TG(20:0/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,31,38,41,56H,4-17,19,22,24-26,28-30,32-37,39-40,42-55H2,1-3H3/b21-18-,23-20-,31-27-,41-38-
HMDB45899	TG(20:0/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,26-27,30-31,38,41,56H,4-17,19-20,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b21-18-,30-26-,31-27-,41-38-
HMDB32418	2-(4-Methyl-5-thiazolyl)ethyl butanoate	CCCC(=O)OCCC1=C(C)N=CS1	InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3
HMDB32419	2-(4-Methyl-5-thiazolyl)ethyl decanoate	CCCCCCCCCC(=O)OCCC1=C(C)N=CS1	InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3
HMDB39448	Licoricesaponin J2	CC12CCC(C)(CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O	InChI=1S/C42H64O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7,20-31,34-35,43-48H,8-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)
HMDB39449	Rheinanthrone	OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C2)C=CC=C1O	InChI=1S/C15H10O5/c16-10-3-1-2-7-4-8-5-9(15(19)20)6-11(17)13(8)14(18)12(7)10/h1-3,5-6,16-17H,4H2,(H,19,20)
HMDB32412	Methyl beta-naphthyl ketone	CC(=O)C1=CC=C2C=CC=CC2=C1	InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
HMDB32413	Methyl 2-octenoate	CCCCCC=CC(=O)OC	InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
HMDB32410	Methyl 3-(methylthio)butanoate	COC(=O)CC(C)SC	InChI=1S/C6H12O2S/c1-5(9-3)4-6(7)8-2/h5H,4H2,1-3H3
HMDB32411	2-Methyl-1-methylthio-2-butene	CSC\C(C)=C\C	InChI=1S/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3/b6-4+
HMDB32416	2-Methylpiperidine	CC1CCCCN1	InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3
HMDB32417	3-(L-Menthoxy)-2-methylpropane-1,2-diol	CC(C)C1CCC(C)CC1OCC(C)(O)CO	InChI=1S/C14H28O3/c1-10(2)12-6-5-11(3)7-13(12)17-9-14(4,16)8-15/h10-13,15-16H,5-9H2,1-4H3
HMDB32414	2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers)	CC1=NC=CN=C1SCC1=CC=CO1	InChI=1S/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3
HMDB32415	2-Methyl-4-phenylbutyraldehyde	CC(CCC1=CC=CC=C1)C=O	InChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
HMDB38319	Decarbamoylsaxitoxin	OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12	InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)
HMDB38318	(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one	OC1OC2=CC=CC=C2NC1=O	InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)
HMDB38317	Pisumsaponin II	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)C=O)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,20-21,23-38,40-42,49,51-58H,10-19H2,1-8H3,(H,59,60)
HMDB38316	Pisumsaponin I	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC(=O)CC(O)=O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C51H80O21/c1-22-32(57)34(59)38(63)43(66-22)71-40-35(60)33(58)25(20-52)67-44(40)72-41-37(62)36(61)39(42(64)65)70-45(41)69-28-12-13-48(5)26(49(28,6)21-53)11-14-51(8)27(48)10-9-23-24-18-46(2,3)19-29(68-31(56)17-30(54)55)47(24,4)15-16-50(23,51)7/h9,22,24-29,32-41,43-45,52-53,57-63H,10-21H2,1-8H3,(H,54,55)(H,64,65)
HMDB38315	3,19-Dihydroxy-12-ursen-28-oic acid; (3b,19a)-form, 3-O-a-L-Arabinopyranoside, 28-O-[3,4,5-trihydroxybenzoyl-(-&gt;6)-b-D-glucopyranosyl] ester	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1(C)O)C(=O)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C48H70O17/c1-22-10-15-48(42(59)65-41-37(57)35(55)34(54)28(63-41)21-61-39(58)23-18-25(49)32(52)26(50)19-23)17-16-45(5)24(38(48)47(22,7)60)8-9-30-44(4)13-12-31(43(2,3)29(44)11-14-46(30,45)6)64-40-36(56)33(53)27(51)20-62-40/h8,18-19,22,27-31,33-38,40-41,49-57,60H,9-17,20-21H2,1-7H3
HMDB38314	Gibberellin GA126	CC12CC=CC3(OC1=O)C1CC(O)C4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)11(20)6-10(17)19-5-3-4-16(2,15(23)25-19)13(19)12(17)14(21)22/h3,5,10-13,20,24H,1,4,6-8H2,2H3,(H,21,22)
HMDB38313	Trigoneoside XIIIa	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C57H94O28/c1-21(20-75-50-42(69)40(67)36(63)30(16-58)78-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)77-54-49(84-51-43(70)39(66)35(62)23(3)76-51)45(72)47(33(19-61)81-54)82-53-46(73)48(38(65)32(18-60)80-53)83-52-44(71)41(68)37(64)31(17-59)79-52/h6,21-23,25-54,58-74H,7-20H2,1-5H3
HMDB38312	Balanitoside	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H84O23/c1-20(19-66-45-40(62)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-47-42(64)39(61)43(31(18-54)71-47)72-48-44(38(60)35(57)30(17-53)70-48)73-46-41(63)36(58)33(55)22(3)67-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3
HMDB38311	xi-gamma-Undecalactone	CCCCCCCC1CCC(=O)O1	InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
HMDB38310	xi-Tetrahydro-6-propyl-2H-pyran-2-one	CCCC1CCCC(=O)O1	InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
HMDB30120	(S)-Angelicain	CC(C)(O)C1CC2=C(O)C3=C(OC(CO)=CC3=O)C=C2O1	InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3
HMDB30121	Kuwanon L	CC1=CC(C(C(C1)C1=CC=C(O)C=C1O)C(=O)C1=CC(O)=CC(O)=C1)C1=C(O)C(=CC=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C35H30O11/c1-15-6-23(21-3-2-17(36)11-26(21)41)31(34(44)16-8-18(37)10-19(38)9-16)24(7-15)32-25(40)5-4-22(35(32)45)29-14-28(43)33-27(42)12-20(39)13-30(33)46-29/h2-5,7-13,23-24,29,31,36-42,45H,6,14H2,1H3
HMDB30122	Kuwanon K	CC(C)=CCC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C(C2C=C(C)CC(C2C(=O)C2=CC(O)=CC(O)=C2)C2=CC=C(O)C=C2O)=C1O	InChI=1S/C40H36O11/c1-18(2)4-6-26-39(50)36-32(47)16-24(44)17-33(36)51-40(26)27-8-9-30(45)35(38(27)49)29-11-19(3)10-28(25-7-5-21(41)15-31(25)46)34(29)37(48)20-12-22(42)14-23(43)13-20/h4-5,7-9,11-17,28-29,34,41-47,49H,6,10H2,1-3H3
HMDB30123	(3beta,5alpha,24S)-Ergost-8(14)-en-3-ol	CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3
HMDB30124	Prenol	CC(C)=CCO	InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
HMDB30125	24-Methylenepollinasterol	CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4CC(O)CCC44CC34CCC12C	InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h19,21-25,30H,3,7-18H2,1-2,4-6H3
HMDB30126	3-Methyl-3-buten-1-ol	CC(=C)CCO	InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
HMDB30127	Withaperuvin E	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC44C(=O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H36O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,20-21,32-34H,8-13H2,1-5H3
HMDB30128	Physalin B	CC12OC(=O)C3(O)CCC4C(CC=C5CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3
HMDB30129	Plastoquinone 8	CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=O)C(C)=C(C)C1=O	InChI=1S/C48H72O2/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-46-35-47(49)44(10)45(11)48(46)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23-,39-25+,40-27+,41-29+,42-31+,43-33+
HMDB53113	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-34,36-38,41,43,46,58H,4-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB14284	Xanthophyll	C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
HMDB56556	CL(16:0/16:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,27-29,31-32,69-71,76H,5-24,26,30,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,31-27-,32-28-/t69?,70-,71-/m1/s1
HMDB14288	N-Acetyl-D-glucosamine	[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO	InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1
HMDB08291	PC(20:0/P-16:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-
HMDB08290	PC(20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20,22,50H,6-19,21,23-49H2,1-5H3/b22-20-/t50-/m1/s1
HMDB08293	PC(20:0/P-18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19,38,41,45H,6-16,18,20-37,39-40,42-44H2,1-5H3/b19-17-,41-38-
HMDB08292	PC(20:0/P-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h38,41,45H,6-37,39-40,42-44H2,1-5H3/b41-38-
HMDB08295	PC(20:1(11Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h19-20,40H,6-18,21-39H2,1-5H3/b20-19-/t40-/m1/s1
HMDB08294	PC(20:0/P-18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,38,41,45H,6-20,22,24-37,39-40,42-44H2,1-5H3/b23-21-,41-38-
HMDB08297	PC(20:1(11Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1
HMDB08296	PC(20:1(11Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13,15,19-20,40H,6-12,14,16-18,21-39H2,1-5H3/b15-13-,20-19-/t40-/m1/s1
HMDB08299	PC(20:1(11Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h17,19-21,42H,6-16,18,22-41H2,1-5H3/b19-17-,21-20-/t42-/m1/s1
HMDB08298	PC(20:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h20-21,42H,6-19,22-41H2,1-5H3/b21-20-/t42-/m1/s1
HMDB56551	CL(16:0/16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,40,48,52,71-73,78H,5-20,22-24,26,29-30,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,31-27-,32-28-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1
HMDB56550	CL(16:0/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C76H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,27-29,31-32,34-35,70-72,77H,5-24,26,30,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,31-27-,32-28-,35-34-/t70?,71-,72-/m1/s1
HMDB47303	TG(24:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,38,41-42,45,47,50,62H,4-17,19-20,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b21-18-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB13880	S-6-Hydroxywarfarin	[H][C@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=C(O)C=C2C1=O	InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21,23H,9H2,1H3/t14-/m0/s1
HMDB13881	S-4'-Hydroxywarfarin	[H][C@](CC(C)=O)(C1=CC=C(O)C=C1)C1=C(O)OC2=CC=CC=C2C1=O	InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21,23H,10H2,1H3/t15-/m0/s1
HMDB13882	R-4'-Hydroxywarfarin	[H][C@@](CC(C)=O)(C1=CC=C(O)C=C1)C1=C(O)OC2=CC=CC=C2C1=O	InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21,23H,10H2,1H3/t15-/m1/s1
HMDB13883	R-6-Hydroxywarfarin	[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=C(O)C=C2C1=O	InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21,23H,9H2,1H3/t14-/m1/s1
HMDB13884	R-10-Hydroxywarfarin	[H][C@@](C(O)C(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O	InChI=1S/C19H16O5/c1-11(20)17(21)15(12-7-3-2-4-8-12)16-18(22)13-9-5-6-10-14(13)24-19(16)23/h2-10,15,17,21,23H,1H3/t15-,17?/m1/s1
HMDB13885	R-8-Hydroxywarfarin	[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=C(O)C=CC=C2C1=O	InChI=1S/C19H16O5/c1-11(20)10-14(12-6-3-2-4-7-12)16-17(22)13-8-5-9-15(21)18(13)24-19(16)23/h2-9,14,21,23H,10H2,1H3/t14-/m1/s1
HMDB13886	R-7-Hydroxywarfarin	[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC(O)=CC=C2C1=O	InChI=1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21,23H,9H2,1H3/t15-/m1/s1
HMDB36402	alpha-Bergamotenol	C\C(CO)=C\CCC1(C)C2CC1C(C)=CC2	InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-
HMDB13888	E-10-Hydroxyamitriptyline	CN(C)CC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12	InChI=1S/C20H23NO/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19/h3-6,8-12,20,22H,7,13-14H2,1-2H3/b17-12+
HMDB13889	E-10-Hydroxynortriptyline	CNCC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12	InChI=1S/C19H21NO/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,19-21H,6,12-13H2,1H3/b16-11+
HMDB46813	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-16,18-19,21-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b20-17-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB46812	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,34,37,43,46,52,55,64H,4-16,18-19,21-25,28,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB36409	1,2-Dihydrodehydroguaiaretic acid	COC1C=C(C=CC1O)C1=C(C)C(C)=CC2=C1C=C(O)C(OC)=C2	InChI=1S/C20H22O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-10,16,18,21-22H,1-4H3
HMDB36408	Franguloside	CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C2=C(C=C(C)C=C2O)C3=O)C(O)C(O)C1O	InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3
HMDB46817	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,33,35-36,41-42,44-45,50,53,62H,4-16,19,22-25,28,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB46816	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,34,36-37,42,45,51,54,63H,4-16,18-19,22-23,25,27-28,31-33,35,38-41,43-44,46-50,52-53,55-62H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,37-30-,45-42-,54-51-
HMDB47301	TG(24:0/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,44,47,53,56,68H,4-24,26,29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b28-25-,30-27-,47-44-,56-53-
HMDB47306	TG(24:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-16,18-19,21-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB47307	TG(24:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,42,45,51,54,66H,4-16,18-19,21-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b20-17-,29-26-,30-27-,45-42-,54-51-
HMDB57219	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,37-39,42-44,48,56,60,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB47304	TG(24:0/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,39,42,48,51,63H,4-14,16-17,19-23,25,28,30-38,40-41,43-47,49-50,52-62H2,1-3H3/b18-15-,27-24-,29-26-,42-39-,51-48-
HMDB01204	trans-3-Hydroxycotinine glucuronide	[H][C@@]1(O[C@@H]2CC(N(C)C2=O)C2=CC=CN=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8?,9-,10+,11+,12-,13+,16-/m1/s1
HMDB47305	TG(24:0/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,38,40-41,43,49,52,64H,4-16,18-19,21-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b20-17-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB56552	CL(16:0/16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,26,29-30,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB01206	Acetyl-CoA	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
HMDB30915	Alliospiroside D	CC1C2C(CC3C4CC=C5CC(O)CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC11CC(O)C(C)CO1	InChI=1S/C39H62O14/c1-16-15-48-39(13-24(16)42)17(2)28-25(53-39)12-23-21-7-6-19-10-20(41)11-27(38(19,5)22(21)8-9-37(23,28)4)51-36-34(32(46)30(44)26(14-40)50-36)52-35-33(47)31(45)29(43)18(3)49-35/h6,16-18,20-36,40-47H,7-15H2,1-5H3
HMDB53654	TG(20:3n6/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,37,40,54H,4-15,18,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-
HMDB47308	TG(24:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,38,42-43,45-46,51,54,66H,4-16,18-19,21-25,28,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b20-17-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB30914	Alliospiroside C	CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC11CC(O)C(C)CO1	InChI=1S/C38H60O13/c1-16-14-47-38(13-24(16)40)17(2)28-26(51-38)12-23-21-7-6-19-10-20(39)11-27(37(19,5)22(21)8-9-36(23,28)4)49-35-33(30(43)25(41)15-46-35)50-34-32(45)31(44)29(42)18(3)48-34/h6,16-18,20-35,39-45H,7-15H2,1-5H3
HMDB58566	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27-32,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB58567	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-35,37-38,41,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,36,39-40,42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB58564	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-44,48,56,60,79-81,86H,5-20,22-24,28-29,32,34-35,40,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB31348	Epiacorone	CC(C)C1C(=O)CC(C)C11CCC(C)C(=O)C1	InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3
HMDB34928	(-)-4(10)-Thujene	CC(C)[C@]12C[C@H]1C(=C)CC2	InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
HMDB13773	D-Leucine	CC(C)C[C@H](N)C(O)=O	InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
HMDB58560	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,49-50,54,57,61,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-48,51-53,55-56,58-60,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,49-45-,54-50-,61-57-/t81?,82-,83-/m1/s1
HMDB58561	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,49-50,54,57,61-62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB34924	Neoreticulatacin A	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3
HMDB34925	Camellidin II	CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(OC5OC(C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O	InChI=1S/C53H84O24/c1-48(2)14-15-53(69)22(16-48)21-8-9-27-50(5)12-11-29(49(3,4)26(50)10-13-51(27,6)52(21,7)17-28(53)57)73-47-41(76-45-37(65)34(62)31(59)24(19-55)71-45)38(66)39(42(77-47)43(67)68)74-46-40(35(63)32(60)25(20-56)72-46)75-44-36(64)33(61)30(58)23(18-54)70-44/h8,22-27,29-42,44-47,54-56,58-66,69H,9-20H2,1-7H3,(H,67,68)
HMDB34926	Camellidin I	CC(=O)OC12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O	InChI=1S/C55H86O25/c1-22(59)80-55-16-15-50(2,3)17-24(55)23-9-10-29-52(6)13-12-31(51(4,5)28(52)11-14-53(29,7)54(23,8)18-30(55)60)75-49-43(78-47-39(68)36(65)33(62)26(20-57)73-47)40(69)41(44(79-49)45(70)71)76-48-42(37(66)34(63)27(21-58)74-48)77-46-38(67)35(64)32(61)25(19-56)72-46/h9,24-29,31-44,46-49,56-58,61-69H,10-21H2,1-8H3,(H,70,71)
HMDB34927	Cucurbitacin B	CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C	InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+
HMDB34920	Taraxerol	CC1(C)CCC2(C)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1	InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3
HMDB34921	Teresantalal	CC12C3CC(CC13)C2(C)C=O	InChI=1S/C10H14O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h5-8H,3-4H2,1-2H3
HMDB34922	alpha-Teresantalic acid	CC12C3CC(CC13)C2(C)C(O)=O	InChI=1S/C10H14O2/c1-9(8(11)12)5-3-6-7(4-5)10(6,9)2/h5-7H,3-4H2,1-2H3,(H,11,12)
HMDB34923	Lettowianthine	O=C1N2CCC3=CC4=C(OCO4)C4=C3C2=C(C1=O)C1=C4C=CC=C1	InChI=1S/C19H11NO4/c21-17-15-11-4-2-1-3-10(11)14-13-9(7-12-18(14)24-8-23-12)5-6-20(16(13)15)19(17)22/h1-4,7H,5-6,8H2
HMDB57211	CL(18:0/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34,36-38,40-41,76-78,83H,5-24,26-28,30-33,35,39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,38-34-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57210	CL(18:0/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,34,37-38,41,76-78,83H,5-24,26-27,30-31,33,35-36,39-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,38-34-,41-37-/t76?,77-,78-/m1/s1
HMDB37424	Citrusinol	CC1(C)OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2C=C1)C1=CC=C(O)C=C1	InChI=1S/C20H16O6/c1-20(2)8-7-12-14(26-20)9-13(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3
HMDB37425	Cycloartocarpesin	CC1(C)OC2=C(C=C1)C(O)=C1C(=O)C=C(OC1=C2)C1=C(O)C=C(O)C=C1	InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-9,21-22,24H,1-2H3
HMDB57215	CL(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB37426	3,4',5,7-Tetrahydroxyflavone; 3-O-b-D-Galactopyranoside, 7-O-a-L-rhamnopyranoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C(=O)C2=C(O[H])C([H])=C(OC3([H])OC([H])(C([H])([H])[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([H])=C2O1	InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3
HMDB00440	3-Hydroxyphenylacetic acid	OC(=O)CC1=CC=CC(O)=C1	InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
HMDB37427	Kaempferol 3-sophoroside 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3
HMDB53656	TG(20:3n6/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,56H,4-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB37420	Maysin 3'-methyl ether	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(C)C(=O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1	InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20,23-29,31-32,34-37H,1-3H3
HMDB00442	(S)-3-Hydroxybutyric acid	C[C@H](O)CC(O)=O	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
HMDB37421	Apimaysin	CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19,22-28,30-31,33-36H,1-2H3
HMDB45537	TG(20:0/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,34,39,42,56H,4-24,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b27-25-,34-31-,42-39-
HMDB37422	Isoscoparin 2''-O-glucoside	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2O1	InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-15(41-13)6-12(33)19(22(18)36)26-27(24(38)21(35)16(7-29)42-26)44-28-25(39)23(37)20(34)17(8-30)43-28/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3
HMDB45536	TG(20:0/16:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB00444	3-Furoic acid	OC(=O)C1=COC=C1	InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
HMDB37423	Isoscoparin 2''-(6-(E)-p-coumaroylglucoside)	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C3O)=C(O)C=C2O1	InChI=1S/C37H38O18/c1-50-22-10-16(5-8-18(22)40)21-11-19(41)27-23(52-21)12-20(42)28(31(27)46)35-36(33(48)29(44)24(13-38)53-35)55-37-34(49)32(47)30(45)25(54-37)14-51-26(43)9-4-15-2-6-17(39)7-3-15/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-4+
HMDB45535	TG(20:0/16:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,54H,4-25,27-28,30-53H2,1-3H3/b29-26-
HMDB00445	Alpha-Tetrasaccharide	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O[C@]1([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C26H45NO20/c1-7-14(35)19(40)20(41)25(42-7)47-23-22(46-24-13(27-8(2)32)18(39)16(37)11(5-30)43-24)17(38)12(6-31)44-26(23)45-21(10(34)4-29)15(36)9(33)3-28/h3,7,9-26,29-31,33-41H,4-6H2,1-2H3,(H,27,32)/t7-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20-,21+,22-,23+,24+,25-,26-/m0/s1
HMDB45534	TG(20:0/16:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB00446	N-Alpha-acetyllysine	CC(=O)NC(CCCCN)C(O)=O	InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
HMDB45533	TG(20:0/16:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB00447	7a,12a-Dihydroxy-3-oxo-4-cholenoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C	InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
HMDB45812	TG(20:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17-18,20-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB45532	TG(20:0/16:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-
HMDB29379	Sinapine	COC1=CC(\C=C/C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O	InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
HMDB29378	(-)-Thebaine	COC1=CC=C2C3CC4=C5C(OC1C25CCN3C)=C(OC)C=C4	InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3
HMDB45531	TG(20:0/16:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB29373	Solacauline	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OCC(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C43H69NO14/c1-19-5-8-26-20(2)31-27(44(26)15-19)14-25-23-7-6-21-13-22(9-11-42(21,3)24(23)10-12-43(25,31)4)55-39-36(50)33(47)29(17-53-39)57-40-37(51)34(48)30(18-54-40)58-41-38(52)35(49)32(46)28(16-45)56-41/h6,19-20,22-41,45-52H,5,7-18H2,1-4H3
HMDB29372	2'-Hydroxydaidzein	[H]OC1=C([H])C(O[H])=C(C([H])=C1[H])C1=C([H])OC2=C(C([H])=C([H])C(O[H])=C2[H])C1=O	InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
HMDB29371	gamma2-Solamarine	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1	InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3
HMDB29370	O-Methylcorypalline	COC1=CC2=C(CN(C)CC2)C=C1OC	InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
HMDB29377	Piperine	O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
HMDB29376	N-Methylporphyroxine	COC1OC2C(N(C)CCC3=C2C=C(O)C(OC)=C3)C2=CC=C3OCOC3=C12	InChI=1S/C21H23NO6/c1-22-7-6-11-8-16(24-2)14(23)9-13(11)19-18(22)12-4-5-15-20(27-10-26-15)17(12)21(25-3)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3
HMDB29374	(E,E)-Trichostachine	O=C(\C=C\C=C\C1=CC=C2OCOC2=C1)N1CCCC1	InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2+
HMDB53650	TG(20:2n6/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,36,42,45,58H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,36-33-,45-42-
HMDB51128	TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17,20,25-30,38-39,41-42,47-48,50-51,64H,4-16,18-19,21-24,31-37,40,43-46,49,52-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB51402	TG(20:3(5Z,8Z,11Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,35,41,44,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,35-32-,44-41-
HMDB51403	TG(20:3(5Z,8Z,11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,35,37,40-41,44,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB06239	S-aminomethyldihydrolipoamide	NCSCCC(S)CCCCC(N)=O	InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)
HMDB51400	TG(20:3(5Z,8Z,11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB51401	TG(20:3(5Z,8Z,11Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-15,17-18,20-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB00879	Tetrahydrodeoxycorticosterone	[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
HMDB00878	Ergosterol	CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24?,25?,26?,27-,28+/m0/s1
HMDB49648	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,38-39,42,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-
HMDB00875	Trigonelline	C[N+]1=CC(=CC=C1)C([O-])=O	InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
HMDB00874	Tauroursodeoxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)CC2C[C@H](O)CC[C@]12C	InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17?,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
HMDB00877	Umanopterin	NC1=NC(=O)C2=NC(=CN=C2N1)[C@@H](O)[C@H](O)CO	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m1/s1
HMDB00876	Vitamin D3	CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26?,27-/m1/s1
HMDB00871	5alpha-Cholestanone	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB00870	Histamine	NCCC1=CNC=N1	InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
HMDB00873	4-Methylcatechol	CC1=CC(O)=C(O)C=C1	InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
HMDB00872	Tetradecanedioic acid	OC(=O)CCCCCCCCCCCCC(O)=O	InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
HMDB06235	1D-Myo-inositol 3,4-bisphosphate	O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1
HMDB51404	TG(20:3(5Z,8Z,11Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,43,46,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB06234	1D-Myo-inositol 1,3-bisphosphate	O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O	InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6-
HMDB51405	TG(20:3(5Z,8Z,11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB14500	Chlorzoxazone	ClC1=CC2=C(OC(=O)N2)C=C1	InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
HMDB14501	Aminoglutethimide	CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1	InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
HMDB14502	Mefloquine	OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F	InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2
HMDB14503	Sulfadiazine	NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1	InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
HMDB14505	Vinorelbine	[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC	InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45+/m0/s1
HMDB14506	Anidulafungin	[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O	InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1
HMDB14507	Clozapine	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12	InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
HMDB14508	Sucralfate	O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O	InChI=1S/C11H20O35S8.8Al.16H2O/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;16*1H2/q;8*+3;;;;;;;;;;;;;;;;/p-24/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1
HMDB14509	Grepafloxacin	CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O	InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)
HMDB49643	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,33,35,41,44,62H,4-7,9-10,12-16,18-19,22-23,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-
HMDB55613	TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-36,38-39,42,61H,4-6,9,12-15,18,22-23,27,31,33,37,40-41,43-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-
HMDB49642	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB55612	TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-37,42,45,59H,4-6,9,12-15,18,22-23,27,31-32,38-41,43-44,46-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,45-42-
HMDB49645	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28-29,31-32,34,38,41,59H,4-6,8-9,11-15,17-18,22,26-27,30,33,35-37,39-40,42-58H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,41-38-
HMDB32490	Prenyl formate	CC(C)=CCOC=O	InChI=1S/C6H10O2/c1-6(2)3-4-8-5-7/h3,5H,4H2,1-2H3
HMDB49644	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,37,43,46,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-34-,46-43-
HMDB06334	3-Dehydro-L-gulonate	OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3+,5-/m0/s1
HMDB06335	Beta-tocopherol	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=CC(O)=C2C	InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
HMDB06336	ADP-ribose 2'-phosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)[C@@H](O)[C@H]3OP(O)(O)=O)C2=NC=N1	InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(35-38(25,26)27)9(23)6(33-14)2-32-39(28,29)37-40(30,31)36-15-10(24)8(22)5(1-21)34-15/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
HMDB32491	Prenyl isobutyrate	CC(C)C(=O)OCC=C(C)C	InChI=1S/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3
HMDB06330	D-Mannose 1-phosphate	OC[C@H]1OC(OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1
HMDB06331	cis,cis-Muconic acid	OC(=O)\C=C/C=C\C(O)=O	InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
HMDB52120	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,38,40-41,43,49,52,64H,4-7,9-10,12-16,18-19,21-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB52121	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,38,40-41,43,47,49-50,52,64H,4-7,9-10,12-16,18-19,21-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB52122	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,38,42-43,45-46,51,54,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB49646	TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-6,8-9,11-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-
HMDB52124	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,38,41,47,50,63H,4-24,27,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b28-25-,29-26-,41-38-,50-47-
HMDB52125	TG(24:1(15Z)/22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,70H,4-24,31-69H2,1-3H3/b28-25-,29-26-,30-27-
HMDB52126	TG(24:1(15Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,39,65H,4-20,22-23,27,31-38,40-64H2,1-3H3/b24-21-,28-25-,29-26-,39-30-
HMDB52127	TG(24:1(15Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,44,47,64H,4-17,19-20,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-,47-44-
HMDB55615	TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,35,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34,36-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,35-33-
HMDB55614	TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-36,38-39,42,48,51,61H,4-6,9,12-15,18,22-23,27,31,33,37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,51-48-
HMDB55537	TG(20:4(8Z,11Z,14Z,17Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,37,40,54H,4-6,9,12-15,18,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-
HMDB01931	Gamma-CEHC	CC1=CC=C2CCC(C)(CCC(O)=O)OC2=C1C	InChI=1S/C15H20O3/c1-10-4-5-12-6-8-15(3,9-7-13(16)17)18-14(12)11(10)2/h4-5H,6-9H2,1-3H3,(H,16,17)
HMDB01930	Ranitidine	CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O	InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
HMDB58058	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,41-43,47,55,59,78-80,85H,5-20,22-24,28-29,32,34-35,39-40,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB56962	CL(18:0/18:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27,31,75-77,82H,5-26,28-30,32-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-/t75?,76-,77-/m1/s1
HMDB58059	CL(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,40-41,43-44,49,53,61,65,80-82,87H,5-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58710	CL(18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,28-30,32,35,39-40,46-49,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-/t82?,83-,84-/m1/s1
HMDB10519	TG(20:4(5Z,8Z,11Z,14Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,38,41,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1
HMDB10518	TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso3]	[H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,37-38,40-41,54H,4-15,18,21-23,28-29,34-36,39,42-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB10513	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))[iso3]	[H]C(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-28,30-32,35,41,44,56H,4-7,10,13-15,22-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,44-41-
HMDB10512	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,39,45,48,58H,4-6,13-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m1/s1
HMDB10511	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,39,58H,4-6,13-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB10510	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-33,36,39,45,48,58H,4-6,9,12-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m1/s1
HMDB10517	TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,36,39,52H,4-7,9-10,12-15,18,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1
HMDB10516	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,8,11,13-15,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-/t60-/m1/s1
HMDB10515	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8,11,13-15,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m1/s1
HMDB10514	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41-42,44-45,58H,4-6,8,11,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m0/s1
HMDB07067	DG(15:0/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,30,33H,3-9,11,13-29H2,1-2H3/b12-10-/t30-/m0/s1
HMDB07066	DG(15:0/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-19-16-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m0/s1
HMDB07065	DG(14:1(9Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h10,12,16-17,39,42H,3-9,11,13-15,18-38H2,1-2H3/b12-10-,17-16-/t39-/m0/s1
HMDB07064	DG(14:1(9Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h10,12,39,42H,3-9,11,13-38H2,1-2H3/b12-10-/t39-/m0/s1
HMDB07063	DG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,28,30,37,40H,3-4,6,8-9,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-/m0/s1
HMDB07062	DG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,37,40H,3-4,6,8-9,14-15,18,21,23,25-36H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
HMDB07061	DG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,28,30,37,40H,3-9,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-/m0/s1
HMDB07060	DG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,22,24,37,40H,3-9,14-15,18,21,23,25-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
HMDB54405	TG(22:2(13Z,16Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,44,47,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-,47-44-
HMDB54404	TG(22:2(13Z,16Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,38,64H,4-8,10-11,13-16,19,22-25,28,30-37,39-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,38-27-
HMDB54407	TG(22:2(13Z,16Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,49,52,66H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-,52-49-
HMDB54406	TG(22:2(13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,40,43,66H,4-8,10-11,13-16,19,22-25,28,31-39,41-42,44-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,43-40-
HMDB54401	TG(22:2(13Z,16Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,68H,4-16,19,22-25,28,31-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-
HMDB54400	TG(22:2(13Z,16Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,63H,4-15,17-18,20-24,26-27,29-62H2,1-3H3/b19-16-,28-25-
HMDB07069	DG(15:0/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1
HMDB07068	DG(15:0/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m0/s1
HMDB56933	CL(18:0/16:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27,31,71-73,78H,5-26,28-30,32-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-/t71?,72-,73-/m1/s1
HMDB56932	CL(18:0/16:0/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,30,69-71,76H,5-25,27-29,31-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-/t69?,70-,71-/m1/s1
HMDB56931	CL(18:0/16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56930	CL(18:0/16:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB56937	CL(18:0/16:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26-27,30-31,73-75,80H,5-25,28-29,32-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-/t73?,74-,75-/m1/s1
HMDB56936	CL(18:0/16:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,30,73-75,80H,5-25,27-29,31-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-/t73?,74-,75-/m1/s1
HMDB56935	CL(18:0/16:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,29,71-73,78H,5-24,26-28,30-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-/t71?,72-,73-/m1/s1
HMDB56934	CL(18:0/16:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-27,30-31,69-71,76H,5-25,28-29,32-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-/t69?,70-,71-/m1/s1
HMDB58957	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58956	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB56939	CL(18:0/16:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71?,72-,73-/m1/s1
HMDB56938	CL(18:0/16:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,30,35,38,73-75,80H,5-25,27-29,31-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,38-35-/t73?,74-,75-/m1/s1
HMDB58712	CL(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,47,50,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-46,48-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-/t79?,80-,81-/m1/s1
HMDB58952	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-49,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB58951	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,68-69,72-73,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-54,58,62-67,70-71,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB58950	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,68,72,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-54,58,62-67,69-71,73-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,72-68-/t88?,89-,90-/m1/s1
HMDB50956	TG(20:3(5Z,8Z,11Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-
HMDB12612	19-Hydroxydeoxycorticosterone	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(=O)CO	InChI=1S/C21H30O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,15-18,22-23H,2-9,11-12H2,1H3/t15?,16?,17?,18-,20+,21-/m1/s1
HMDB12613	19-oic-deoxycorticosterone	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)=O)C1CC[C@@H]2C(=O)CO	InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14?,15?,16?,17-,20+,21-/m1/s1
HMDB12610	18E-20-Oxo-20-CoA-LTE4	O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/C\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C44H67N8O22P3S2/c1-44(2,25-71-77(68,69)74-76(66,67)70-23-30-37(73-75(63,64)65)36(58)42(72-30)52-27-51-35-39(46)49-26-50-40(35)52)38(59)41(60)48-20-19-32(54)47-21-22-78-34(57)18-13-11-9-7-5-3-4-6-8-10-12-16-31(79-24-28(45)43(61)62)29(53)15-14-17-33(55)56/h4-8,10,12-13,16,18,26-31,36-38,42,53,58-59H,3,9,11,14-15,17,19-25,45H2,1-2H3,(H,47,54)(H,48,60)(H,55,56)(H,61,62)(H,66,67)(H,68,69)(H2,46,49,50)(H2,63,64,65)/p-4/b6-4-,7-5-,10-8+,16-12+,18-13+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1
HMDB12611	18R-HEPE	CC[C@H](O)\C=C\C=C/C\C=C\C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5+,12-10-,13-11-,17-15+/t19-/m0/s1
HMDB12614	19-Oxo-deoxycorticosterone	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=O)C1CC[C@@H]2C(=O)CO	InChI=1S/C21H28O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,12,15-18,22H,2-9,11H2,1H3/t15?,16?,17?,18-,20+,21-/m1/s1
HMDB50955	TG(20:3(5Z,8Z,11Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB58714	CL(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-49,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-/t82?,83-,84-/m1/s1
HMDB43553	TG(15:0/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,61H,4-16,18-19,21-24,29-60H2,1-3H3/b20-17-,27-25-,28-26-
HMDB43552	TG(15:0/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3/b20-17-,27-25-,28-26-
HMDB43551	TG(15:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,35,41,44,57H,4-15,17-18,20-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b19-16-,27-25-,28-26-,35-33-,44-41-
HMDB50953	TG(20:3(5Z,8Z,11Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32-33,36,38,41-42,45,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-
HMDB00596	Glucosylsphingosine	CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18?,19?,20-,21-,22+,23-,24?/m1/s1
HMDB00594	Glutamylphenylalanine	N[C@@H](CCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C(O)=O	InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1
HMDB00595	Hydrogen carbonate	OC([O-])=O	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
HMDB00592	Glucosamine 6-sulfate	N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
HMDB00593	PC(18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-
HMDB00590	Glutarylglycine	OC(=O)CCCC(=O)NCC(O)=O	InChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13)
HMDB48725	TG(16:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,35,38,44,47,60H,4-20,22-23,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b24-21-,27-25-,28-26-,38-35-,47-44-
HMDB43557	TG(15:0/22:2(13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,35,57H,4-15,18,21-24,29-32,34,36-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-33-
HMDB48727	TG(16:1(9Z)/24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,64H,4-20,22-23,29-63H2,1-3H3/b24-21-,27-25-,28-26-
HMDB48726	TG(16:1(9Z)/24:1(15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,62H,4-20,22-23,29-61H2,1-3H3/b24-21-,27-25-,28-26-
HMDB48721	TG(16:1(9Z)/24:1(15Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h20-21,23-26,56H,4-19,22,27-55H2,1-3H3/b23-20-,24-21-,26-25-
HMDB48720	TG(16:1(9Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,57H,4-20,22-23,26,28-56H2,1-3H3/b24-21-,27-25-
HMDB00598	Sulfide	[S--]	InChI=1S/S/q-2
HMDB00599	Chromium	[Cr+3]	InChI=1S/Cr/q+3
HMDB49098	TG(18:1(11Z)/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h20,23,25,27,57H,4-19,21-22,24,26,28-56H2,1-3H3/b23-20-,27-25-
HMDB43555	TG(15:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,36,39,55H,4-15,18,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,39-36-
HMDB49094	TG(18:1(11Z)/15:0/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,26,28,51H,4-18,20-21,23-25,27,29-50H2,1-3H3/b22-19-,28-26-
HMDB49095	TG(18:1(11Z)/15:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,53H,4-19,21-22,24,26,28-52H2,1-3H3/b23-20-,27-25-
HMDB49096	TG(18:1(11Z)/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30,32,37,40,53H,4-19,21-22,24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b23-20-,27-25-,32-30-,40-37-
HMDB43554	TG(15:0/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,32,56H,4-15,17-18,21-22,24,26,29-31,33-55H2,1-3H3/b19-16-,23-20-,27-25-,32-28-
HMDB49090	TG(18:1(11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-
HMDB49091	TG(18:1(11Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,41,44,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-,44-41-
HMDB49092	TG(18:1(11Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(58-53(55)47-44-41-38-35-31-21-18-15-12-9-6-3)50-57-52(54)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB49093	TG(18:1(11Z)/15:0/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,51H,4-18,21,24-50H2,1-3H3/b22-19-,23-20-
HMDB43559	TG(15:0/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,59H,4-15,18,21-24,29-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-
HMDB43558	TG(15:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,35,41,44,57H,4-15,18,21-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-33-,44-41-
HMDB00048	Melibiose	OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1
HMDB00044	Ascorbic acid	[H][C@]1(OC(O)=C(O)C1=O)[C@H](O)CO	InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m1/s1
HMDB00045	Adenosine monophosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
HMDB00042	Acetic acid	CC(O)=O	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
HMDB00043	Betaine	C[N+](C)(C)CC([O-])=O	InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
HMDB03584	Taurocyamine	NC(N)=NCCS(O)(=O)=O	InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
HMDB03585	Thiocysteine	N[C@H](CSS)C(O)=O	InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
HMDB50894	TG(20:3(5Z,8Z,11Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,38-39,41-42,55H,4-15,17-18,20-24,29-30,35-37,40,43-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB50895	TG(20:3(5Z,8Z,11Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,35,40,43,57H,4-15,17-18,20-24,29-32,34,36-39,41-42,44-56H2,1-3H3/b19-16-,27-25-,28-26-,35-33-,43-40-
HMDB50892	TG(20:3(5Z,8Z,11Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,31,33,38,41,54H,4-13,15-16,18-22,24,28-30,32,34-37,39-40,42-53H2,1-3H3/b17-14-,26-23-,27-25-,33-31-,41-38-
HMDB03581	Dethiobiotin	C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O	InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
HMDB50890	TG(20:3(5Z,8Z,11Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30-31,33,38,41,54H,4-19,21-22,24,26,29,32,34-37,39-40,42-53H2,1-3H3/b23-20-,27-25-,30-28-,33-31-,41-38-
HMDB50891	TG(20:3(5Z,8Z,11Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,34,36-37,40,53H,4-16,18-19,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,36-34-,40-37-
HMDB50898	TG(20:3(5Z,8Z,11Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,37,40,53H,4-7,9-10,12-16,18-19,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,40-37-
HMDB50899	TG(20:3(5Z,8Z,11Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,34,36-37,40,53H,4-7,9-10,12-16,18-19,21-24,28,31,33,35,38-39,41-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,36-34-,40-37-
HMDB52946	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-29,31,33,35-36,39,52H,4-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB52947	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,30,35,37,54H,4-14,21-23,27-29,31-34,36,38-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,30-25-,37-35-
HMDB52944	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h13,15-18,20,22,24-25,27,32,34,51H,4-12,14,19,21,23,26,28-31,33,35-50H2,1-3H3/b16-13-,18-15-,20-17-,24-22-,27-25-,34-32-
HMDB52945	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-29,31,33,35,52H,4-14,21-23,27,30,32,34,36-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-
HMDB52942	TG(18:3(6Z,9Z,12Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,27,35,41,44,61H,4-17,19-20,22-26,28-34,36-40,42-43,45-60H2,1-3H3/b21-18-,35-27-,44-41-
HMDB52943	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,31-34,50H,4-14,21-23,28-30,35-49H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,34-32-
HMDB52940	TG(18:3(6Z,9Z,12Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,42,44-45,47,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-
HMDB52941	TG(18:3(6Z,9Z,12Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,42,44-45,47,51,54,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-
HMDB57325	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,51-52,55-56,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-50,53-54,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-/t84-,85-/m1/s1
HMDB57324	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66-68,70-72,87-89,94H,5-8,10,12,14,16-20,24,28-32,36,40-42,49-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB57327	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,28,32-33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB56797	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-44,49-50,53-54,61-62,65-66,81-83,88H,5-20,23-24,27-32,38-39,45-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB57321	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57320	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,10,12,14,16-20,24,28-32,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB52948	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-37,54H,4-14,21-23,27,31-32,34,38-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-
HMDB52949	TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-37,41,44,54H,4-14,21-23,27,31-32,34,38-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-,44-41-
HMDB52390	TG(24:1(15Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-
HMDB31453	Carbonate	[O-]C([O-])=O	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
HMDB31452	Lignans	COC1=CC(=CC(OC)=C1OC)[C@H]1[C@H]2C(COC2=O)[C@@H](O)C2=CC3=C(OCO3)C=C12	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19-,20+/m1/s1
HMDB31450	N-Decane	CCCCCCCCCC	InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
HMDB31457	Corilagin	O[C@@H]1[C@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)O2	InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1
HMDB31456	2-Methylpropan-2-ol	CC(C)(C)O	InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
HMDB31455	p-Menthane	CC(C)C1CCC(C)CC1	InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3
HMDB31454	trans-Jasmone	CC\C=C\CC1=C(C)CCC1=O	InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4+
HMDB31459	3-Methoxybenzaldehyde	COC1=CC(C=O)=CC=C1	InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
HMDB31458	Cyanidin 3-rutinoside	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1
HMDB07805	DG(24:0/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45,48H,3-11,13,15-17,19,21-44H2,1-2H3/b14-12-,20-18-/t45-/m0/s1
HMDB07804	DG(24:0/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,45,48H,3-17,19,21-44H2,1-2H3/b20-18-/t45-/m0/s1
HMDB07807	DG(24:0/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,45,48H,3-11,13,15-17,19,21-27,29,31-44H2,1-2H3/b14-12-,20-18-,30-28-/t45-/m0/s1
HMDB07806	DG(24:0/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,28,30,34,36,45,48H,3-17,19,21-27,29,31-33,35,37-44H2,1-2H3/b20-18-,30-28-,36-34-/t45-/m0/s1
HMDB07801	DG(24:0/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,43,46H,3-5,7,9-11,13,15-17,19-24,26-42H2,1-2H3/b8-6-,14-12-,25-18-/t43-/m0/s1
HMDB07800	DG(24:0/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,30,32,43,46H,3-11,13,15-17,19-24,26-29,31,33-42H2,1-2H3/b14-12-,25-18-,32-30-/t43-/m0/s1
HMDB07803	DG(24:0/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3/t45-/m0/s1
HMDB07802	DG(24:0/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,30,32,43,46H,3-5,7,9-11,13,15-17,19-24,26-29,31,33-42H2,1-2H3/b8-6-,14-12-,25-18-,32-30-/t43-/m0/s1
HMDB35529	Chlorosesamone	CC(C)=CCC1=C(Cl)C(=O)C2=C(O)C=CC(O)=C2C1=O	InChI=1S/C15H13ClO4/c1-7(2)3-4-8-13(16)15(20)12-10(18)6-5-9(17)11(12)14(8)19/h3,5-6,17-18H,4H2,1-2H3
HMDB35528	Capsicum annuum Fluorescent chlorophyll catabolite	CCC1=C(CC2=C(C)C3=C(N2)\C(C(C(=O)OC)C3=O)=C2/N=C(CC3NC(=O)C(C=C)=C3C)C(C)C2CCC(O)=O)NC(C=O)=C1C	InChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-
HMDB07809	DG(24:0/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,28,30,45,48H,3-5,7,9-11,13,15-17,19,21-27,29,31-44H2,1-2H3/b8-6-,14-12-,20-18-,30-28-/t45-/m0/s1
HMDB07808	DG(24:0/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,34,36,45,48H,3-11,13,15-17,19,21-27,29,31-33,35,37-44H2,1-2H3/b14-12-,20-18-,30-28-,36-34-/t45-/m0/s1
HMDB48899	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,38,44,47,56H,4-15,17-18,20,22-23,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,38-35-,47-44-
HMDB48898	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,35,38,44,47,56H,4-15,17-18,22,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,38-35-,47-44-
HMDB57819	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB57818	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57817	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB50159	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-6,8-9,11-15,18,21-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-
HMDB57815	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t80-,81-/m1/s1
HMDB57814	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-54,56-58,64,66,68,70,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,55,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB57813	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-54,56-58,64,68,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,55,59-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-/t85?,86-,87-/m1/s1
HMDB57812	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,42-47,52-54,56-58,64,66,68,70,85-87,92H,5-8,11-12,15-20,24,29-31,39-41,48-51,55,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB57811	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,50,52,58,62,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB57810	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-54,56-58,66,70,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,55,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB48893	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,40,42,45,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB59027	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,46-47,49-50,52,56-58,61-62,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,48,51,53-55,59-60,63-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,50-47-,56-52-,61-57-,62-58-/t83?,84-,85-/m1/s1
HMDB02358	Carnosic acid	CC(C)C1=CC2=C(C(O)=C1O)[C@]1(CCCC(C)(C)C1CC2)C(O)=O	InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14?,20-/m1/s1
HMDB02359	Phenylpropiolic acid	OC(=O)C#CC1=CC=CC=C1	InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
HMDB02356	Hexacosanoic acid	CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)
HMDB02354	Hawkinsin	NC(CSC1CC(O)C=CC1(O)CC(O)=O)C(O)=O	InChI=1S/C11H17NO6S/c12-7(10(16)17)5-19-8-3-6(13)1-2-11(8,18)4-9(14)15/h1-2,6-8,13,18H,3-5,12H2,(H,14,15)(H,16,17)
HMDB02355	Leukotriene E3	CCCCCCCC\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O	InChI=1S/C23H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
HMDB02352	Capsidiol	C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C	InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1
HMDB02353	Dicrocin	OC[C@H]1OC(OC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32?/m1/s1
HMDB02350	Octadecanol	CCCCCCCCCCCCCCCCCCO	InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
HMDB56807	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB48890	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,38,56H,4-7,9-10,12-15,18,22-23,28,32-34,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-
HMDB48897	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-21,23-26,28-29,33,36,42,45,54H,4-15,17-18,22,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,29-28-,36-33-,45-42-
HMDB48896	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,38,57H,4-15,17-18,20,22-23,26,28-29,32-34,36-37,39-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,38-35-
HMDB48895	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,47,50,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-
HMDB48894	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB56806	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-38,41-42,44-46,50-52,55-56,58,62-63,67,83-85,90H,5-9,11-13,15-20,24,28-32,39-40,43,47-49,53-54,57,59-61,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-,67-63-/t83?,84-,85-/m1/s1
HMDB46504	TG(22:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,39,42,48,51,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,42-39-,51-48-
HMDB30322	Papaveraldine	COC1=CC=C(C=C1OC)C(=O)C1=NC=CC2=C1C=C(OC)C(OC)=C2	InChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3
HMDB30323	Paxilline	CC(C)(O)C1OC2CCC3(C)C4(C)C(CC5=C4NC4=C5C=CC=C4)CCC3(O)C2=CC1=O	InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3
HMDB30320	Mukonine	COC(=O)C1=CC2=C(NC3=C2C=CC=C3)C(OC)=C1	InChI=1S/C15H13NO3/c1-18-13-8-9(15(17)19-2)7-11-10-5-3-4-6-12(10)16-14(11)13/h3-8,16H,1-2H3
HMDB30321	beta1-Chaconine	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O	InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3
HMDB30326	Methylisopelletierine	CN1CCCCC1CC(C)=O	InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3
HMDB30327	Perlolyrine	OCC1=CC=C(O1)C1=NC=CC2=C1NC1=C2C=CC=C1	InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2
HMDB30324	(R)-Pelletierine	CC(=O)C[C@H]1CCCCN1	InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m1/s1
HMDB30325	()-Pelletierine	CC(=O)CC1CCCCN1	InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3
HMDB30328	Petasitenine	CC1OC11CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23[O-].CC1OC11CC(C)C(C)(O)C(=O)OC\C2=C\CN(C)CCC(OC1=O)C2=O	InChI=1S/2C19H27NO7/c1-11-9-18(12(2)27-18)16(22)26-14-6-8-20(4)7-5-13(19(14,20)24)10-25-15(21)17(11,3)23;1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,23H,6-10H2,1-4H3;5,11-12,14,24H,6-10H2,1-4H3/b;13-5-
HMDB30329	Neopetasitenine	CC1OC11CC(C)C(C)(OC(C)=O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23[O-].CC1OC11CC(C)C(C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CCC(OC1=O)C2=O	InChI=1S/2C21H29NO8/c1-12-10-20(13(2)29-20)18(25)28-16-7-9-22(5)8-6-15(21(16,22)26)11-27-17(24)19(12,4)30-14(3)23;1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h2*6,12-13,16H,7-11H2,1-5H3/b;15-6-
HMDB56805	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,41-42,44-46,50-52,55-56,58,62-64,67-68,83-85,90H,5-20,24,28-32,39-40,43,47-49,53-54,57,59-61,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB58615	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-37,40-44,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,38-39,45-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB56804	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,40,43-45,48-50,54,56-57,60-62,66,81-83,88H,5-20,24,28-32,39,41-42,46-47,51-53,55,58-59,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB39185	1,4,6-Trigalloyl-beta-D-glucopyranose	OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2
HMDB39184	Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside	COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C28H26O18/c1-42-28-24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)22(38)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3
HMDB02972	Vitamin K1 2,3-epoxide	CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC12OC1(C)C(=O)C1=CC=CC=C1C2=O	InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+
HMDB58616	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB56803	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1
HMDB08053	PC(18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,46H,6-13,15,17-19,21,23-45H2,1-5H3/b16-14-,22-20-/t46-/m1/s1
HMDB03000	Lycopene	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C	InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
HMDB08051	PC(18:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1
HMDB08050	PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,44H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-/t44-/m1/s1
HMDB08057	PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
HMDB08056	PC(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-/t46-/m1/s1
HMDB08055	PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,35,37,46H,6-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
HMDB08054	PC(18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,46H,6-13,15,17-19,21,23,26-28,30,32-45H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t46-/m1/s1
HMDB08059	PC(18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/b22-20-/t48-/m1/s1
HMDB08058	PC(18:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1
HMDB51309	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34-35,37,42-43,45-46,60H,4-8,10-11,13-15,17,20,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB51308	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-36,40-45,58H,4-8,10-11,13-15,17,20,22-24,30-31,37-39,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB55415	TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30-32,36,38-39,41,45,48,58H,4-6,9,12-15,18,22-23,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-
HMDB47391	TG(24:0/18:3(6Z,9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,40,43,58H,4-16,18-19,22-23,25,27-32,34-39,41-42,44-57H2,1-3H3/b20-17-,24-21-,33-26-,43-40-
HMDB55417	TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,54H,4-6,9,12-15,18,21-24,31-33,36,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB55416	TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,35,38,55H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-
HMDB55411	TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,34-35,37-38,54H,4-6,9,12-15,18,22-23,27,30-33,36,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-34-,38-35-
HMDB55410	TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-
HMDB55413	TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28,30,32,34,36,39-40,43,56H,4-6,9,12-15,18,22-23,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB47390	TG(24:0/18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,32,38,41,56H,4-14,16,19,21-24,26-31,33-37,39-40,42-55H2,1-3H3/b18-15-,20-17-,32-25-,41-38-
HMDB55419	TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30-32,34,36,39-40,43,56H,4-6,9,12-15,18,21-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB47393	TG(24:0/18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,26-27,34-35,42,45,60H,4-17,19-20,22-25,28-33,36-41,43-44,46-59H2,1-3H3/b21-18-,34-26-,35-27-,45-42-
HMDB47392	TG(24:0/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,35,42,45,60H,4-17,19,22,24-26,28-34,36-41,43-44,46-59H2,1-3H3/b21-18-,23-20-,35-27-,45-42-
HMDB39189	2-Cinnamoyl-1-galloyl-beta-D-glucopyranose	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)\C=C/C2=CC=CC=C2)C(O)C1O	InChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6-
HMDB39188	1,2,3,6-Tetragalloyl-beta-D-glucopyranose	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2
HMDB58610	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB56801	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-45,50-51,54-55,62-63,66-67,82-84,89H,5-20,23-24,28-30,32,35,39-40,46-49,52-53,56-61,64-65,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,66-62-,67-63-/t82?,83-,84-/m1/s1
HMDB47397	TG(24:0/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,40,48,51,66H,4-17,19-20,22-24,26,29-39,41-47,49-50,52-65H2,1-3H3/b21-18-,28-25-,40-27-,51-48-
HMDB07188	DG(18:1(11Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40H,3-12,17-36H2,1-2H3/b15-13-,16-14-/t37-/m0/s1
HMDB47396	TG(24:0/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,38,46,49,64H,4-17,19-20,22-25,28,30-37,39-45,47-48,50-63H2,1-3H3/b21-18-,29-26-,38-27-,49-46-
HMDB07189	DG(18:1(11Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37,40H,3-12,14,16-17,19,21-36H2,1-2H3/b15-13-,20-18-/t37-/m0/s1
HMDB57692	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,53,57,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51-52,54-56,58-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,57-53-/t77?,78-,79-/m1/s1
HMDB58611	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-39,43-49,54-56,58-60,66-67,70-71,87-89,94H,5-10,12-14,16-20,24,28-32,40-42,50-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB07184	DG(18:1(11Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h13,15,34,37H,3-12,14,16-33H2,1-2H3/b15-13-/t34-/m0/s1
HMDB56800	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)101-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-43,48,52,60,64,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB07185	DG(18:1(11Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,35,38H,3-12,14,16-34H2,1-2H3/b15-13-/t35-/m0/s1
HMDB58558	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,41-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,27-32,39-40,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,42-36-,47-43-,48-44-,59-55-,60-56-/t80-,81-/m1/s1
HMDB58612	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-10,12-14,16-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB33149	(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one	CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)CO	InChI=1S/C15H24O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6,11-12,16,18H,4-5,7-9H2,1-3H3
HMDB33148	Artocarpetin B	COC1=CC(O)=C2C(=O)C=C(OC2=C1CC=C(C)C)C1=CC=C(O)C=C1OC	InChI=1S/C22H22O6/c1-12(2)5-7-15-19(27-4)10-16(24)21-17(25)11-20(28-22(15)21)14-8-6-13(23)9-18(14)26-3/h5-6,8-11,23-24H,7H2,1-4H3
HMDB33143	Pyrraline	NC(CCCCN1C(CO)=CC=C1C=O)C(O)=O	InChI=1S/C12H18N2O4/c13-11(12(17)18)3-1-2-6-14-9(7-15)4-5-10(14)8-16/h4-5,7,11,16H,1-3,6,8,13H2,(H,17,18)
HMDB33142	Melilotocarpan A	COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC)=C3O)C1O2	InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3
HMDB33141	2-Amino-a-carboline	NC1=NC2=C(C=C1)C1=CC=CC=C1N2	InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)
HMDB33147	Cloransulam-methyl	CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(C=CC=C1Cl)C(=O)OC	InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
HMDB33146	2-(3,4-Dihydroxyphenyl)ethenol; (E)-form, 1-O-3,4-Dihydroxycinnamoyl(E-)	OC1=C(O)C=C(\C=C\OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1	InChI=1S/C17H14O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-10,18-21H/b6-3+,8-7+
HMDB33145	Azimsulfuron	COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=C(C=NN2C)C2=NN(C)N=N2)=N1	InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)
HMDB33144	Sennoside E	[H][C@@]1(C2=CC(=CC(O)=C2C(=O)C2=C1C=CC=C2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C(O)=O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C44H38O23/c45-11-23-31(49)35(53)37(55)43(65-23)63-21-5-1-3-15-25(17-7-13(39(56)57)9-19(47)27(17)33(51)29(15)21)26-16-4-2-6-22(30(16)34(52)28-18(26)8-14(40(58)59)10-20(28)48)64-44-38(67-42(62)41(60)61)36(54)32(50)24(12-46)66-44/h1-10,23-26,31-32,35-38,43-50,53-55H,11-12H2,(H,56,57)(H,58,59)(H,60,61)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,43-,44-/m1/s1
HMDB38397	Gancaonin O	CC(C)=CCC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O	InChI=1S/C20H18O6/c1-10(2)3-5-12-14(22)8-18-19(20(12)25)16(24)9-17(26-18)11-4-6-13(21)15(23)7-11/h3-4,6-9,21-23,25H,5H2,1-2H3
HMDB38396	Gancaonin D	COC1=C(O)C=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2C\C=C(/C)CO)C1=O	InChI=1S/C21H20O7/c1-11(9-22)3-5-13-15(23)8-17(25)19-20(26)14(10-28-21(13)19)12-4-6-18(27-2)16(24)7-12/h3-4,6-8,10,22-25H,5,9H2,1-2H3/b11-3+
HMDB44707	TG(18:0/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,52H,4-18,20-21,23-26,28,30-51H2,1-3H3/b22-19-,29-27-
HMDB58613	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-37,40-44,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB38395	Gancaonin C	C\C(CO)=C/CC1=C(O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(O)C=C1	InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17(24)18-19(25)15(10-26-20(14)18)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3/b11-2+
HMDB38394	O-Acetylethanolamine	CC(=O)OCCN	InChI=1S/C4H9NO2/c1-4(6)7-3-2-5/h2-3,5H2,1H3
HMDB32896	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8a,10b)-form, 3-Ketone, 6-angeloyl	C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(=O)C(C)C12C	InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-13,15,17H,7-9H2,1-5H3/b10-6+
HMDB38393	1,1-Diethoxypentane	CCCCC(OCC)OCC	InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3
HMDB32894	3-Benzoyloxy-11-oxo-12-ursen-28-oic acid	CC1CCC2(CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)C6=CC=CC=C6)C(C)(C)C5CCC34C)C2C1C)C(O)=O	InChI=1S/C37H50O5/c1-22-13-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)21-26(38)30-34(5)16-15-28(42-31(39)24-11-9-8-10-12-24)33(3,4)27(34)14-17-36(30,35)7/h8-12,21-23,27-30H,13-20H2,1-7H3,(H,40,41)
HMDB32895	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8a,10b)-form, 6-Angeloyl	C\C=C(\C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C	InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-15,17,21H,7-9H2,1-5H3/b10-6-
HMDB32892	Lablaboside A	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)=O)C(O)C(O)C1O	InChI=1S/C54H86O23/c1-22-30(57)33(60)38(65)44(70-22)75-41-35(62)32(59)26(21-56)72-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-45-39(66)34(61)31(58)25(20-55)71-45/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)
HMDB32893	Lablaboside C	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C60H96O28/c1-23-32(64)36(68)42(74)49(79-23)85-45-38(70)34(66)27(20-61)81-51(45)87-47-41(73)40(72)44(48(76)77)84-53(47)83-31-12-13-56(5)29(57(31,6)22-63)11-14-59(8)30(56)10-9-25-26-19-55(3,4)15-17-60(26,18-16-58(25,59)7)54(78)88-52-46(39(71)35(67)28(21-62)82-52)86-50-43(75)37(69)33(65)24(2)80-50/h9,23-24,26-47,49-53,61-75H,10-22H2,1-8H3,(H,76,77)
HMDB32890	2,6-Dimethoxy-4-phenanthrenol	COC1=CC2=C(C=C1)C=CC1=C2C(O)=CC(OC)=C1	InChI=1S/C16H14O3/c1-18-12-6-5-10-3-4-11-7-13(19-2)9-15(17)16(11)14(10)8-12/h3-9,17H,1-2H3
HMDB38392	Dihydromorelloflavone	OC1=CC=C(C=C1)C1OC2=C(C(O)=CC(O)=C2)C(=O)C1C1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C(O)=C1	InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2
HMDB42068	TG(14:0/14:0/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C45H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,42H,4-12,14-15,17-41H2,1-3H3/b16-13-
HMDB42069	TG(14:0/14:0/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h19,22,44H,4-18,20-21,23-43H2,1-3H3/b22-19-
HMDB45287	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-
HMDB45286	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,40-41,43-44,50,53,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-
HMDB45281	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,40-41,43-44,49-50,52-53,62H,4-15,18,21-24,27,30-31,36-39,42,45-48,51,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-,53-50-
HMDB38391	12-Methoxy-8,11,13-abietatrien-20,11-olide	COC1=C2OC(=O)C3CCC(C)(C)C4CCC(C=C1C(C)C)=C2C34	InChI=1S/C21H28O3/c1-11(2)14-10-12-6-7-15-17-13(8-9-21(15,3)4)20(22)24-19(16(12)17)18(14)23-5/h10-11,13,15,17H,6-9H2,1-5H3
HMDB44706	TG(18:0/15:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB45282	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30-32,37,40,46,49,58H,4-7,9-10,12-15,18,21-24,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,49-46-
HMDB42060	xylazine	CC1=CC=CC(C)=C1NC1=NCCCS1	InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
HMDB42061	TG(14:0/14:0/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
HMDB42062	TG(14:0/14:0/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C46H88O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h43H,4-42H2,1-3H3
HMDB35142	(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one	CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1	InChI=1S/C29H46O4/c1-7-21(31)22-16-18(2)29(33-22)15-14-27(5)20-8-9-23-25(3,19(20)10-13-28(27,29)6)12-11-24(32)26(23,4)17-30/h18,22-24,30,32H,7-17H2,1-6H3
HMDB42064	TG(14:0/14:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
HMDB42065	TG(14:0/14:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
HMDB42066	TG(14:0/14:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB42067	TG(14:0/14:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB08945	PE(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,41H,3-4,6,8-10,12,14-16,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,26-24-/t41-/m1/s1
HMDB08944	PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,41H,3-10,12,14-16,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1
HMDB08947	PE(16:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1
HMDB08946	PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,41H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1
HMDB08941	PE(16:0/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,41H,3-16,19-40,44H2,1-2H3,(H,47,48)/b18-17-/t41-/m1/s1
HMDB08940	PE(16:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1
HMDB08943	PE(16:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41H,3-10,12,14-16,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-,21-20-,26-24-/t41-/m1/s1
HMDB08942	PE(16:0/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,41H,3-10,12,14-16,19-40,44H2,1-2H3,(H,47,48)/b13-11-,18-17-/t41-/m1/s1
HMDB46950	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41-42,44-45,62H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB46951	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,34,37-38,41,43,46,64H,4-7,10,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB46952	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,64H,4-7,10,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB46953	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,66H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB08949	PE(16:0/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1
HMDB08948	PE(16:0/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,43H,3-16,19-42,46H2,1-2H3,(H,49,50)/b18-17-/t43-/m1/s1
HMDB46956	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,45,48,54,57,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,21-18-,30-27-,39-36-,48-45-,57-54-
HMDB46957	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,37,41,47,50,56,59,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,21-18-,30-27-,41-37-,50-47-,59-56-
HMDB09098	PE(18:2(9Z,12Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,41H,3-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-/t41-/m1/s1
HMDB09099	PE(18:2(9Z,12Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,41H,3-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-/t41-/m1/s1
HMDB09090	PE(18:2(9Z,12Z)/18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,39H,3-10,12,14-16,18,20-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-/t39-/m1/s1
HMDB09091	PE(18:2(9Z,12Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39H,3-10,12,15,18,20-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,19-17-/t39-/m1/s1
HMDB09092	PE(18:2(9Z,12Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,39H,3-10,12,14-16,21-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-,20-18-/t39-/m1/s1
HMDB09093	PE(18:2(9Z,12Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,39H,3-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-/t39-/m1/s1
HMDB09094	PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,39H,3-10,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1
HMDB09095	PE(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,39H,3-5,7,9-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b8-6-,13-11-,14-12-,19-17-,20-18-/t39-/m1/s1
HMDB09096	PE(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,39H,3-5,7,9-10,15-16,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-/m1/s1
HMDB09097	PE(18:2(9Z,12Z)/20:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,41H,3-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-/t41-/m1/s1
HMDB42125	TG(14:0/16:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB43476	TG(15:0/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,33,36,52H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-32,34-35,37-51H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-,36-33-
HMDB42124	TG(14:0/16:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
HMDB29179	4'-O-methyl-(-)-epicatechin	COC1=CC=C(C=C1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1
HMDB29178	4-thialysine	[H]OC(=O)[C@H](CSCCN([H])[H])N([H])[H]	InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
HMDB42398	TG(14:0/20:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,17,23-24,48H,4-13,15-16,18-22,25-47H2,1-3H3/b17-14-,24-23-
HMDB42399	TG(14:0/20:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23-25,50H,4-19,21-22,26-49H2,1-3H3/b23-20-,25-24-
HMDB29175	3'-O-methyl-(-)-epicatechin	COC1=CC(=CC=C1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1
HMDB29174	3-Sn-phosphatidylethanolamine	[H][N]([H])([H+])CCOP([O-])(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)
HMDB29177	3'-O-Methyl-(-)-epicatechin-7-O-sulphate	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OS([O-])=O)=C2	InChI=1S/C16H16O8S/c1-22-15-4-8(2-3-11(15)17)16-13(19)7-10-12(18)5-9(24-25(20)21)6-14(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)/p-1/t13-,16-/m1/s1
HMDB29176	3'-O-Methyl-(-)-epicatechin-5-O-sulphate	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(=CC(O)=C2)S([O-])=O	InChI=1S/C16H16O7S/c1-22-14-4-8(2-3-11(14)18)16-12(19)7-10-13(23-16)5-9(17)6-15(10)24(20)21/h2-6,12,16-19H,7H2,1H3,(H,20,21)/p-1/t12-,16-/m1/s1
HMDB29171	3-hydroxyadipic acid 3,6-lactone	[H]OC(=O)CC1([H])CCC(=O)O1	InChI=1S/C6H8O4/c7-5(8)3-4-1-2-6(9)10-4/h4H,1-3H2,(H,7,8)
HMDB29170	3-hydroxy-4-methoxymandelate	COC1=C(O)C=C(C=C1)[C@@H](O)C(O)=O	InChI=1S/C9H10O5/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
HMDB42390	TG(14:0/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,51H,4-24,26,28-50H2,1-3H3/b27-25-
HMDB29172	3-keto-2-methylbutyrate	CC(C(C)=O)C([O-])=O	InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/p-1
HMDB42129	TG(14:0/16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-
HMDB46488	TG(22:0/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,35,37,43,46,60H,4-20,22-23,25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b24-21-,29-26-,37-35-,46-43-
HMDB42128	TG(14:0/16:0/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-
HMDB46486	TG(22:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h21,24,26,32,58H,4-20,22-23,25,27-31,33-57H2,1-3H3/b24-21-,32-26-
HMDB46487	TG(22:0/18:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,60H,4-20,22-23,25,27-28,30-59H2,1-3H3/b24-21-,29-26-
HMDB46484	TG(22:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-
HMDB46485	TG(22:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-
HMDB46482	TG(22:0/18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-
HMDB46483	TG(22:0/18:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-
HMDB46480	TG(22:0/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-
HMDB46481	TG(22:0/18:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,62H,4-20,22-23,25-61H2,1-3H3/b24-21-
HMDB56357	DG(22:4n6/0:0/22:5n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB32238	(+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol	CC(O)C=C(C)CCC=C(C)C	InChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+
HMDB32239	2,4-Dimethyl-4-nonanol	CCCCCC(C)(O)CC(C)C	InChI=1S/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3
HMDB56356	DG(22:4n6/0:0/20:5n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-5,7,9-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-
HMDB32232	2,5-Dimethyl-4-ethoxy-3(2H)-furanone	CCOC1=C(C)OC(C)C1=O	InChI=1S/C8H12O3/c1-4-10-8-6(3)11-5(2)7(8)9/h5H,4H2,1-3H3
HMDB32233	2,5-Dimethyl-3(2H)-furanone	CC1OC(C)=CC1=O	InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
HMDB32230	2,4-Dimethyl-1,3-dioxolane	CC1COC(C)O1	InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3
HMDB32231	Dimethylethanolamine	CN(C)CCO	InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
HMDB32236	(+/-)-N,N-Dimethyl menthyl succinamide	CCCCC(C)C(=C)CCCC	InChI=1S/C12H24/c1-5-7-9-11(3)12(4)10-8-6-2/h12H,3,5-10H2,1-2,4H3
HMDB32237	2,5-Dimethyl-3-mercaptotetrahydrofuran	CC1CC(S)C(C)O1	InChI=1S/C6H12OS/c1-4-3-6(8)5(2)7-4/h4-6,8H,3H2,1-2H3
HMDB32234	2,5-Dimethyl-3-furanthiol acetate	CC(=O)SC1=C(C)OC(C)=C1	InChI=1S/C8H10O2S/c1-5-4-8(6(2)10-5)11-7(3)9/h4H,1-3H3
HMDB32235	2,6-Dimethyl-5-heptenal propyleneglycol acetal	CC(CCC=C(C)C)C1OCC(C)O1	InChI=1S/C12H22O2/c1-9(2)6-5-7-10(3)12-13-8-11(4)14-12/h6,10-12H,5,7-8H2,1-4H3
HMDB58070	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,48,50,54,56,60,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46-47,49,51-53,55,57-59,61-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,48-45-,54-50-,60-56-/t81?,82-,83-/m1/s1
HMDB56354	DG(22:4n6/0:0/18:4n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,41,44H,3-5,7,9-10,15-16,20,24-25,30-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-
HMDB58071	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,36-38,40,42,44-45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,39,41,43,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB46378	TG(22:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,41,44,64H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,44-41-
HMDB58072	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,41,45,48,56,60,77-79,84H,5-20,22-24,27-29,31-32,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB46379	TG(22:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,41,44,50,53,64H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,44-41-,53-50-
HMDB53365	TG(20:2n6/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,29-30,34,37,55H,4-6,8-9,11-13,20-22,27-28,31-33,35-36,38-54H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,37-34-
HMDB58073	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37,39-40,42,46,50,58,62,79-81,86H,5-20,22-24,27-29,31-32,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB56351	DG(22:4n6/0:0/22:4n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,45,48H,3-10,15-16,21-22,27-28,33-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB53364	TG(20:2n6/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,30,32,37,40,53H,4-6,8-9,11-13,20-22,27-29,31,33-36,38-39,41-52H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,32-30-,40-37-
HMDB58074	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,38-39,41,45,48,56,60,77-79,84H,5-20,22-24,27,29,31,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB56350	DG(22:2n6/0:0/22:6n3)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,29,31,35,37,45,48H,3-4,6,8-10,15-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-
HMDB58075	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35,37,39-40,42,46,50,58,62,79-81,86H,5-20,22-24,27,29,31,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,32-28-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB44182	TG(16:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-32,34-35,40-41,43-44,56H,4-15,17-18,20-24,29-30,33,36-39,42,45-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB48892	TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,40,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-
HMDB58076	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-37,39-40,42-43,46,50,58,62,79-81,86H,5-20,22-24,27-29,31-32,34,38,41,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,37-33-,40-39-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58077	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,40-41,43-44,47,51,59,63,80-82,87H,5-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB53360	TG(20:2n6/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,29-30,34,37,42,45,55H,4-13,20-22,27-28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,37-34-,45-42-
HMDB51446	TG(22:1(13Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,57H,4-13,15-16,18-22,24,28-56H2,1-3H3/b17-14-,26-23-,27-25-
HMDB58550	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-38,40-44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB40509	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 3'-O-b-D-Glucopyranoside	COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C=C1O	InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-12(32-14)8-2-3-9(24)13(4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3
HMDB40508	Masticadienonic acid	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C	InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+
HMDB45759	TG(20:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32-33,35,41,44,58H,4-6,8-9,11-15,17-18,20-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,28-25-,32-27-,35-33-,44-41-
HMDB45758	TG(20:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32-33,35,58H,4-6,8-9,11-15,17-18,20-24,26,29-31,34,36-57H2,1-3H3/b10-7-,19-16-,28-25-,32-27-,35-33-
HMDB46372	TG(22:0/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,41,44,64H,4-15,17-18,20-24,26-27,29-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,36-33-,44-41-
HMDB40501	YGM 5B	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	InChI=1S/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(67-42-38(58)35(55)32(52)28(14-45)65-42)36(56)33(53)29(66-43)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1
HMDB40500	Peonidin 3-sophoroside 5-glucoside	COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)39)30-18(7-13-15(49-30)5-12(38)6-16(13)50-32-28(46)25(43)22(40)19(8-35)52-32)51-34-31(27(45)24(42)21(10-37)54-34)55-33-29(47)26(44)23(41)20(9-36)53-33/h2-7,19-29,31-37,40-47H,8-10H2,1H3,(H-,38,39)/p+1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1
HMDB40503	Pinostrobin 5-glucoside	COC1=CC2=C(C(=O)CC(O2)C2=CC=CC=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3
HMDB40502	Cnidimol 7-glucoside	C\C(CO)=C/CC1=C(O)C2=C(OC(C)=CC2=O)C=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H26O10/c1-9(7-22)3-4-11-13(6-14-16(17(11)25)12(24)5-10(2)29-14)30-21-20(28)19(27)18(26)15(8-23)31-21/h3,5-6,15,18-23,25-28H,4,7-8H2,1-2H3/b9-3+
HMDB40505	Soyasaponin aa	CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1	InChI=1S/C53H82O21/c1-23-34(58)26(56)17-33(68-23)70-32-19-48(2,3)18-25-24-9-10-30-50(5)13-12-31(51(6,22-55)29(50)11-14-53(30,8)52(24,7)16-15-49(25,32)4)71-47-43(39(63)38(62)41(72-47)44(65)66)74-46-42(35(59)27(57)21-67-46)73-45-40(64)37(61)36(60)28(20-54)69-45/h9,25,27-33,35-43,45-47,54-55,57-64H,10-22H2,1-8H3,(H,65,66)
HMDB40504	Camellianin B	CC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C=C(O4)C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O14/c1-10-20(32)21(33)23(35)26(37-10)41-25-18(9-28)40-27(24(36)22(25)34)39-17-7-13(30)6-16-19(17)14(31)8-15(38-16)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3
HMDB40507	Natsudaidain 3-glucoside	COC1=CC=C(C=C1OC)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC	InChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3
HMDB40506	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',5,6,8-Tetra-Me ether, 3-O-b-D-glucopyranoside	COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2OC	InChI=1S/C25H28O14/c1-33-11-7-9(5-6-10(11)27)19-24(39-25-17(31)16(30)14(28)12(8-26)37-25)15(29)13-20(34-2)22(35-3)18(32)23(36-4)21(13)38-19/h5-7,12,14,16-17,25-28,30-32H,8H2,1-4H3
HMDB46228	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,52,55,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,55-52-
HMDB46229	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-
HMDB46897	TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-
HMDB46222	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,52,55,64H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,55-52-
HMDB46223	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-
HMDB46220	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB46221	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34,37,43,46,52,55,64H,4-7,9-10,12-15,18,21-24,27,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-,55-52-
HMDB46226	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39,41,44,50,53,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,53-50-
HMDB46227	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-6,9,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB46224	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,39,42,48,51,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,51-48-
HMDB46225	TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,39-40,42-43,48,51,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-,51-48-
HMDB46899	TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34,36,39,60H,4-7,10,13-16,19,22-25,28,30-33,35,37-38,40-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,39-36-
HMDB46898	TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,40-41,43-44,50,53,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB44898	TG(18:0/16:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-25,53H,4-12,14-15,17-20,23,26-52H2,1-3H3/b16-13-,24-21-,25-22-
HMDB51444	TG(22:1(13Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,32,57H,4-19,21-22,24,26,29-31,33-56H2,1-3H3/b23-20-,27-25-,32-28-
HMDB47028	TG(24:0/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB31664	Alnustone	O=C(CCC1=CC=CC=C1)\C=C/C=C/C1=CC=CC=C1	InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8-
HMDB31665	Daucic acid	OC1C=C(OC(C1O)C(O)=O)C(O)=O	InChI=1S/C7H8O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1-2,4-5,8-9H,(H,10,11)(H,12,13)
HMDB34294	1,3,11-Tridecatriene-5,7,9-triyne	C\C=C/C#CC#CC#C\C=C\C=C	InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5+
HMDB44022	TG(16:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,43,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41-42,44-61H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,43-40-
HMDB34295	Floionolic acid	OCCCCCCCCC(O)C(O)CCCCCCCC(O)=O	InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)
HMDB44023	TG(16:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,40,43,49,52,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,43-40-,52-49-
HMDB31660	Dibutyl sulfide	CCCCSCCCC	InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
HMDB44020	TG(16:0/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,38,60H,4-7,9-10,12-16,18-19,21-25,27,29-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,28-26-,38-35-
HMDB31661	3-Isovalidene-3alpha,4-dihydrophthalide	CC(C)C\C=C1/OC(=O)C2=CC=CCC12	InChI=1S/C13H16O2/c1-9(2)7-8-12-10-5-3-4-6-11(10)13(14)15-12/h3-4,6,8-10H,5,7H2,1-2H3/b12-8-
HMDB44021	TG(16:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,38,44,47,60H,4-7,9-10,12-16,18-19,21-25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,28-26-,38-35-,47-44-
HMDB47021	TG(24:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,34,38,41,46,49,60H,4-16,18-19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b20-17-,27-25-,34-32-,41-38-,49-46-
HMDB44026	TG(16:0/14:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-
HMDB34291	Sampangine	O=C1C2=CC=CC=C2C2=NC=CC3=C2C1=NC=C3	InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H
HMDB44027	TG(16:0/14:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-
HMDB58554	CL(18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB44024	TG(16:0/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-59(58-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)57-64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB44025	TG(16:0/14:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,46H,4-14,16-17,19-45H2,1-3H3/b18-15-
HMDB44281	TG(16:0/18:3(6Z,9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,40,43,58H,4-16,18-19,21-25,27-32,34-39,41-42,44-57H2,1-3H3/b20-17-,33-26-,43-40-
HMDB44028	TG(16:0/14:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-
HMDB39769	6-Octenal	C\C=C/CCCCC=O	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3/b3-2-
HMDB39768	5-Decenoic acid	CCCC\C=C\CCCC(O)=O	InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)/b6-5+
HMDB44029	TG(16:0/14:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-
HMDB44284	TG(16:0/18:3(6Z,9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26,28,34,37,52H,4-16,18,21,23-25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,22-19-,28-26-,37-34-
HMDB39761	1,1'-[1,13-Tridecanediylbis(oxy)]bisbenzene	C(CCCCCCOC1=CC=CC=C1)CCCCCCOC1=CC=CC=C1	InChI=1S/C25H36O2/c1(2-4-6-8-16-22-26-24-18-12-10-13-19-24)3-5-7-9-17-23-27-25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2
HMDB39760	1,1'-[1,12-Dodecanediylbis(oxy)]bisbenzene	C(CCCCCCOC1=CC=CC=C1)CCCCCOC1=CC=CC=C1	InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2
HMDB39763	Psidinin B	OC1CC2=C3OC45C(C6OC(=O)C4C(=C(O)C5=O)C4=C5C(=C(O)C(O)=C4O)C4=C(C=C(O)C(O)=C4O)C(=O)OC4COC(=O)C7=CC(O)=C(O)C(O)=C7C7=C(C=C(O)C(O)=C7O)C(=O)OC4C6OC5=O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C(O)=C1	InChI=1S/C55H36O31/c56-14-7-21-10(3-20(62)44(81-21)9-1-15(57)33(63)16(58)2-9)45-26(14)31-47-48-46-22(8-80-50(75)11-4-17(59)34(64)37(67)23(11)24-12(52(77)83-46)5-18(60)35(65)38(24)68)82-51(76)13-6-19(61)36(66)39(69)25(13)27-29(53(78)85-48)28(41(71)43(73)40(27)70)30-32(54(79)84-47)55(31,86-45)49(74)42(30)72/h1-2,4-7,20,22,31-32,44,46-48,56-73H,3,8H2
HMDB39762	1,1'-[1,11-Undecanediylbis(oxy)]bisbenzene	C(CCCCCOC1=CC=CC=C1)CCCCCOC1=CC=CC=C1	InChI=1S/C23H32O2/c1(2-4-6-14-20-24-22-16-10-8-11-17-22)3-5-7-15-21-25-23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2
HMDB39765	Pandamarilactone 1	CC1=C\C(OC1=O)=C\CCCN1CCCCC11OC(=O)C(C)=C1	InChI=1S/C18H23NO4/c1-13-11-15(22-16(13)20)7-3-5-9-19-10-6-4-8-18(19)12-14(2)17(21)23-18/h7,11-12H,3-6,8-10H2,1-2H3/b15-7-
HMDB39764	Psidinin A	OC1CC2=C(O)C=C3OC45C(C6OC(=O)C4C(=C(O)C5=O)C4=C5C(=C(O)C(O)=C4O)C4=C(C=C(O)C(O)=C4O)C(=O)OC4COC(=O)C7=CC(O)=C(O)C(O)=C7C7=C(C=C(O)C(O)=C7O)C(=O)OC4C6OC5=O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1	InChI=1S/C55H36O31/c56-14-7-21-26(45-10(14)3-20(62)44(82-45)9-1-15(57)33(63)16(58)2-9)31-47-48-46-22(8-80-50(75)11-4-17(59)34(64)37(67)23(11)24-12(52(77)83-46)5-18(60)35(65)38(24)68)81-51(76)13-6-19(61)36(66)39(69)25(13)27-29(53(78)85-48)28(41(71)43(73)40(27)70)30-32(54(79)84-47)55(31,86-21)49(74)42(30)72/h1-2,4-7,20,22,31-32,44,46-48,56-73H,3,8H2
HMDB39767	Pandamarilactone 32	CC1=C\C(OC1=O)=C/CCCN1CCCC2=C1CC(=C)C2=O	InChI=1S/C18H21NO3/c1-12-11-16-15(17(12)20)7-5-9-19(16)8-4-3-6-14-10-13(2)18(21)22-14/h6,10H,1,3-5,7-9,11H2,2H3/b14-6+
HMDB39766	Pandamarilactone 31	COC1(C)CC2=C(CCCN2CCC\C=C2\OC(=O)C(C)=C2)C1=O	InChI=1S/C19H25NO4/c1-13-11-14(24-18(13)22)7-4-5-9-20-10-6-8-15-16(20)12-19(2,23-3)17(15)21/h7,11H,4-6,8-10,12H2,1-3H3/b14-7+
HMDB31158	2-Methyl-4-pentenoic acid	CC(CC=C)C(O)=O	InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
HMDB31159	Garcinia acid	OC(C(O)=O)C(O)(CC(O)=O)C(O)=O	InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)
HMDB34308	Neomacrostemonoside D	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(COC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C53H86O24/c1-21-8-13-53(68-19-21)22(2)34-29(77-53)15-28-26-7-6-24-14-25(9-11-51(24,4)27(26)10-12-52(28,34)5)69-47-43(66)40(63)44(32(18-56)72-47)74-50-46(76-49-42(65)39(62)36(59)31(17-55)71-49)45(37(60)33(73-50)20-67-23(3)57)75-48-41(64)38(61)35(58)30(16-54)70-48/h21-22,24-50,54-56,58-66H,6-20H2,1-5H3
HMDB34309	Spirostan-3-ol; (3b,5b,25R)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-[a-L-arabinopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C44H72O17/c1-19-7-12-44(56-16-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)57-41-38(60-40-37(53)34(50)32(48)28(15-45)58-40)35(51)33(49)29(59-41)18-55-39-36(52)31(47)26(46)17-54-39/h19-41,45-53H,5-18H2,1-4H3
HMDB31152	(3Z,6Z)-3,6-Nonadienal	CC\C=C/C\C=C/CC=O	InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6-
HMDB31153	Diisobutylcarbinol	CC(C)CC(O)CC(C)C	InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
HMDB31150	Pyrophaeophorbide a	CCC1=C(C)C2=N\C\1=C/C1=C(C)C3=C(N1)\C(CC3=O)=C1/N=C(/C=C3\N/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O	InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-
HMDB31151	Dichloromaleimide	ClC1=C(Cl)C(=O)NC1=O	InChI=1S/C4HCl2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)
HMDB31156	4,7-Octadienoic acid, 9CI; (Z)-form, Et ester	CCOC(=O)CC\C=C\CC=C	InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6+
HMDB31157	2,3-Butanedithiol	CC(S)C(C)S	InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3
HMDB31154	Allitridin	C=CCSSSCC=C	InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
HMDB31155	1,1,2-Trichloro-1,2,2-trifluoroethane	FC(F)(Cl)C(F)(Cl)Cl	InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
HMDB44570	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,34,40,43,55H,4-6,8-9,11-15,17-18,21-22,24,26,29,32-33,35-39,41-42,44-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,34-31-,43-40-
HMDB44571	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,35,38-39,42,54H,4-6,8-9,11-15,18,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB44572	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,34,40,43,55H,4-6,8-9,11-13,15,18,20-22,24,28-30,32-33,35-39,41-42,44-54H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,34-31-,43-40-
HMDB44289	TG(16:0/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,40,43,58H,4-16,18-19,21-24,28-32,34-39,41-42,44-57H2,1-3H3/b20-17-,27-25-,33-26-,43-40-
HMDB44574	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB44575	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,37,43,46,58H,4-7,9-10,12-15,18,21-24,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,37-34-,46-43-
HMDB44576	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34,36-37,39,43,46,58H,4-7,9-10,12-15,18,21-24,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB44577	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34,36-37,39,43,45-46,48,58H,4-7,9-10,12-15,18,21-24,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB44578	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,39,42,54H,4-6,9,12-15,18,21-24,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,42-39-
HMDB44579	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,35,38-39,42,54H,4-6,9,12-15,18,21-24,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB42839	TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31,33-35,37,43,46,56H,4-6,9,12-15,18,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-
HMDB42838	TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31,33-35,37,56H,4-6,9,12-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-
HMDB42833	TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31,33-35,37,43,46,56H,4-7,9-10,12-15,18,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-
HMDB42832	TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31,33-35,37,56H,4-7,9-10,12-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-
HMDB42831	TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,33,35,56H,4-7,9-10,12-15,18,21-23,28-32,34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,35-33-
HMDB42830	TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,38,41,54H,4-7,9-10,12-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB42837	TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,38,41,54H,4-6,9,12-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB42836	TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,54H,4-6,9,12-15,18,21-23,28-29,34-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB42835	TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,33,36,52H,4-6,9,12-15,18,21-23,27,30,32,34-35,37-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-
HMDB42834	TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,52H,4-6,9,12-15,18,21-23,27,30,32-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-
HMDB14984	Flurandrenolide	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO	InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
HMDB14986	Levamisole	C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1	InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1
HMDB14987	Methylphenobarbital	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1	InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
HMDB14980	Oxazepam	OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2	InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
HMDB14982	Nalbuphine	O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5	InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
HMDB14983	Clofazimine	CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1	InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+
HMDB14988	Perphenazine	OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1	InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
HMDB14989	Dacarbazine	CN(C)N=NC1=C(N=CN1)C(N)=O	InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)
HMDB13518	PGP(18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,37-38,41H,3-12,17-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-13-,16-14-/t37-,38+/m0/s1
HMDB13519	PGP(18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O	InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39-40,43H,3-12,14,16-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13-/t39-,40+/m0/s1
HMDB13514	PGP(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,43-44,47H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1
HMDB13515	PGP(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,43-44,47H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-/t43-,44+/m0/s1
HMDB29948	Scleroglucan	OCC1OC(OCC2OC(OC3C(O)C(P)OC(CO)C3O)C(O)C(OC3OC(CO)C(O)C(OP)C3O)C2O)C(O)C(O)C1O	InChI=1S/C24H44O20P2/c25-1-5-9(28)13(32)14(33)21(38-5)37-4-8-12(31)18(42-23-16(35)20(44-46)11(30)6(2-26)39-23)15(34)22(40-8)43-19-10(29)7(3-27)41-24(45)17(19)36/h5-36H,1-4,45-46H2
HMDB29949	Pangamic acid	CC(C)N(C(C)C)C(N(C(C)C)C(C)C)C(=O)OCC(O)C(O)C(O)C(O)C(O)=O	InChI=1S/C20H40N2O8/c1-10(2)21(11(3)4)18(22(12(5)6)13(7)8)20(29)30-9-14(23)15(24)16(25)17(26)19(27)28/h10-18,23-26H,9H2,1-8H3,(H,27,28)
HMDB37659	Cinnamtannin II	[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C([H])=C(O[H])C(O[H])=C3[H])[C@]([H])(O[H])[C@@]2([H])C2=C3O[C@]([H])(C4=C([H])C([H])=C(O[H])C(O[H])=C4[H])[C@]([H])(O[H])[C@@]([H])(C4=C5O[C@]([H])(C6=C([H])C([H])=C(O[H])C(O[H])=C6[H])[C@]([H])(O[H])[C@@]([H])(C6=C7O[C@]([H])(C8=C([H])C([H])=C(O[H])C(O[H])=C8[H])[C@]([H])(O[H])[C@@]([H])(C8=C9O[C@]([H])(C%10=C([H])C([H])=C(O[H])C(O[H])=C%10[H])[C@]([H])(O[H])C([H])([H])C9=C(O[H])C([H])=C8O[H])C7=C(O[H])C([H])=C6O[H])C5=C(O[H])C([H])=C4O[H])C3=C(O[H])C([H])=C2O[H])=C1[H]	InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1
HMDB37658	Cinnamtannin III	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=C([C@@H]9[C@@H](O)[C@H](OC%10=C([C@@H]%11[C@@H](O)[C@H](OC%12=CC(O)=CC(O)=C%11%12)C%11=CC=C(O)C(O)=C%11)C(O)=CC(O)=C9%10)C9=CC=C(O)C(O)=C9)C(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1
HMDB29944	Ascorbalamic acid	OC1COC(O)(C1O)C1(O)CC(NC1=O)C(O)=O	InChI=1S/C9H13NO8/c11-4-2-18-9(17,5(4)12)8(16)1-3(6(13)14)10-7(8)15/h3-5,11-12,16-17H,1-2H2,(H,10,15)(H,13,14)
HMDB29945	Ascorbic acid	OCC(O)C1OC(=O)C(O)=C1O	InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2
HMDB37655	Proanthocyanidin A2	CC1=C(O)C(O)=CC(=C1)[C@@]12OC3=CC(O)=CC(O)=C3[C@@H]([C@H]1O)C1=C3O[C@@H]([C@H](O)CC3=C(O)C=C1O2)C1=CC=C(O)C(O)=C1	InChI=1S/C31H26O12/c1-11-4-13(6-20(37)27(11)39)31-30(40)26(24-19(36)7-14(32)8-22(24)42-31)25-23(43-31)10-17(34)15-9-21(38)28(41-29(15)25)12-2-3-16(33)18(35)5-12/h2-8,10,21,26,28,30,32-40H,9H2,1H3/t21-,26-,28-,30-,31+/m1/s1
HMDB37654	Ephedrannin A	OC1C2C3=C(O)C=C(O)C=C3OC1(OC1=CC(O)=C3C(=O)C(O)=C(OC3=C21)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C30H20O11/c31-14-5-1-12(2-6-14)27-26(37)25(36)22-18(35)11-20-23(28(22)39-27)24-21-17(34)9-16(33)10-19(21)40-30(41-20,29(24)38)13-3-7-15(32)8-4-13/h1-11,24,29,31-35,37-38H
HMDB29940	Alginic acid	OC1C(O)C(OC2C(O)C(O)C(OP)OC2C(O)=O)OC(C1P)C(O)=O	InChI=1S/C12H20O12P2/c13-1-3(15)12(24-26)22-6(9(17)18)5(1)21-11-4(16)2(14)8(25)7(23-11)10(19)20/h1-8,11-16H,25-26H2,(H,17,18)(H,19,20)
HMDB29941	Apiose, 9CI, 8CI; D-form	OCC(O)(CO)C(O)C=O.OCC1(O)COC(O)C1O	InChI=1S/2C5H10O5/c6-1-5(9)2-10-4(8)3(5)7;6-1-4(9)5(10,2-7)3-8/h3-4,6-9H,1-2H2;1,4,7-10H,2-3H2
HMDB29942	Arabinose	OC[C@@H](O)[C@@H](O)[C@H](O)C=O	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1
HMDB29943	Arbutin	OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2
HMDB55776	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB29959	Asiminenin A	CCCCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-33(39)35-26-27-36(43-35)34(40)25-22-19-16-13-12-14-17-20-23-32(38)29-31-28-30(2)42-37(31)41/h15,18,28,30,32-36,38-40H,3-14,16-17,19-27,29H2,1-2H3/b18-15-
HMDB59550	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,50-51,54-55,62-63,66-67,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-49,52-53,56-61,64-65,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,54-50-,55-51-,66-62-,67-63-/t84?,85-,86-/m1/s1
HMDB14361	Eletriptan	CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2	InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1
HMDB14362	Bethanidine	CN\C(NCC1=CC=CC=C1)=N/C	InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)
HMDB14363	Moxifloxacin	[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O	InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
HMDB14364	Oxyphenonium	CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1	InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1
HMDB14365	Nelfinavir	[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C	InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
HMDB14366	Isoetharine	CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1	InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
HMDB14367	Glimepiride	CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O	InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)
HMDB14368	Diflorasone	[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C	InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1
HMDB14369	Indinavir	CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12	InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
HMDB08558	PC(22:1(13Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h19-20,42H,6-18,21-41H2,1-5H3/b20-19-/t42-/m1/s1
HMDB08559	PC(22:1(13Z)/14:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13,15,19-20,42H,6-12,14,16-18,21-41H2,1-5H3/b15-13-,20-19-/t42-/m1/s1
HMDB08552	PC(22:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C54H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h52H,6-51H2,1-5H3/t52-/m1/s1
HMDB08553	PC(22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H106NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h20,22,52H,6-19,21,23-51H2,1-5H3/b22-20-/t52-/m1/s1
HMDB08550	PC(22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,50H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-49H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33-/t50-/m1/s1
HMDB08551	PC(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,39,41,50H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1
HMDB08556	PC(22:0/P-18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h17,19,40,43,47H,6-16,18,20-39,41-42,44-46H2,1-5H3/b19-17-,43-40-
HMDB08557	PC(22:0/P-18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,40,43,47H,6-20,22,24-39,41-42,44-46H2,1-5H3/b23-21-,43-40-
HMDB08554	PC(22:0/P-16:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h38,41,45H,6-37,39-40,42-44H2,1-5H3/b41-38-
HMDB08555	PC(22:0/P-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h40,43,47H,6-39,41-42,44-46H2,1-5H3/b43-40-
HMDB11859	Ganglioside GD3 (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C70H127N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h44-51,53-66,74-77,80-83,85-90H,5-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62?,63?,64-,65+,66-,69+,70-/m0/s1
HMDB11858	Ganglioside GD3 (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C68H123N3O29/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(78)42(71-50(82)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-93-63-57(87)56(86)59(49(38-75)95-63)96-64-58(88)62(54(84)47(36-73)94-64)100-68(66(91)92)34-45(80)52(70-41(4)77)61(99-68)55(85)48(37-74)97-67(65(89)90)33-44(79)51(69-40(3)76)60(98-67)53(83)46(81)35-72/h42-49,51-64,72-75,78-81,83-88H,5-39H2,1-4H3,(H,69,76)(H,70,77)(H,71,82)(H,89,90)(H,91,92)/t42-,43+,44-,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60?,61?,62-,63+,64-,67+,68-/m0/s1
HMDB11855	Ganglioside GD2 (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C84H149N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(100)87-54(55(96)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-112-79-71(106)70(105)73(61(47-91)114-79)116-80-72(107)77(74(62(48-92)115-80)117-78-53(41-50(3)93)66(101)68(103)59(45-89)113-78)121-84(82(110)111)43-57(98)65(86-52(5)95)76(120-84)69(104)60(46-90)118-83(81(108)109)42-56(97)64(85-51(4)94)75(119-83)67(102)58(99)44-88/h37,39,53-62,64-80,88-92,96-99,101-107H,6-36,38,40-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,100)(H,108,109)(H,110,111)/b39-37+/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,83-,84+/m1/s1
HMDB11854	Ganglioside GD2 (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H145N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(99)86-53(54(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-111-78-70(105)69(104)72(60(46-90)113-78)115-79-71(106)76(73(61(47-91)114-79)116-77-52(40-49(3)92)65(100)67(102)58(44-88)112-77)120-83(81(109)110)42-56(97)64(85-51(5)94)75(119-83)68(103)59(45-89)117-82(80(107)108)41-55(96)63(84-50(4)93)74(118-82)66(101)57(98)43-87/h20-21,36,38,52-61,63-79,87-91,95-98,100-106H,6-19,22-35,37,39-48H2,1-5H3,(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/b21-20-,38-36+/t52-,53+,54-,55+,56+,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73+,74?,75?,76-,77+,78-,79+,82-,83+/m1/s1
HMDB11857	Ganglioside GD3 (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C66H119N3O29/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-41(76)40(69-48(80)30-28-26-24-22-19-16-14-12-10-8-6-2)37-91-61-55(85)54(84)57(47(36-73)93-61)94-62-56(86)60(52(82)45(34-71)92-62)98-66(64(89)90)32-43(78)50(68-39(4)75)59(97-66)53(83)46(35-72)95-65(63(87)88)31-42(77)49(67-38(3)74)58(96-65)51(81)44(79)33-70/h40-47,49-62,70-73,76-79,81-86H,5-37H2,1-4H3,(H,67,74)(H,68,75)(H,69,80)(H,87,88)(H,89,90)/t40-,41+,42-,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58?,59?,60-,61+,62-,65+,66-/m0/s1
HMDB11856	Ganglioside GD3 (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C64H115N3O29/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(74)38(67-46(78)28-26-24-22-19-14-12-10-8-6-2)35-89-59-53(83)52(82)55(45(34-71)91-59)92-60-54(84)58(50(80)43(32-69)90-60)96-64(62(87)88)30-41(76)48(66-37(4)73)57(95-64)51(81)44(33-70)93-63(61(85)86)29-40(75)47(65-36(3)72)56(94-63)49(79)42(77)31-68/h38-45,47-60,68-71,74-77,79-84H,5-35H2,1-4H3,(H,65,72)(H,66,73)(H,67,78)(H,85,86)(H,87,88)/t38-,39+,40-,41-,42+,43+,44+,45+,47+,48+,49+,50-,51+,52+,53+,54+,55+,56?,57?,58-,59+,60-,63+,64-/m0/s1
HMDB11851	Ganglioside GD2 (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H155N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(103)90-57(58(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-115-82-74(109)73(108)76(64(50-94)117-82)119-83-75(110)80(77(65(51-95)118-83)120-81-56(44-53(3)96)69(104)71(106)62(48-92)116-81)124-87(85(113)114)46-60(101)68(89-55(5)98)79(123-87)72(107)63(49-93)121-86(84(111)112)45-59(100)67(88-54(4)97)78(122-86)70(105)61(102)47-91/h20-21,56-65,67-83,91-95,99-102,104-110H,6-19,22-52H2,1-5H3,(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/b21-20-/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78?,79?,80-,81+,82-,83+,86-,87+/m1/s1
HMDB11850	Ganglioside GD2 (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C87H157N3O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(103)90-57(58(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-115-82-74(109)73(108)76(64(50-94)117-82)119-83-75(110)80(77(65(51-95)118-83)120-81-56(44-53(3)96)69(104)71(106)62(48-92)116-81)124-87(85(113)114)46-60(101)68(89-55(5)98)79(123-87)72(107)63(49-93)121-86(84(111)112)45-59(100)67(88-54(4)97)78(122-86)70(105)61(102)47-91/h56-65,67-83,91-95,99-102,104-110H,6-52H2,1-5H3,(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78?,79?,80-,81+,82-,83+,86-,87+/m1/s1
HMDB11853	Ganglioside GD2 (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H137N3O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(95)82-49(50(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-107-74-66(101)65(100)68(56(42-86)109-74)111-75-67(102)72(69(57(43-87)110-75)112-73-48(36-45(3)88)61(96)63(98)54(40-84)108-73)116-79(77(105)106)38-52(93)60(81-47(5)90)71(115-79)64(99)55(41-85)113-78(76(103)104)37-51(92)59(80-46(4)89)70(114-78)62(97)53(94)39-83/h16,18,32,34,48-57,59-75,83-87,91-94,96-102H,6-15,17,19-31,33,35-44H2,1-5H3,(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b18-16-,34-32+/t48-,49+,50-,51+,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69+,70?,71?,72-,73+,74-,75+,78-,79+/m1/s1
HMDB11852	Ganglioside GD2 (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C75H131N3O34/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-46(87)45(78-54(91)31-29-27-25-23-20-17-15-13-11-9-7-2)40-103-70-62(97)61(96)64(52(38-82)105-70)107-71-63(98)68(65(53(39-83)106-71)108-69-44(32-41(3)84)57(92)59(94)50(36-80)104-69)112-75(73(101)102)34-48(89)56(77-43(5)86)67(111-75)60(95)51(37-81)109-74(72(99)100)33-47(88)55(76-42(4)85)66(110-74)58(93)49(90)35-79/h28,30,44-53,55-71,79-83,87-90,92-98H,6-27,29,31-40H2,1-5H3,(H,76,85)(H,77,86)(H,78,91)(H,99,100)(H,101,102)/b30-28+/t44-,45+,46-,47+,48+,49-,50-,51-,52-,53-,55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65+,66?,67?,68-,69+,70-,71+,74-,75+/m1/s1
HMDB56299	DG(18:3n6/0:0/20:4n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27-28,30,39,42H,3-10,15-16,20,23,26,29,31-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-
HMDB28705	Arginyl-Aspartate	NC(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C10H19N5O5/c11-5(4-7(16)17)8(18)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)
HMDB28704	Arginyl-Asparagine	NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C10H20N6O4/c11-5(4-7(12)17)8(18)16-6(9(19)20)2-1-3-15-10(13)14/h5-6H,1-4,11H2,(H2,12,17)(H,16,18)(H,19,20)(H4,13,14,15)
HMDB28707	Arginyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C11H22N6O4/c12-6(3-4-8(13)18)9(19)17-7(10(20)21)2-1-5-16-11(14)15/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)
HMDB28706	Arginyl-Cysteine	NC(CS)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C9H19N5O3S/c10-5(4-18)7(15)14-6(8(16)17)2-1-3-13-9(11)12/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)
HMDB28701	Alanyl-Gamma-glutamate	CC(NC(=O)C(N)CCC(O)=N)C(O)=O	InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)
HMDB28700	Alanyl-Valine	CC(C)C(N)C(=O)NC(C)C(O)=O	InChI=1S/C8H16N2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)
HMDB28703	Arginyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C12H26N8O3/c13-7(3-1-5-18-11(14)15)9(21)20-8(10(22)23)4-2-6-19-12(16)17/h7-8H,1-6,13H2,(H,20,21)(H,22,23)(H4,14,15,18)(H4,16,17,19)
HMDB28702	Arginyl-Alanine	CC(N)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C9H19N5O3/c1-5(10)7(15)14-6(8(16)17)3-2-4-13-9(11)12/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13)
HMDB28709	Arginyl-Glycine	NCC(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C8H17N5O3/c9-4-6(14)13-5(7(15)16)2-1-3-12-8(10)11/h5H,1-4,9H2,(H,13,14)(H,15,16)(H4,10,11,12)
HMDB28708	Arginyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C11H21N5O5/c12-6(3-4-8(17)18)9(19)16-7(10(20)21)2-1-5-15-11(13)14/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15)/p-1
HMDB34689	Glabric acid	CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(C(O)CC3(C)CCC12C)C(O)=O	InChI=1S/C30H46O5/c1-25(2)20-8-11-30(7)23(27(20,4)10-9-21(25)32)19(31)14-17-18-15-28(5,24(34)35)22(33)16-26(18,3)12-13-29(17,30)6/h14,18,20-23,32-33H,8-13,15-16H2,1-7H3,(H,34,35)
HMDB34688	2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one	OC1C(O)C2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1	InChI=1S/C19H14O3/c20-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18(21)19(17)22/h1-10,17,19-20,22H
HMDB41948	nephritogenoside	[H][C@@](O)(CO[C@]1([H])O[C@]([H])(COC2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C=O	InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18?/m0/s1
HMDB34681	3-Hydroxy-4-butanolide	OCC1OC(OC2COC(=O)C2)C(O)C(O)C1O	InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2
HMDB34683	(3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol	CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1CCC1C2(C)CCC2C(C)(C)C3(O)CCC12CO3	InChI=1S/C30H50O4/c1-24(2)21-11-14-27(6)22(29(21)16-17-30(24,32)33-18-29)9-8-19-20(10-13-26(19,27)5)28(7)15-12-23(34-28)25(3,4)31/h19-23,31-32H,8-18H2,1-7H3
HMDB34682	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 9CI; (E)-form, [a-L-Arabinofuranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;6)]-b-D-glucopyranosyl] ester	COC1=C(O)C=CC(\C=C/C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)=C1	InChI=1S/C27H38O18/c1-39-12-6-10(2-4-11(12)30)3-5-16(31)44-27-23(38)24(45-26-21(36)18(33)14(8-29)42-26)19(34)15(43-27)9-40-25-22(37)20(35)17(32)13(7-28)41-25/h2-6,13-15,17-30,32-38H,7-9H2,1H3/b5-3-
HMDB34685	Myricadiol	CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1	InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3
HMDB34684	Thalictroidine	CN1CCCCC1CC(=O)C1=CC=C(O)C=C1	InChI=1S/C14H19NO2/c1-15-9-3-2-4-12(15)10-14(17)11-5-7-13(16)8-6-11/h5-8,12,16H,2-4,9-10H2,1H3
HMDB34687	Resveratrol 4'-(6-galloylglucoside)	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O	InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1-
HMDB34686	(14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid	CC12CCCC(C)(C1CCC(=C)C2CCC(=C)C(O)CO)C(O)=O	InChI=1S/C20H32O4/c1-13-7-9-17-19(3,10-5-11-20(17,4)18(23)24)15(13)8-6-14(2)16(22)12-21/h15-17,21-22H,1-2,5-12H2,3-4H3,(H,23,24)
HMDB15579	Quinestrol	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3	InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1
HMDB15572	Acetic acid	CC([O-])=O	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
HMDB15573	Niflumic Acid	OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1	InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
HMDB15570	Fusidic Acid	O[C@@H]1CC[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@]2([H])[C@H](O)C[C@@]2([H])\C([C@@H](OC(=O)C)C[C@]32C)=C(/CCC=C(C)C)C(O)=O)[C@@H]1C	InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
HMDB15571	Oxitriptan	N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O	InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
HMDB15576	Thiotepa	S=P(N1CC1)(N1CC1)N1CC1	InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
HMDB15574	Latamoxef	[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C(O)=O)C1=CC=C(O)C=C1)OC)C(O)=O	InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1
HMDB15575	Trioxsalen	CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1	InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
HMDB07399	DG(20:1(11Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,41,44H,3-11,13,15-16,21-40H2,1-2H3/b14-12-,19-17-,20-18-/t41-/m0/s1
HMDB07398	DG(20:1(11Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41,44H,3-16,21-40H2,1-2H3/b19-17-,20-18-/t41-/m0/s1
HMDB07395	DG(20:1(11Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,39,42H,3-5,7,9-11,13,15-16,20,22-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-/t39-/m0/s1
HMDB07394	DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,26,28,39,42H,3-11,13,15-16,20,22-25,27,29-38H2,1-2H3/b14-12-,19-17-,21-18-,28-26-/t39-/m0/s1
HMDB07397	DG(20:1(11Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-/t41-/m0/s1
HMDB07396	DG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,26,28,39,42H,3-5,7,9-11,13,15-16,20,22-25,27,29-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,28-26-/t39-/m0/s1
HMDB07391	DG(20:1(11Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42H,3-13,15,18,20-38H2,1-2H3/b16-14-,19-17-/t39-/m0/s1
HMDB07390	DG(20:1(11Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,39,42H,3-16,18,20-38H2,1-2H3/b19-17-/t39-/m0/s1
HMDB07393	DG(20:1(11Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,39,42H,3-11,13,15-16,20,22-38H2,1-2H3/b14-12-,19-17-,21-18-/t39-/m0/s1
HMDB07392	DG(20:1(11Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17-19,21,39,42H,3-16,20,22-38H2,1-2H3/b19-17-,21-18-/t39-/m0/s1
HMDB12032	Ganglioside GT2 (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C96H170N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(116)100-59(60(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-131-89-80(123)79(122)82(68(51-105)133-89)135-90-81(124)87(83(69(52-106)134-90)136-88-58(43-54(3)107)74(117)76(119)65(48-102)132-88)142-96(93(129)130)46-63(114)73(99-57(6)110)86(141-96)78(121)67(50-104)138-95(92(127)128)45-62(113)72(98-56(5)109)85(140-95)77(120)66(49-103)137-94(91(125)126)44-61(112)71(97-55(4)108)84(139-94)75(118)64(115)47-101/h58-69,71-90,101-106,111-115,117-124H,7-53H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87-,88+,89-,90+,94-,95-,96+/m1/s1
HMDB12033	Ganglioside GT2 (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C96H168N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(116)100-59(60(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-131-89-80(123)79(122)82(68(51-105)133-89)135-90-81(124)87(83(69(52-106)134-90)136-88-58(43-54(3)107)74(117)76(119)65(48-102)132-88)142-96(93(129)130)46-63(114)73(99-57(6)110)86(141-96)78(121)67(50-104)138-95(92(127)128)45-62(113)72(98-56(5)109)85(140-95)77(120)66(49-103)137-94(91(125)126)44-61(112)71(97-55(4)108)84(139-94)75(118)64(115)47-101/h21-22,58-69,71-90,101-106,111-115,117-124H,7-20,23-53H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/b22-21-/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87-,88+,89-,90+,94-,95-,96+/m1/s1
HMDB12030	Ganglioside GT2 (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C94H164N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(114)98-57(58(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-129-87-78(121)77(120)80(66(49-103)131-87)133-88-79(122)85(81(67(50-104)132-88)134-86-56(41-52(3)105)72(115)74(117)63(46-100)130-86)140-94(91(127)128)44-61(112)71(97-55(6)108)84(139-94)76(119)65(48-102)136-93(90(125)126)43-60(111)70(96-54(5)107)83(138-93)75(118)64(47-101)135-92(89(123)124)42-59(110)69(95-53(4)106)82(137-92)73(116)62(113)45-99/h21-22,56-67,69-88,99-104,109-113,115-122H,7-20,23-51H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/b22-21-/t56-,57+,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85-,86+,87-,88+,92-,93-,94+/m1/s1
HMDB12031	Ganglioside GT2 (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C95H168N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-69(115)99-58(59(110)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)52-130-88-79(122)78(121)81(67(50-104)132-88)134-89-80(123)86(82(68(51-105)133-89)135-87-57(42-53(3)106)73(116)75(118)64(47-101)131-87)141-95(92(128)129)45-62(113)72(98-56(6)109)85(140-95)77(120)66(49-103)137-94(91(126)127)44-61(112)71(97-55(5)108)84(139-94)76(119)65(48-102)136-93(90(124)125)43-60(111)70(96-54(4)107)83(138-93)74(117)63(114)46-100/h57-68,70-89,100-105,110-114,116-123H,7-52H2,1-6H3,(H,96,107)(H,97,108)(H,98,109)(H,99,115)(H,124,125)(H,126,127)(H,128,129)/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,70-,71-,72-,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,93-,94-,95+/m1/s1
HMDB12036	Ganglioside GT2 (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C98H172N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(118)102-61(62(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-133-91-82(125)81(124)84(70(53-107)135-91)137-92-83(126)89(85(71(54-108)136-92)138-90-60(45-56(3)109)76(119)78(121)67(50-104)134-90)144-98(95(131)132)48-65(116)75(101-59(6)112)88(143-98)80(123)69(52-106)140-97(94(129)130)47-64(115)74(100-58(5)111)87(142-97)79(122)68(51-105)139-96(93(127)128)46-63(114)73(99-57(4)110)86(141-96)77(120)66(117)49-103/h21-22,60-71,73-92,103-108,113-117,119-126H,7-20,23-55H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,118)(H,127,128)(H,129,130)(H,131,132)/b22-21-/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89-,90+,91-,92+,96-,97-,98+/m1/s1
HMDB12037	Ganglioside GT2 (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C84H144N4O42/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-48(99)47(88-58(104)30-28-26-24-21-16-14-12-10-8-2)41-119-77-68(111)67(110)70(56(39-93)121-77)123-78-69(112)75(71(57(40-94)122-78)124-76-46(31-42(3)95)62(105)64(107)53(36-90)120-76)130-84(81(117)118)34-51(102)61(87-45(6)98)74(129-84)66(109)55(38-92)126-83(80(115)116)33-50(101)60(86-44(5)97)73(128-83)65(108)54(37-91)125-82(79(113)114)32-49(100)59(85-43(4)96)72(127-82)63(106)52(103)35-89/h27,29,46-57,59-78,89-94,99-103,105-112H,7-26,28,30-41H2,1-6H3,(H,85,96)(H,86,97)(H,87,98)(H,88,104)(H,113,114)(H,115,116)(H,117,118)/b29-27+/t46-,47+,48-,49+,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-,71+,72?,73?,74?,75-,76+,77-,78+,82-,83-,84+/m1/s1
HMDB12034	Ganglioside GT2 (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C97H172N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-71(117)101-60(61(112)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)54-132-90-81(124)80(123)83(69(52-106)134-90)136-91-82(125)88(84(70(53-107)135-91)137-89-59(44-55(3)108)75(118)77(120)66(49-103)133-89)143-97(94(130)131)47-64(115)74(100-58(6)111)87(142-97)79(122)68(51-105)139-96(93(128)129)46-63(114)73(99-57(5)110)86(141-96)78(121)67(50-104)138-95(92(126)127)45-62(113)72(98-56(4)109)85(140-95)76(119)65(116)48-102/h59-70,72-91,102-107,112-116,118-125H,7-54H2,1-6H3,(H,98,109)(H,99,110)(H,100,111)(H,101,117)(H,126,127)(H,128,129)(H,130,131)/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85?,86?,87?,88-,89+,90-,91+,95-,96-,97+/m1/s1
HMDB12035	Ganglioside GT2 (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C98H174N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(118)102-61(62(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-133-91-82(125)81(124)84(70(53-107)135-91)137-92-83(126)89(85(71(54-108)136-92)138-90-60(45-56(3)109)76(119)78(121)67(50-104)134-90)144-98(95(131)132)48-65(116)75(101-59(6)112)88(143-98)80(123)69(52-106)140-97(94(129)130)47-64(115)74(100-58(5)111)87(142-97)79(122)68(51-105)139-96(93(127)128)46-63(114)73(99-57(4)110)86(141-96)77(120)66(117)49-103/h60-71,73-92,103-108,113-117,119-126H,7-55H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,118)(H,127,128)(H,129,130)(H,131,132)/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89-,90+,91-,92+,96-,97-,98+/m1/s1
HMDB12038	Ganglioside GT2 (d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C86H148N4O42/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-50(101)49(90-60(106)32-30-28-26-24-21-18-16-14-12-10-8-2)43-121-79-70(113)69(112)72(58(41-95)123-79)125-80-71(114)77(73(59(42-96)124-80)126-78-48(33-44(3)97)64(107)66(109)55(38-92)122-78)132-86(83(119)120)36-53(104)63(89-47(6)100)76(131-86)68(111)57(40-94)128-85(82(117)118)35-52(103)62(88-46(5)99)75(130-85)67(110)56(39-93)127-84(81(115)116)34-51(102)61(87-45(4)98)74(129-84)65(108)54(105)37-91/h29,31,48-59,61-80,91-96,101-105,107-114H,7-28,30,32-43H2,1-6H3,(H,87,98)(H,88,99)(H,89,100)(H,90,106)(H,115,116)(H,117,118)(H,119,120)/b31-29+/t48-,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76?,77-,78+,79-,80+,84-,85-,86+/m1/s1
HMDB12039	Ganglioside GT2 (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C88H152N4O42/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(103)51(92-62(108)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-123-81-72(115)71(114)74(60(43-97)125-81)127-82-73(116)79(75(61(44-98)126-82)128-80-50(35-46(3)99)66(109)68(111)57(40-94)124-80)134-88(85(121)122)38-55(106)65(91-49(6)102)78(133-88)70(113)59(42-96)130-87(84(119)120)37-54(105)64(90-48(5)101)77(132-87)69(112)58(41-95)129-86(83(117)118)36-53(104)63(89-47(4)100)76(131-86)67(110)56(107)39-93/h31,33,50-61,63-82,93-98,103-107,109-116H,7-30,32,34-45H2,1-6H3,(H,89,100)(H,90,101)(H,91,102)(H,92,108)(H,117,118)(H,119,120)(H,121,122)/b33-31+/t50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75+,76?,77?,78?,79-,80+,81-,82+,86-,87-,88+/m1/s1
HMDB53152	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB53153	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-21,25-28,30-33,37-42,46,49,58H,4-15,22-24,29,34-36,43-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-,49-46-
HMDB53150	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-45,62H,4-6,8-9,11-15,22-24,30-31,37-39,46-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-
HMDB53151	TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,40-45,49,52,62H,4-6,8-9,11-15,22-24,30-31,37-39,46-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-
HMDB53156	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-15,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB53157	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-15,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB53154	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31-33,38-39,41-42,47,50,59H,4-13,15,20,22,24,29-30,34-37,40,43-46,48-49,51-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,42-39-,50-47-
HMDB53155	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-
HMDB53158	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-45,50,53,62H,4-15,22-24,30-31,37-39,46-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,53-50-
HMDB53159	TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-45,49-50,52-53,62H,4-15,22-24,30-31,37-39,46-48,51,54-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB56308	DG(18:3n6/0:0/22:6n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,41,44H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-
HMDB56309	DG(20:2n6/0:0/20:2n6)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-39(42)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,15-18,39,42H,3-8,13-14,19-38H2,1-2H3/b11-9-,12-10-,17-15-,18-16-
HMDB53488	TG(20:2n6/20:2n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14-19,23-28,60H,4-13,20-22,29-59H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-
HMDB05895	4-Hydroxyestrone	C[C@@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CCC2=O	InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11?,12?,14?,18-/m1/s1
HMDB05896	4-hydroxyestradiol	C[C@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CC[C@@H]2O	InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11?,12?,14?,16-,18-/m0/s1
HMDB05897	Dihydrogenistein	OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
HMDB53480	TG(20:2n6/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31,33,35,39,42,57H,4-6,8-9,11-13,15,20,22,24,29-30,32,34,36-38,40-41,43-56H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-
HMDB53481	TG(20:2n6/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31,33,35,39,41-42,44,57H,4-6,8-9,11-13,15,20,22,24,29-30,32,34,36-38,40,43,45-56H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-,44-41-
HMDB53482	TG(20:2n6/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31-33,37,40-41,44,59H,4-6,8-9,11-13,15,20,22,24,29-30,34-36,38-39,42-43,45-58H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,44-41-
HMDB53483	TG(20:2n6/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31-33,37,40-41,44,46,49,59H,4-6,8-9,11-13,15,20,22,24,29-30,34-36,38-39,42-43,45,47-48,50-58H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,44-41-,49-46-
HMDB53484	TG(20:2n6/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h13,16,18,21-22,25,27,30,37,40,56H,4-12,14-15,17,19-20,23-24,26,28-29,31-36,38-39,41-55H2,1-3H3/b16-13-,21-18-,25-22-,30-27-,40-37-
HMDB53485	TG(20:2n6/20:2n6/20:2n6)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-18,22-27,57H,4-12,19-21,28-56H2,1-3H3/b16-13-,17-14-,18-15-,25-22-,26-23-,27-24-
HMDB53486	TG(20:2n6/20:2n6/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14-19,23-28,34,36,58H,4-13,20-22,29-33,35,37-57H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,36-34-
HMDB53487	TG(20:2n6/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14-19,23-28,34,36,42,45,58H,4-13,20-22,29-33,35,37-41,43-44,46-57H2,1-3H3/b17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,36-34-,45-42-
HMDB49851	TG(18:1(9Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,30,54H,4-14,17,20-23,27-29,31-53H2,1-3H3/b18-15-,19-16-,26-24-,30-25-
HMDB32401	(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone	CC(SC1=C(C)OC=C1)C(C)=O	InChI=1S/C9H12O2S/c1-6(10)8(3)12-9-4-5-11-7(9)2/h4-5,8H,1-3H3
HMDB00628	Epitestosterone	[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
HMDB00629	Chondroitin	CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1OC1OC(=C[C@@H](O)[C@H]1O)C(O)=O	InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7-,8+,9-,10+,11-,13-,14?/m1/s1
HMDB32400	3-(5-Methyl-2-furyl)prop-2-enal	CC1=CC=C(O1)C=CC=O	InChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3/b3-2+
HMDB00624	D-Leucic acid	CC(C)C[C@@H](O)C(O)=O	InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
HMDB00625	Gluconic acid	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O	InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
HMDB00626	Deoxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
HMDB00620	Glutaconic acid	OC(=O)C\C=C\C(O)=O	InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
HMDB00621	D-Ribulose	OC[C@@H](O)[C@@H](O)C(=O)CO	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1
HMDB00622	Ethylmalonic acid	CCC(C(O)=O)C(O)=O	InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
HMDB00623	Dodecanedioic acid	OC(=O)CCCCCCCCCCC(O)=O	InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
HMDB06271	Zymosterol intermediate 2	[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
HMDB06270	Linoelaidic acid	CCCCC\C=C\C\C=C\CCCCCCCC(O)=O	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+
HMDB06273	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate	NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O	InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1
HMDB06272	5-Amino-2-oxopentanoic acid	NCCCC(=O)C(O)=O	InChI=1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)
HMDB06275	Dopamine 3-O-sulfate	NCCC1=CC(OS(O)(=O)=O)=C(O)C=C1	InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
HMDB06278	5a-Dihydrotestosterone sulfate	[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C	InChI=1S/C19H30O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3,(H,21,22,23)/t12-,14-,15-,16-,17-,18-,19-/m0/s1
HMDB39456	Dipiperamide A	O=C(\C=C\C1C(C(\C=C\C(=O)N2CCCCC2)C1C1=CC=C2OCOC2=C1)C1=CC2=C(OCO2)C=C1)N1CCCCC1	InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)13-9-25-33(23-7-11-27-29(19-23)41-21-39-27)26(10-14-32(38)36-17-5-2-6-18-36)34(25)24-8-12-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,33-34H,1-6,15-18,21-22H2/b13-9+,14-10+
HMDB55657	TG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-41,43-44,58H,4-6,13-15,22-24,30-31,37-39,42,45-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-
HMDB52684	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-35,37-38,44,47,59H,4-15,18,22-23,27,31-32,36,39-43,45-46,48-58H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,47-44-
HMDB52687	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,46,49,61H,4-15,18,22-23,27,31,33,36,38,41,43-45,47-48,50-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-
HMDB52686	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,35,37,40,46,49,61H,4-15,18,22-23,27,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,40-37-,49-46-
HMDB52681	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28-30,32-34,37,43,46,58H,4-15,17-18,22,26-27,31,35-36,38-42,44-45,47-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-29-,33-30-,37-34-,46-43-
HMDB39455	Macaridine	ON1CC(CC2=CC=CC=C2)=C(C=O)C=C1	InChI=1S/C13H13NO2/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2
HMDB52683	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14,16-17,19,21,23-26,28,30,33-34,37,43,46,58H,4-13,15,18,20,22,27,29,31-32,35-36,38-42,44-45,47-57H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,33-30-,37-34-,46-43-
HMDB52682	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-33,36-37,40,42,45,57H,4-15,17,22,24,26,30,34-35,38-39,41,43-44,46-56H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,40-37-,45-42-
HMDB32406	5-Methylhexyl acetate	CC(C)CCCCOC(C)=O	InChI=1S/C9H18O2/c1-8(2)6-4-5-7-11-9(3)10/h8H,4-7H2,1-3H3
HMDB52689	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,36,42,45,57H,4-8,10-11,13-15,17,22,24,26,30,34-35,37-41,43-44,46-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,36-33-,45-42-
HMDB52688	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-35,37,39-40,42,46,48-49,51,61H,4-15,18,22-23,27,31,33,36,38,41,43-45,47,50,52-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-,51-48-
HMDB55659	TG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-6,13-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-
HMDB55658	TG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-6,13-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-
HMDB52359	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,37-38,43-44,46-47,64H,4-7,10,13-16,19,22-24,30-33,35-36,39-42,45,48-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-
HMDB52358	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,37-38,43,46,64H,4-7,10,13-16,19,22-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-
HMDB52353	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39-40,43,45,48,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-
HMDB52352	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,35,38,44,47,65H,4-7,9-10,12-14,16,19,21-23,30-34,36-37,39-43,45-46,48-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,38-35-,47-44-
HMDB52351	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,37-38,43-44,46-47,64H,4-7,9-10,12-16,19,22-24,30-33,35-36,39-42,45,48-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-
HMDB52350	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35,38-39,44,47,65H,4-7,9-10,12-16,18-19,22-23,27,31-34,36-37,40-43,45-46,48-64H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,38-35-,39-30-,47-44-
HMDB52357	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,57,68H,4-8,10-11,13-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-
HMDB52356	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,68H,4-8,10-11,13-16,19,22-24,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-
HMDB52355	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,37,41,47,50,68H,4-8,10-11,13-16,19,22-24,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-
HMDB52354	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,39-40,43,45,48-49,52,66H,4-7,9-10,12-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB57493	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,29,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57492	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,38,42,50,54,73-75,80H,5-20,22-24,29,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB57491	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3/h25-32,35,37,72-74,79H,5-24,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB57490	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25,27-29,31-32,34,36,71-73,78H,5-24,26,30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB57497	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h27-28,31-33,35,71-73,78H,5-26,29-30,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-/t71?,72-,73-/m1/s1
HMDB57496	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-27,30-31,33-34,69-71,76H,5-25,28-29,32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,34-33-/t69?,70-,71-/m1/s1
HMDB57495	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57494	CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB57499	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h26-28,30-33,35,71-73,78H,5-25,29,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,31-27-,32-28-,35-33-/t71?,72-,73-/m1/s1
HMDB57498	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H138O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-28,30-34,69-71,76H,5-25,29,35-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,32-28-,34-33-/t69?,70-,71-/m1/s1
HMDB50150	TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-15,18,21-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB58458	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB55030	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,37,40,46,49,59H,4-8,10-11,13-15,17,22,24,26,30,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,49-46-
HMDB48538	TG(16:1(9Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-
HMDB10308	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,40,42-44,46,48,50-52,55,58,60,62,64,81-83,88H,5-8,10-12,14-20,29-32,39,41,45,47,49,53-54,56-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,55-51-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB10309	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,11,13,15,21-28,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10,12,14,16-20,29-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB48539	TG(16:1(9Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,37,40,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-,40-37-
HMDB10302	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21,23,25,27-28,32-35,37-38,40,42-43,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,22,24,26,29-31,36,39,41,44-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,27-23-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB10303	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21,23,25,27,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,22,24,26,28-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,27-23-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB10300	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-37,39-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,29-32,38,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10301	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,40,42-44,48,52,60,64,81-83,88H,5-8,10-12,14-20,29-32,39,41,45-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB10306	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-38,40,42-44,46,48,50,52,60,64,81-83,88H,5-8,10-12,14-20,24,28-32,39,41,45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB10307	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,40,42-44,46,48,50,52,60,64,81-83,88H,5-8,10-12,14-20,29-32,39,41,45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB10304	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21,23-25,27-28,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,22,26,29-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB10305	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-35,37-38,40,42-43,46,48,50,52,60,64,81-83,88H,5-8,10-12,14-20,24,29-31,36,39,41,44-45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB07636	DG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,26,28,32,34,43,46H,3-5,7,9-11,13,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1
HMDB07637	DG(22:1(13Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-/t45-/m0/s1
HMDB07634	DG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,26,28,32,34,43,46H,3-11,13,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1
HMDB07635	DG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,26,28,43,46H,3-5,7,9-11,13,15-16,21-25,27,29-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,28-26-/t43-/m0/s1
HMDB07632	DG(22:1(13Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17-20,26,28,32,34,43,46H,3-16,21-25,27,29-31,33,35-42H2,1-2H3/b19-17-,20-18-,28-26-,34-32-/t43-/m0/s1
HMDB07633	DG(22:1(13Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,26,28,43,46H,3-11,13,15-16,21-25,27,29-42H2,1-2H3/b14-12-,19-17-,20-18-,28-26-/t43-/m0/s1
HMDB07630	DG(22:1(13Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17-20,43,46H,3-16,21-42H2,1-2H3/b19-17-,20-18-/t43-/m0/s1
HMDB07631	DG(22:1(13Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,43,46H,3-11,13,15-16,21-42H2,1-2H3/b14-12-,19-17-,20-18-/t43-/m0/s1
HMDB54214	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-37,42,45,58H,4-8,10-11,13-15,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB54215	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-34,36-38,41-42,45,58H,4-8,10-11,13-15,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB54216	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,44,47,60H,4-6,8-9,11-15,22-24,31-33,40-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-
HMDB12794	4-Oxoretinal	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCC(=O)C1(C)C)=C/C=O	InChI=1S/C20H26O2/c1-15(7-6-8-16(2)13-14-21)9-11-18-17(3)10-12-19(22)20(18,4)5/h6-9,11,13-14H,10,12H2,1-5H3/b8-6+,11-9+,15-7+,16-13+
HMDB54210	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-44,46-47,60H,4-15,22-24,31-33,40-42,45,48-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB54211	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,38-39,41,45,48,62H,4-15,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB07638	DG(22:1(13Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-/t45-/m0/s1
HMDB07639	DG(22:1(13Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45,48H,3-11,13,15-16,21-44H2,1-2H3/b14-12-,19-17-,20-18-/t45-/m0/s1
HMDB02579	Glycochenodeoxycholic acid 3-glucuronide	[H][C@@]12CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C32H51NO11/c1-15(4-7-22(35)33-14-23(36)37)18-5-6-19-24-20(9-11-32(18,19)3)31(2)10-8-17(12-16(31)13-21(24)34)43-30-27(40)25(38)26(39)28(44-30)29(41)42/h15-21,24-28,30,34,38-40H,4-14H2,1-3H3,(H,33,35)(H,36,37)(H,41,42)/t15-,16+,17-,18?,19+,20+,21-,24+,25+,26+,27-,28+,30-,31+,32-/m1/s1
HMDB02577	Cholic acid glucuronide	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(O)=O	InChI=1S/C30H48O11/c1-13(4-7-21(33)34)16-5-6-17-22-18(12-20(32)30(16,17)3)29(2)9-8-15(10-14(29)11-19(22)31)40-28-25(37)23(35)24(36)26(41-28)27(38)39/h13-20,22-26,28,31-32,35-37H,4-12H2,1-3H3,(H,33,34)(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
HMDB53970	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-37,43,46,58H,4-7,10,13-15,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB53971	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-38,41,43,46,58H,4-7,10,13-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB53972	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,45,48,60H,4-6,8,11,13-15,22-24,31-33,40-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB53973	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43,45-46,48,60H,4-6,8,11,13-15,22-24,31-33,40-42,44,47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB53974	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,47,50,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44-46,48-49,51-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-
HMDB53975	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB41618	Diisobutyl adipate	CC(C)COC(=O)CCCCC(=O)OCC(C)C	InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
HMDB41619	Hexanedioic acid, 9CI; Dioctyl ester	CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC	InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
HMDB41616	Propyl levulinate	CCCOC(=O)CCC(C)=O	InChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3
HMDB41617	Chavicol O-beta-glucopyranoside	OCC1OC(OC2=CC=C(CC=C)C=C2)C(O)C(O)C1O	InChI=1S/C15H20O6/c1-2-3-9-4-6-10(7-5-9)20-15-14(19)13(18)12(17)11(8-16)21-15/h2,4-7,11-19H,1,3,8H2
HMDB41614	Dipropyl hexanedioate	CCCOC(=O)CCCCC(=O)OCCC	InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
HMDB41615	Phenethyl isoamyl ether	CC(C)CCOCCC1=CC=CC=C1	InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
HMDB41612	Phenyl butyrate	CCCC(=O)OC1=CC=CC=C1	InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
HMDB41613	Bis(1-methylethyl) hexanedioate	CC(C)OC(=O)CCCCC(=O)OC(C)C	InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
HMDB41610	(2,2-Diethoxyethyl)benzene	CCOC(CC1=CC=CC=C1)OCC	InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
HMDB41611	3-(2-Furanyl)-2-propenoic acid, 9CI; (E)-form, Et ester	CCOC(=O)\C=C/C1=CC=CO1	InChI=1S/C9H10O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-7H,2H2,1H3/b6-5-
HMDB49443	TG(18:1(11Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,13,16-17,20-22,24-26,29,55H,4-7,9-10,12,14-15,18-19,23,27-28,30-54H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,29-26-
HMDB49442	TG(18:1(11Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,31-32,37,40,46,49,59H,4-13,15,18,20,22,27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,40-37-,49-46-
HMDB49441	TG(18:1(11Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,31-32,37,40,59H,4-13,15,18,20,22,27,29-30,33-36,38-39,41-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,40-37-
HMDB49440	TG(18:1(11Z)/20:2n6/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,59H,4-13,15,18,20,22,27,29-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-
HMDB49447	TG(18:1(11Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,31-32,37,40,59H,4-6,8-9,11-13,15,18,20,22,27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,40-37-
HMDB49446	TG(18:1(11Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,33,35,41,44,57H,4-6,8-9,11-13,15,18,20,22,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,35-33-,44-41-
HMDB49445	TG(18:1(11Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,33,35,57H,4-6,8-9,11-13,15,18,20,22,27,29-32,34,36-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,35-33-
HMDB49444	TG(18:1(11Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,13,16-17,20-22,24-26,29,35,38,55H,4-7,9-10,12,14-15,18-19,23,27-28,30-34,36-37,39-54H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,29-26-,38-35-
HMDB48534	TG(16:1(9Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,42,45,58H,4-16,18-19,22-23,25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b20-17-,24-21-,28-26-,36-33-,45-42-
HMDB49449	TG(18:1(11Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,21-22,24-25,56H,4-12,14-15,17-20,23,26-55H2,1-3H3/b16-13-,24-21-,25-22-
HMDB49448	TG(18:1(11Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,31-32,37,40,46,49,59H,4-6,8-9,11-13,15,18,20,22,27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,40-37-,49-46-
HMDB48535	TG(16:1(9Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,60H,4-15,17-18,20,22-23,26,28-59H2,1-3H3/b19-16-,24-21-,27-25-
HMDB12867	9'-Carboxy-alpha-tocotrienol	C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C24H34O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h10-11,25H,7-9,12-14H2,1-6H3,(H,26,27)/b15-10+,16-11+/t24-/m1/s1
HMDB12866	9'-Carboxy-alpha-chromanol	C[C@@H](CCCC(C)C(O)=O)CCC[C@@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C24H38O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h15-16,25H,7-14H2,1-6H3,(H,26,27)/t15-,16?,24-/m0/s1
HMDB12869	9'-carboxy-gamma-tocotrienol	C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C23H32O4/c1-15(8-6-10-16(2)22(25)26)9-7-12-23(5)13-11-19-14-20(24)17(3)18(4)21(19)27-23/h9-10,14,24H,6-8,11-13H2,1-5H3,(H,25,26)/b15-9+,16-10+/t23-/m1/s1
HMDB12868	9'-Carboxy-gamma-chromanol	C[C@@H](CCC[C@@H](C)C(O)=O)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C23H36O4/c1-15(8-6-10-16(2)22(25)26)9-7-12-23(5)13-11-19-14-20(24)17(3)18(4)21(19)27-23/h14-16,24H,6-13H2,1-5H3,(H,25,26)/t15-,16+,23+/m0/s1
HMDB50449	TG(20:1(11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-
HMDB50448	TG(20:1(11Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,37,40,54H,4-6,8-9,11-14,17,20-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,40-37-
HMDB50445	TG(20:1(11Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,52H,4-7,9-10,12-14,16,19,21-23,27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-
HMDB50444	TG(20:1(11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,43,46,56H,4-14,17,20-23,28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,46-43-
HMDB50447	TG(20:1(11Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,54H,4-6,8-9,11-14,17,20-23,28-29,31,33-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-
HMDB50446	TG(20:1(11Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,33,35,52H,4-7,9-10,12-14,16,19,21-23,27,29-32,34,36-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,35-33-
HMDB50441	TG(20:1(11Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,37,40,54H,4-14,17,20-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,40-37-
HMDB50440	TG(20:1(11Z)/14:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,54H,4-14,17,20-23,28-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-
HMDB50443	TG(20:1(11Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,56H,4-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-
HMDB50442	TG(20:1(11Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,56H,4-14,17,20-23,28-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-
HMDB52328	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,38,40-41,43,64H,4-7,10,13-16,19,22-24,31-37,39,42,44-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-
HMDB00369	3b,17b-Dihydroxyetiocholane	C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17-,18-,19-/m0/s1
HMDB00368	2(R)-Hydroxyadipic acid	O[C@H](CCCC(O)=O)C(O)=O	InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1
HMDB52329	TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,38,40-41,43,47,50,64H,4-7,10,13-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB00361	3b,7a-Dihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1
HMDB00360	2,4-Dihydroxybutanoic acid	OCCC(O)C(O)=O	InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
HMDB00363	17a-Hydroxypregnenolone	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
HMDB00362	2-Phosphoglyceric acid	OCC(OP(O)(O)=O)C(O)=O	InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
HMDB00365	Epiandrosterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](O)CC[C@]12C	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12?,13-,14-,15-,16-,18-,19-/m0/s1
HMDB00364	3a,6a,7b-Trihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@H](O)[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22-,23-,24-/m1/s1
HMDB00367	3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1
HMDB00366	2-Deoxyribonic acid	OC[C@@H](O)[C@@H](O)CC(O)=O	InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1
HMDB55114	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-45,51,54,64H,4-6,8,11,13-15,22-24,31-32,35,38-39,46-50,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,54-51-
HMDB03625	Mercury	[Hg++]	InChI=1S/Hg/q+2
HMDB32138	3,4-Dimethoxybenzaldehyde	COC1=C(OC)C=C(C=O)C=C1	InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
HMDB03626	(R)-N-Methylsalsolinol	C[C@H]1N(C)CCC2=CC(O)=C(O)C=C12	InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m1/s1
HMDB32135	2-Methoxy-4-propylphenol	CCCC1=CC(OC)=C(O)C=C1	InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3
HMDB32134	2-Methyl-6-oxo-2,4-heptadienoic acid; (2E,4E)-form, [b-D-Glucopyranosyl-(1-&gt;6)-b-D-glucopyranosyl] ester	CC(=O)\C=C\C=C(/C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H30O13/c1-8(4-3-5-9(2)22)18(29)33-20-17(28)15(26)13(24)11(32-20)7-30-19-16(27)14(25)12(23)10(6-21)31-19/h3-5,10-17,19-21,23-28H,6-7H2,1-2H3/b5-3+,8-4+
HMDB32137	2,6-Dimethyl-1,4-benzenediol	CC1=CC(O)=CC(C)=C1O	InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3
HMDB32136	2-Methoxy-4-methylphenol	COC1=C(O)C=CC(C)=C1	InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
HMDB32131	3-(3,5-Dihydroxyphenyl)-2-propenoic acid	OC(=O)\C=C/C1=CC(O)=CC(O)=C1	InChI=1S/C9H8O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5,10-11H,(H,12,13)/b2-1-
HMDB32130	3',4'-Dihydroxychalcone	OC1=C(O)C=C(C=C1)C(=O)\C=C\C1=CC=CC=C1	InChI=1S/C15H12O3/c16-13(8-6-11-4-2-1-3-5-11)12-7-9-14(17)15(18)10-12/h1-10,17-18H/b8-6+
HMDB32133	2,2'-Bis(4-hydroxyphenyl)propane	CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
HMDB32132	2-Isopropyl-1,4-benzenediol	CC(C)C1=C(O)C=CC(O)=C1	InChI=1S/C9H12O2/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,10-11H,1-2H3
HMDB47513	TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,34,37-38,43,46,64H,4-16,18-19,21-25,28,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b20-17-,29-26-,37-34-,38-27-,46-43-
HMDB47512	TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,37,43,46,64H,4-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,24-21-,29-26-,37-34-,46-43-
HMDB47511	TG(24:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,41,44,62H,4-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b20-17-,24-21-,28-26-,36-33-,44-41-
HMDB47510	TG(24:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,39,42,60H,4-14,16,19,21-24,26,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b18-15-,20-17-,27-25-,35-32-,42-39-
HMDB47517	TG(24:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,43,49,52,70H,4-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b21-18-,28-25-,30-27-,43-38-,52-49-
HMDB47516	TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,37,41,47,50,68H,4-17,19-20,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b21-18-,29-26-,30-27-,41-37-,50-47-
HMDB47515	TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-16,18-19,21-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b20-17-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB47514	TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,39,45,48,66H,4-16,18-19,21-25,28,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,29-26-,30-27-,39-35-,48-45-
HMDB55110	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-39,41,47,50,60H,4-7,10,13-15,22-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-
HMDB47519	TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,37-38,43-44,46-47,64H,4-16,19,22-25,28,30-33,35-36,39-42,45,48-63H2,1-3H3/b20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-
HMDB47518	TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,38-39,44,47,65H,4-16,18-19,22-23,25,27-28,31-34,36-37,40-43,45-46,48-64H2,1-3H3/b20-17-,24-21-,29-26-,38-35-,39-30-,47-44-
HMDB55111	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-41,43,47,50,60H,4-7,10,13-15,22-24,30,32,35,37,42,44-46,48-49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,50-47-
HMDB55112	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-7,10,13-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-
HMDB55113	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-7,10,13-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB45530	TG(20:0/16:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB32683	Arsenocholine	C[As+](C)(C)CCO	InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
HMDB32682	10-Hydroxy-16-hentriacontanone	CCCCCCCCCCCCCCCC(=O)CCCCCC(O)CCCCCCCCC	InChI=1S/C31H62O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-31(33)29-25-21-24-28-30(32)26-22-19-17-10-8-6-4-2/h30,32H,3-29H2,1-2H3
HMDB32681	10alpha-4,5-Seco-11-eudesmene-4,5-dione	CC(=O)CCCC1(C)CCC(CC1=O)C(C)=C	InChI=1S/C15H24O2/c1-11(2)13-7-9-15(4,14(17)10-13)8-5-6-12(3)16/h13H,1,5-10H2,2-4H3
HMDB32680	Neoporrigenin B	CC1C2C(CC3C4CC(O)C5CC(O)C(=O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3
HMDB32686	beta-D-3-[5-Deoxy-5-(dimethylarsinyl)ribofuranosyloxy]-2-hydroxy-1-propanesulfonic acid	C[As](C)(=O)CC1OC(OCC(O)COS(O)=O)C(O)C1O	InChI=1S/C10H21AsO9S/c1-11(2,15)3-7-8(13)9(14)10(20-7)18-4-6(12)5-19-21(16)17/h6-10,12-14H,3-5H2,1-2H3,(H,16,17)
HMDB32685	(14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide	CC1=C(C)C(=O)OC(C1)C1(C)OC23CCC1(O)C2(C)CCC1C3CC=C2C=CCC(=O)C12C	InChI=1S/C28H36O5/c1-16-15-22(32-23(30)17(16)2)26(5)28(31)14-13-27(33-26)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31H,8,10-15H2,1-5H3
HMDB32684	Lactyltrimethylammonium betaine	C[As+](C)(C)CC(O)C([O-])=O	InChI=1S/C6H13AsO3/c1-7(2,3)4-5(8)6(9)10/h5,8H,4H2,1-3H3
HMDB32689	Annuionone C	CC(O)\C=C\C12OC1(C)CC(=O)CC2(C)C	InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9,14H,7-8H2,1-4H3/b6-5+
HMDB32688	(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne	CS\C=C/C#CCC1=CC=CC=C1	InChI=1S/C12H12S/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h2,4-5,7-9,11H,10H2,1H3/b11-7-
HMDB54249	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44,46,49,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,45,47-48,50-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-
HMDB54247	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,38-39,42,44,47,60H,4-8,10-11,13-15,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB54243	TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,32,35-37,39-41,44-46,48-49,62H,4-15,22-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB31798	()-Leptophos	COP(=S)(OC1=C(Cl)C=C(Br)C(Cl)=C1)C1=CC=CC=C1	InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3
HMDB31799	Malonoben	CC(C)(C)C1=CC(C=C(C#N)C#N)=CC(=C1O)C(C)(C)C	InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3
HMDB31794	Enilconazole	ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C	InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
HMDB31795	Iprodione	CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1	InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
HMDB31796	Isofenphos	CCOP(=S)(NC(C)C)OC1=C(C=CC=C1)C(=O)OC(C)C	InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
HMDB31797	2-Isopropylphenyl methylcarbamate	CNC(=O)OC1=C(C=CC=C1)C(C)C	InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
HMDB31790	Hydroxytriphenylstannane	O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1
HMDB31791	Fenvalerate	CC(C)C(C(=O)OC(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1)C1=CC=C(Cl)C=C1	InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
HMDB31792	Folpet	ClC(Cl)(Cl)SN1C(=O)C2=CC=CC=C2C1=O	InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
HMDB31793	Heptenophos	COP(=O)(OC)OC1=C(Cl)C2C=CCC12	InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3
HMDB35488	Spirostane-3,5,6-triol; (3b,5b,6a,25S)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	CC1C2C(CC3C4CC(O)C5(O)CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H64O14/c1-17-6-11-39(48-16-17)18(2)27-24(53-39)13-23-21-12-26(41)38(47)14-20(7-10-37(38,5)22(21)8-9-36(23,27)4)50-35-32(46)30(44)33(25(15-40)51-35)52-34-31(45)29(43)28(42)19(3)49-34/h17-35,40-47H,6-16H2,1-5H3
HMDB35489	Linalool 3,6-oxide primeveroside	CC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC(C)(O1)C=C	InChI=1S/C21H36O11/c1-5-21(4)7-6-12(31-21)20(2,3)32-19-17(27)15(25)14(24)11(30-19)9-29-18-16(26)13(23)10(22)8-28-18/h5,10-19,22-27H,1,6-9H2,2-4H3
HMDB35484	3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acid	COC1=CC(\C=C\C(O)=O)=CC(O)=C1O	InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+
HMDB35485	Furostane-3,6,22,26-tetrol; (3b,5a,6b,22a,25R)-form, 22-Me ether, 3-O-[b-D-glucopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucopyranosyl-(1-&gt;4)-b-D-galactopyranoside], 26-O-b-D-glucopyranoside	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C57H96O29/c1-21(19-76-50-44(72)40(68)37(65)31(15-58)79-50)6-11-57(75-5)22(2)35-30(86-57)14-26-24-13-28(62)27-12-23(7-9-55(27,3)25(24)8-10-56(26,35)4)78-52-46(74)42(70)47(34(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)32(16-59)80-53)48(39(67)33(17-60)81-54)84-51-43(71)36(64)29(63)20-77-51/h21-54,58-74H,6-20H2,1-5H3
HMDB35486	6-Caffeoylsucrose	OCC1OC(CO)(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C21H28O14/c22-6-12-16(28)19(31)21(8-23,34-12)35-20-18(30)17(29)15(27)13(33-20)7-32-14(26)4-2-9-1-3-10(24)11(25)5-9/h1-5,12-13,15-20,22-25,27-31H,6-8H2/b4-2+
HMDB35487	(1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-28(27,5)10-9-19-26(3,16-31)22(33)21(32)23(34)29(19,20)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)
HMDB35480	2-Amino-4,8-octadecadiene-1,3-diol; (2S,3R,4E,8E)-form, N-Hexadecanoyl	CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C/CC\C=C/CCCCCCCCC	InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19-,29-27-
HMDB35481	Tuberoside A (Allium tuberosum)	CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H74O18/c1-18(17-57-41-38(55)36(53)33(50)29(15-46)61-41)6-9-26-19(2)31-28(59-26)13-24-22-8-7-21-12-27(25(48)14-45(21,5)23(22)10-11-44(24,31)4)60-43-40(37(54)34(51)30(16-47)62-43)63-42-39(56)35(52)32(49)20(3)58-42/h18,20-25,27-43,46-56H,6-17H2,1-5H3
HMDB35482	Furost-20(22)-ene-2,3,26-triol; (2a,3b,5a,25S)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;4)]-b-D-glucopyranoside], 26-O-b-D-glucopyranoside	CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H84O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h19,21-27,29-49,52-64H,7-18H2,1-6H3
HMDB35483	Tuberoside C (Allium tuberosum)	CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H84O23/c1-19(18-66-46-41(63)39(61)35(57)30(15-52)70-46)6-9-27-20(2)33-29(68-27)13-25-23-8-7-22-12-28(26(55)14-51(22,5)24(23)10-11-50(25,33)4)69-49-45(74-47-42(64)38(60)34(56)21(3)67-47)44(37(59)32(17-54)72-49)73-48-43(65)40(62)36(58)31(16-53)71-48/h19,21-26,28-49,52-65H,6-18H2,1-5H3
HMDB38164	Vulgarone B	CC1=CC(=O)C2C3C1C2(C)CCCC3(C)C	InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3
HMDB38165	Acoric acid	CC(C)C(=O)C1(CCC(C)C(=O)C1)C(C)CC(O)=O	InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)
HMDB38166	Bicycloelemene	CC(=C)C1C2C(CCC1(C)C=C)C2(C)C	InChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3
HMDB38167	Maalialcohol	[H][C@]12[C@H]3[C@@H](CC[C@]1(C)CCC[C@]2(C)O)C3(C)C	InChI=1S/C15H26O/c1-13(2)10-6-9-14(3)7-5-8-15(4,16)12(14)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m1/s1
HMDB38160	7(14)-Isodaucen-10-one	CC(C)C1CCC2(C)C1CC(=C)CCC2=O	InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h10,12-13H,3,5-9H2,1-2,4H3
HMDB38161	Pterosin J	CC1C(O)C2=C(C1=O)C(C)=C(CCCl)C(C)=C2	InChI=1S/C14H17ClO2/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,16H,4-5H2,1-3H3
HMDB38162	Lactarazulene	CC(=C)C1=CC2=C(C)C=CC2=C(C)C=C1	InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3
HMDB38163	Lactarofulvene	CC(=C)C1=CC2=C(C=CC2=C)C(C)=CC1	InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-6,8-9H,1,4,7H2,2-3H3
HMDB38168	gamma-Himachalene	CC1=CC2C(CC1)C(C)=CCCC2(C)C	InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h6,10,13-14H,5,7-9H2,1-4H3
HMDB38169	7-Methyl-3-methylene-1,6-octadiene	CC(C)=CCCC(=C)C=C	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
HMDB40113	4-Ethyl-2-heptylthiazole	CCCCCCCC1=NC(CC)=CS1	InChI=1S/C12H21NS/c1-3-5-6-7-8-9-12-13-11(4-2)10-14-12/h10H,3-9H2,1-2H3
HMDB56458	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,33,35,37-38,43,46,54,58,75-77,82H,5-20,22-24,26-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB40989	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8b,10b)-form, 6-Tigloyl	C\C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C	InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-15,17,21H,7-9H2,1-5H3/b10-6+
HMDB40988	Falimint	CCCOC1=C(NC(C)=O)C=C(C=C1)N(=O)=O	InChI=1S/C11H14N2O4/c1-3-6-17-11-5-4-9(13(15)16)7-10(11)12-8(2)14/h4-5,7H,3,6H2,1-2H3,(H,12,14)
HMDB40985	Polixetonium chloride	[Cl-].[Cl-].C[N+](C)(CCP)CC[N+](C)(C)CCOP	InChI=1S/C10H28N2OP2.2ClH/c1-11(2,7-9-13-15)5-6-12(3,4)8-10-14;;/h5-10,14-15H2,1-4H3;2*1H/q+2;;/p-2
HMDB40984	Sophorotriose	OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2
HMDB40987	(-)-Morphine	CN1CCC23C4OC5=C(O)C=CC(CC1C2C=CC4O)=C35	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
HMDB40986	(E)-3-(4-Hydroxyphenyl)-2-propenal	OC1=CC=C(\C=C\C=O)C=C1	InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+
HMDB40981	7-Hydroxy-2-calamenenone	CC(C)C1CC(=O)C(C)C2=C1C=C(C)C(O)=C2	InChI=1S/C15H20O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7-8,10-11,16H,6H2,1-4H3
HMDB40980	Valdiate	CC(C)CC(=O)OC1OC=C(COC(C)=O)C2CCC(C)C12	InChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3
HMDB40983	1,17-Heptadecanediol	OCCCCCCCCCCCCCCCCCO	InChI=1S/C17H36O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h18-19H,1-17H2
HMDB40982	1,20-Eicosanediol	OCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C20H42O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h21-22H,1-20H2
HMDB32395	2-Methyl-1,3-cyclohexadiene	CC1=CCCC=C1	InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3
HMDB57435	CL(16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,28-30,32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB48340	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,39,42,54H,4-6,9,12-14,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB32394	6-Methylcoumarin	CC1=CC=C2OC(=O)C=CC2=C1	InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
HMDB50125	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,37-38,43,46,64H,4-16,18-19,21-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,38-27-,46-43-
HMDB40329	xi-5-Hydroxydecanoic acid	CCCCCC(O)CCCC(O)=O	InChI=1S/C10H20O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
HMDB40328	4-Pentenoic acid, 9CI; Me ester	COC(=O)CCC=C	InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3
HMDB40321	3',8-Dihydroxy-4',5',7-trimethoxyflavone	COC1=C(O)C2=C(C=C1)C(=O)C=C(O2)C1=CC(OC)=C(OC)C(O)=C1	InChI=1S/C18H16O7/c1-22-13-5-4-10-11(19)8-14(25-17(10)16(13)21)9-6-12(20)18(24-3)15(7-9)23-2/h4-8,20-21H,1-3H3
HMDB40320	3,4',5,6,7-Pentahydroxyflavanone; 4',6-Di-Me ether	COC1=CC=C(C=C1)C1OC2=C(C(=O)C1O)C(O)=C(OC)C(O)=C2	InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3
HMDB40323	3',4',5',7,8-Pentamethoxyflavone	COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2	InChI=1S/C20H20O7/c1-22-14-7-6-12-13(21)10-15(27-18(12)20(14)26-5)11-8-16(23-2)19(25-4)17(9-11)24-3/h6-10H,1-5H3
HMDB40322	3'-Hydroxy-4',5',7,8-tetramethoxyflavone	COC1=C(OC)C2=C(C=C1)C(=O)C=C(O2)C1=CC(OC)=C(OC)C(O)=C1	InChI=1S/C19H18O7/c1-22-14-6-5-11-12(20)9-15(26-17(11)19(14)25-4)10-7-13(21)18(24-3)16(8-10)23-2/h5-9,21H,1-4H3
HMDB40325	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan; (7R*,8R*)-form, 3-Me ether, 4-O-b-D-xylopyranoside	COC1=CC(=CC=C1OC1OCC(O)C(O)C1O)C(O)C(CO)OC1=C(O)C=C(CCCO)C=C1	InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3
HMDB40324	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan; (7R*,8R*)-form, 3-Me ether	COC1=CC(=CC=C1O)C(O)C(CO)OC1=C(O)C=C(CCCO)C=C1	InChI=1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3
HMDB40327	Pentyl formate	CCCCCOC=O	InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3
HMDB40326	7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one	CC1=CC(=O)C2=C(O1)C=C(O)C=C2C	InChI=1S/C11H10O3/c1-6-3-8(12)5-10-11(6)9(13)4-7(2)14-10/h3-5,12H,1-2H3
HMDB08398	PC(20:3(8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,42H,6-13,15,18,22,24,26-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-/t42-/m1/s1
HMDB08399	PC(20:3(8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,44H,6-13,15,17-19,21,23-24,27-43H2,1-5H3/b16-14-,22-20-,26-25-/t44-/m1/s1
HMDB08394	PC(20:3(8Z,11Z,14Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,40H,6-13,15,17-18,21,24-39H2,1-5H3/b16-14-,20-19-,23-22-/t40-/m1/s1
HMDB08395	PC(20:3(8Z,11Z,14Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13-16,19-20,22-23,40H,6-12,17-18,21,24-39H2,1-5H3/b15-13-,16-14-,20-19-,23-22-/t40-/m1/s1
HMDB08396	PC(20:3(8Z,11Z,14Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,41H,6-13,15,17-19,22,25-40H2,1-5H3/b16-14-,21-20-,24-23-/t41-/m1/s1
HMDB08397	PC(20:3(8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,42H,6-13,15,17-19,22,24,26-41H2,1-5H3/b16-14-,21-20-,25-23-/t42-/m1/s1
HMDB08390	PC(20:3(5Z,8Z,11Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,24-25,29,31,36,39,43H,6-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b22-20-,25-24-,31-29-,39-36-
HMDB08391	PC(20:3(5Z,8Z,11Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,38,41,45H,6-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,27-25-,33-31-,41-38-
HMDB08392	PC(20:3(5Z,8Z,11Z)/P-18:1(11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,25,27,31,33,38,41,45H,6-16,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b19-17-,22-20-,27-25-,33-31-,41-38-
HMDB08393	PC(20:3(5Z,8Z,11Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,25,27,31,33,38,41,45H,6-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,23-21-,27-25-,33-31-,41-38-
HMDB32919	Ethyl 2-furanyl diketone	CCC(=O)C(=O)C1=CC=CO1	InChI=1S/C8H8O3/c1-2-6(9)8(10)7-4-3-5-11-7/h3-5H,2H2,1H3
HMDB32918	3-(2-Furanyl)-2-propenal	O=C\C=C/C1=CC=CO1	InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1-
HMDB32913	4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone	CC(=O)CCC1=C(C)CCCC1(C)C	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
HMDB32912	Ethyl methyl disulfide	CCSSC	InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3
HMDB32911	Isoorientin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl]	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC=C(O)C(O)=C4)C=C3O)C(O)C(O)C2O)=CC=C1O	InChI=1S/C37H38O19/c1-51-22-8-14(2-5-17(22)40)3-7-26(44)52-13-25-30(46)32(48)34(50)37(55-25)56-36-33(49)29(45)24(12-38)54-35(36)28-20(43)11-23-27(31(28)47)19(42)10-21(53-23)15-4-6-16(39)18(41)9-15/h2-11,24-25,29-30,32-41,43,45-50H,12-13H2,1H3/b7-3+
HMDB32910	Isoorientin; 2''-O-[4-Hydroxy-E-cinnamoyl-(-&gt;6)-b-D-glucopyranosyl]	OCC1OC(C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2/b8-3+
HMDB32917	1-(2-Furanyl)-2-propanone	CC(=O)CC1=CC=CO1	InChI=1S/C7H8O2/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3
HMDB32916	2-(Methylthiomethyl)furan	CSCC1=CC=CO1	InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3
HMDB32915	2-Furanmethanethiol	SCC1=CC=CO1	InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
HMDB32914	2-Furancarboxaldehyde	O=CC1=CC=CO1	InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
HMDB09115	PE(18:2(9Z,12Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,33,36,40H,3-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,36-33-/t40-/m1/s1
HMDB09114	PE(18:2(9Z,12Z)/P-16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,34,38H,3-10,12,14-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,34-31-/t38-/m1/s1
HMDB09117	PE(18:2(9Z,12Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,33,36,40H,3-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,36-33-/t40-/m1/s1
HMDB09116	PE(18:2(9Z,12Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,33,36,40H,3-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,36-33-/t40-/m1/s1
HMDB09111	PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,43H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1
HMDB09110	PE(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,43H,3-4,6,8-10,15-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1
HMDB09113	PE(18:2(9Z,12Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,45H,3-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-/t45-/m1/s1
HMDB09112	PE(18:2(9Z,12Z)/24:0)	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,45H,3-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-/t45-/m1/s1
HMDB09119	PE(18:3(6Z,9Z,12Z)/14:1(9Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13,16-17,20-21,35H,3-9,14-15,18-19,22-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-,21-20-/t35-/m1/s1
HMDB09118	PE(18:3(6Z,9Z,12Z)/14:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,20-21,35H,3-10,12,14-15,18-19,22-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-,21-20-/t35-/m1/s1
HMDB37244	(8alpha,10beta,11beta)-3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide	CC1C2CC=C(CCO)C(C)CC2OC1=O	InChI=1S/C13H20O3/c1-8-7-12-11(9(2)13(15)16-12)4-3-10(8)5-6-14/h3,8-9,11-12,14H,4-7H2,1-2H3
HMDB37245	Myrigalone A	CC1C(=O)C(C(=O)CCC2=CC=CC=C2)C(=O)C(C)(C)C1=O	InChI=1S/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
HMDB37246	Myrigalon B	COC1=C(C)C(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1C	InChI=1S/C18H20O4/c1-11-16(20)15(17(21)12(2)18(11)22-3)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3
HMDB37247	(S)-4',5,7-Trihydroxy-6-prenylflavanone	CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1	InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
HMDB37240	Argon	[Ar]	InChI=1S/Ar
HMDB37241	8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one	CC(C)C(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O	InChI=1S/C24H24O6/c1-12(2)20(26)19-21(27)18-14(13-8-6-5-7-9-13)11-17(25)30-22(18)15-10-16(24(3,4)28)29-23(15)19/h5-9,11-12,16,27-28H,10H2,1-4H3
HMDB37242	Mammea A/AC cyclo F	CCCC(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O	InChI=1S/C24H24O6/c1-4-8-16(25)20-21(27)19-14(13-9-6-5-7-10-13)12-18(26)30-22(19)15-11-17(24(2,3)28)29-23(15)20/h5-7,9-10,12,17,27-28H,4,8,11H2,1-3H3
HMDB37243	Sylpin	COC1=C(OC2=C(C)C=C(O)C(O)=C2C1=O)C1=CC=C(O)C=C1	InChI=1S/C17H14O6/c1-8-7-11(19)13(20)12-14(21)17(22-2)16(23-15(8)12)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3
HMDB37249	Isolicoflavonol	CC(C)=CCC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3
HMDB57133	CL(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,27,31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-20,22-24,26,28-30,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,31-27-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB49500	TG(18:1(11Z)/22:2(13Z,16Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,59H,4-13,15,18,20,22,27,29-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-
HMDB38982	4-Nonylphenol	CCCCCCCCCC1=CC=C(O)C=C1	InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
HMDB38983	3-Hydroxy-12-oleanene-28,30-dioic acid; 3b-form, 3-O-[a-L-Arabinopyranosyl-(1-&gt;3)-b-D-glucuronopyranoside], 28-O-b-D-glucopyranosyl ester, 30-Me ester	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H74O20/c1-43(2)25-10-13-47(6)26(45(25,4)12-11-27(43)65-40-34(57)35(33(56)36(67-40)37(58)59)66-38-31(54)28(51)23(50)20-63-38)9-8-21-22-18-44(3,41(60)62-7)14-16-48(22,17-15-46(21,47)5)42(61)68-39-32(55)30(53)29(52)24(19-49)64-39/h8,22-36,38-40,49-57H,9-20H2,1-7H3,(H,58,59)
HMDB38980	p-Menth-1-ene-4,6-diol; (4R,6S)-form, 4-O-b-D-Glucopyranoside	CC(C)C1(CC=C(C)C(O)C1)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-8(2)16(5-4-9(3)10(18)6-16)23-15-14(21)13(20)12(19)11(7-17)22-15/h4,8,10-15,17-21H,5-7H2,1-3H3
HMDB38981	p-Menth-1-ene-4,7-diol; (S)-form, 4-O-b-D-Glucopyranoside	CC(C)C1(CCC(CO)=CC1)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-9(2)16(5-3-10(7-17)4-6-16)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,9,11-15,17-21H,4-8H2,1-2H3
HMDB38986	3-Ethyl-4-methylphenol	CCC1=C(C)C=CC(O)=C1	InChI=1S/C9H12O/c1-3-8-6-9(10)5-4-7(8)2/h4-6,10H,3H2,1-2H3
HMDB38987	2-Ethyl-5-methylphenol	CCC1=C(O)C=C(C)C=C1	InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3
HMDB38984	4-Ethyl-2-methylphenol	CCC1=CC(C)=C(O)C=C1	InChI=1S/C9H12O/c1-3-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3
HMDB38985	3-Ethyl-5-methylphenol	CCC1=CC(O)=CC(C)=C1	InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
HMDB42213	TG(14:0/22:0/16:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB42212	TG(14:0/22:0/15:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
HMDB38988	2-Ethyl-4-methylphenol	CCC1=C(O)C=CC(C)=C1	InChI=1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3
HMDB38989	Oxyhumulinic acid	CC(C)CC(=O)C1=C(O)C(O)C(O)(CC=C(C)C)C1=O	InChI=1S/C15H22O5/c1-8(2)5-6-15(20)13(18)11(12(17)14(15)19)10(16)7-9(3)4/h5,9,14,17,19-20H,6-7H2,1-4H3
HMDB42217	TG(14:0/22:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB42216	TG(14:0/22:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB42215	TG(14:0/22:0/20:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB42214	TG(14:0/22:0/18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB36117	(1'R)-Nepetalic acid	CC(C=O)C1CCC(C)C1C(O)=O	InChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)
HMDB36116	(-)-3-Thujene	CC(C)C12CC1C(C)=CC2	InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
HMDB36115	(-)-3-Isothujone	CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2	InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
HMDB36114	(-)-3-Thujone	CC(C)[C@]12C[C@H]1[C@@H](C)C(=O)C2	InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1
HMDB36113	(+)-3-Thujone	CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2	InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1
HMDB36112	(1R,4S,5R)-4-Thujanol	CC(C)[C@@]12C[C@H]1[C@@](C)(O)CC2	InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
HMDB36111	beta-Bisabolol	C[C@@H](CCC=C(C)C)[C@]1(O)CCC(C)=CC1	InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m0/s1
HMDB36110	(S)-Bilobanone	CC(C)CC1=CC(=CO1)C1CC=C(C)C(=O)C1	InChI=1S/C15H20O2/c1-10(2)6-14-7-13(9-17-14)12-5-4-11(3)15(16)8-12/h4,7,9-10,12H,5-6,8H2,1-3H3
HMDB36119	Alloalantolactone	CC1=C2CC3C(CC2(C)CCC1)OC(=O)C3=C	InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11,13H,2,4-8H2,1,3H3
HMDB36118	(3S,6E)-6-Caryophyllen-15-al	C\C1=C\CCC(C=O)C2CC(C)(C)C2CC1	InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)13-9-15(2,3)14(13)8-7-11/h5,10,12-14H,4,6-9H2,1-3H3/b11-5-
HMDB42222	TG(14:0/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB55378	TG(18:4(6Z,9Z,12Z,15Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-32,36,38-39,41,58H,4-6,9,12-15,18,21-24,27,29,33-35,37,40,42-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-
HMDB13228	Decanoylcholine	CCCCCCCCCC(=O)OCC[N+](C)(C)C	InChI=1S/C15H32NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5-14H2,1-4H3/q+1
HMDB42223	TG(14:0/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h25,27,32,34,40,43,56H,4-24,26,28-31,33,35-39,41-42,44-55H2,1-3H3/b27-25-,34-32-,43-40-
HMDB13220	Beta-Citryl-L-glutamic acid	OC(=O)CCC(NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O	InChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)
HMDB13221	Beta-Cortolone	C[C@]12CC(=O)C3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@@]2(O)C(O)CO	InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12?,13-,14?,15?,17?,18?,19-,20-,21+/m0/s1
HMDB13222	Beta-Guanidinopropionic acid	NC(=N)NCCC(O)=O	InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
HMDB13223	Butyrylcholine	CCCC(=O)OCC[N+](C)(C)C	InChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
HMDB13224	Caproylcholine	CCCCCC(=O)OCC[N+](C)(C)C	InChI=1S/C11H24NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h5-10H2,1-4H3/q+1
HMDB13225	Capryloylcholine	CCCCCCCC(=O)OCC[N+](C)(C)C	InChI=1S/C13H28NO2/c1-5-6-7-8-9-10-13(15)16-12-11-14(2,3)4/h5-12H2,1-4H3/q+1
HMDB13227	cis-5-Decenedioic acid	OC(=O)CCC\C=C/CCCC(O)=O	InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-2H,3-8H2,(H,11,12)(H,13,14)/b2-1-
HMDB55379	TG(18:4(6Z,9Z,12Z,15Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-6,9,12-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-
HMDB13899	3-Hydroxyvalproic acid	CCCC(C(O)CC)C(O)=O	InChI=1S/C8H16O3/c1-3-5-6(8(10)11)7(9)4-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)
HMDB13898	5-Hydroxyvalproic acid	CCCC(CCCO)C(O)=O	InChI=1S/C8H16O3/c1-2-4-7(8(10)11)5-3-6-9/h7,9H,2-6H2,1H3,(H,10,11)
HMDB36478	Araliasaponin IV	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H88O24/c1-49(2)14-15-54(48(70)78-45-39(67)37(65)33(61)25(19-56)72-45)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-46-40(68)42(34(62)26(20-57)73-46)77-47-41(69)43(35(63)27(21-58)74-47)76-44-38(66)36(64)32(60)24(18-55)71-44/h8,23-47,55-69H,9-21H2,1-7H3
HMDB13896	3'-HPPH	OC1=CC(=CC=C1)[C@]1(NC(=O)NC1=O)C1=CC=CC=C1	InChI=1S/C15H12N2O3/c18-12-8-4-7-11(9-12)15(10-5-2-1-3-6-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)/t15-/m1/s1
HMDB57436	CL(16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-27,31,33-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,28-30,32,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB43168	TG(15:0/14:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-
HMDB43169	TG(15:0/14:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C46H84O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,43H,4-13,16,19-42H2,1-3H3/b17-14-,18-15-
HMDB43162	TG(15:0/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-58(57-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)56-63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB43163	TG(15:0/14:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-44(53-47(50)41-38-35-32-29-24-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-
HMDB43160	TG(15:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,39,42,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-38,40-41,43-60H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-39-
HMDB43161	TG(15:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,35,39,42,48,51,61H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b11-8-,20-17-,28-26-,35-33-,42-39-,51-48-
HMDB43166	TG(15:0/14:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-
HMDB43167	TG(15:0/14:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-
HMDB43164	TG(15:0/14:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-30-25-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h15,18,45H,4-14,16-17,19-44H2,1-3H3/b18-15-
HMDB43165	TG(15:0/14:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h15,18,47H,4-14,16-17,19-46H2,1-3H3/b18-15-
HMDB47898	TG(14:1(9Z)/14:1(9Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14-19,23-24,50H,4-13,20-22,25-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-
HMDB47899	TG(14:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14-19,23-24,26-27,29,32,50H,4-13,20-22,25,28,30-31,33-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,32-29-
HMDB47892	TG(14:1(9Z)/14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h14-15,17-18,23-24,52H,4-13,16,19-22,25-51H2,1-3H3/b17-14-,18-15-,24-23-
HMDB47893	TG(14:1(9Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2/h14-15,17-19,22,24-25,47H,4-13,16,20-21,23,26-46H2,1-3H3/b17-14-,18-15-,22-19-,25-24-
HMDB47890	TG(14:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-15,17-18,23-24,26-27,32,35,48H,4-13,16,19-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,18-15-,24-23-,27-26-,35-32-
HMDB47891	TG(14:1(9Z)/14:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14-15,17-18,23-24,50H,4-13,16,19-22,25-49H2,1-3H3/b17-14-,18-15-,24-23-
HMDB47896	TG(14:1(9Z)/14:1(9Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-19,23-24,26-27,48H,4-13,20-22,25,28-47H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-
HMDB47897	TG(14:1(9Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-19,23-24,26-27,32,35,48H,4-13,20-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,35-32-
HMDB47894	TG(14:1(9Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14-19,23-24,28,30,46H,4-13,20-22,25-27,29,31-45H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,30-28-
HMDB47895	TG(14:1(9Z)/14:1(9Z)/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2/h13-18,22-23,47H,4-12,19-21,24-46H2,1-3H3/b16-13-,17-14-,18-15-,23-22-
HMDB36809	2,6-Diethylpyrazine	CCC1=CN=CC(CC)=N1	InChI=1S/C8H12N2/c1-3-7-5-9-6-8(4-2)10-7/h5-6H,3-4H2,1-2H3
HMDB36808	2,5-Diethylpyrazine	CCC1=CN=C(CC)C=N1	InChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3
HMDB44218	TG(16:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,41-38-
HMDB36801	16,19-Kauranediol; (ent-16bOH)-form, 19-Ac	CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4(C)O)CCC12	InChI=1S/C22H36O3/c1-15(23)25-14-19(2)9-5-10-20(3)17(19)8-11-22-12-16(6-7-18(20)22)21(4,24)13-22/h16-18,24H,5-14H2,1-4H3
HMDB36800	3beta-Hydroxy-22(30)-hopen-29-al	CC12CCC(C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC12C)C(=C)C=O	InChI=1S/C30H48O2/c1-19(18-31)20-10-14-27(4)21(20)11-16-29(6)23(27)8-9-24-28(5)15-13-25(32)26(2,3)22(28)12-17-30(24,29)7/h18,20-25,32H,1,8-17H2,2-7H3
HMDB36803	6-O-Acetylaustroinulin	CC(=O)OC1C(O)C(C)(O)C(C\C=C(\C)C=C)C2(C)CCCC(C)(C)C12	InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(26-15(3)23)19(24)22(16,7)25/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-
HMDB36802	Austroinulin	C\C(C=C)=C\CC1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C	InChI=1S/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3/b13-9-
HMDB36805	8(17),12-Labdadiene-15,16-dial	CC1(C)CCCC2(C)C(C\C=C(/CC=O)C=O)C(=C)CCC12	InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+
HMDB36804	7-O-Acetylaustroinulin	CC(=O)OC1C(O)C2C(C)(C)CCCC2(C)C(C\C=C(\C)C=C)C1(C)O	InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(24)19(22(16,7)25)26-15(3)23/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-
HMDB36807	(2-Furanylmethyl) methyl disulfide	CSSCC1=CC=CO1	InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3
HMDB36806	Aframodial	CC1(C)CCCC2(C)C(C\C=C(/CC=O)C=O)C3(CO3)CCC12	InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5,12-13,16-17H,4,6-11,14H2,1-3H3/b15-5+
HMDB07661	DG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,26,28,32,34,43,46H,3-10,12,14-16,21-25,27,29-31,33,35-42H2,1-2H3/b13-11-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1
HMDB07660	DG(22:2(13Z,16Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43,46H,3-10,15-16,21-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t43-/m0/s1
HMDB07663	DG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,32,34,43,46H,3-10,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1
HMDB09206	PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,27,29,43H,3-5,7,9-10,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,23-18-,29-27-/t43-/m1/s1
HMDB39358	Ginsenoyne D	CCCCCCCC1OC1CC#CC#CC(O)CC	InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h15-18H,3-7,10,13-14H2,1-2H3
HMDB39359	10-Hydroxy-2,8-decadiene-4,6-diynoic acid; (Z,Z)-form, Me ester	COC(=O)\C=C\C#CC#C\C=C\CO	InChI=1S/C11H10O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h6-9,12H,10H2,1H3/b8-6+,9-7+
HMDB39354	Methyl 6-O-galloyl-beta-D-glucopyranoside	COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C14H18O10/c1-22-14-12(20)11(19)10(18)8(24-14)4-23-13(21)5-2-6(15)9(17)7(16)3-5/h2-3,8,10-12,14-20H,4H2,1H3
HMDB07665	DG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,32,34,43,46H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1
HMDB39356	Panaquinquecol 5	C=CCCCCCC1OC1CC#CC#C	InChI=1S/C14H18O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2-3,13-14H,1,5,7-8,10-12H2
HMDB39357	Dihydroprudomenin	COC1=CC=C(C=C1)C1OC2=C(OC)C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2C(=O)C1O	InChI=1S/C23H26O12/c1-31-10-5-3-9(4-6-10)20-18(29)16(27)14-11(25)7-12(21(32-2)22(14)35-20)33-23-19(30)17(28)15(26)13(8-24)34-23/h3-7,13,15,17-20,23-26,28-30H,8H2,1-2H3
HMDB39350	2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanol	COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(OC)C(O)=C1	InChI=1S/C22H28O7/c1-7-8-14-9-17(25-3)22(18(10-14)26-4)29-13(2)20(24)15-11-16(23)21(28-6)19(12-15)27-5/h7,9-13,20,23-24H,1,8H2,2-6H3
HMDB39351	Myricanol; 11-Deoxy, 10E,11-didehydro, 5-O-[a-L-arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CC\C=C/CCC2)=C1	InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h3-4,10-13,21-27,31-39H,5-9,14-15H2,1-2H3/b4-3-
HMDB39352	Azukisaponin III	CC12CCC(C)(CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O	InChI=1S/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)
HMDB39353	alpha-Chaconine	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O	InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3
HMDB07667	DG(22:2(13Z,16Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,45,48H,3-10,12,14-16,21-44H2,1-2H3/b13-11-,19-17-,20-18-/t45-/m0/s1
HMDB07666	DG(22:2(13Z,16Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45,48H,3-10,12,14-16,18,20-44H2,1-2H3/b13-11-,19-17-/t45-/m0/s1
HMDB44215	TG(16:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,37,40,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,40-37-
HMDB44214	TG(16:0/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,56H,4-7,9-10,12-16,18-19,21-24,28-30,32-55H2,1-3H3/b11-8-,20-17-,27-25-,31-26-
HMDB47235	TG(24:0/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,64H,4-16,18-19,22-23,25,27-28,30-63H2,1-3H3/b20-17-,24-21-,29-26-
HMDB07962	PC(15:0/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42(3,4)5)38-47-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h33,36,40H,6-32,34-35,37-39H2,1-5H3/b36-33-
HMDB42304	TG(14:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,48H,4-19,21-22,24-47H2,1-3H3/b23-20-
HMDB07963	PC(15:0/P-18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C41H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42(3,4)5)38-47-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h16,18,33,36,40H,6-15,17,19-32,34-35,37-39H2,1-5H3/b18-16-,36-33-
HMDB07960	PC(15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h20-21,45H,6-19,22-44H2,1-5H3/b21-20-/t45-/m1/s1
HMDB07961	PC(15:0/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40(3,4)5)36-45-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/b34-31-
HMDB35444	Liquiritigenin 4'-[3-acetylapiosyl-(1-&gt;2)-glucoside]	CC(=O)OC1(CO)COC(OC2C(O)C(O)C(CO)OC2OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C1O	InChI=1S/C28H32O14/c1-13(31)42-28(11-30)12-37-27(25(28)36)41-24-23(35)22(34)21(10-29)40-26(24)38-16-5-2-14(3-6-16)19-9-18(33)17-7-4-15(32)8-20(17)39-19/h2-8,19,21-27,29-30,32,34-36H,9-12H2,1H3
HMDB35445	2''-Methoxyoleuropein	COC(COC(=O)CC1\C(=C/C)C(OC2OC(CO)C(O)C(O)C2O)OC=C1C(=O)OC)C1=CC(O)=C(O)C=C1	InChI=1S/C26H34O14/c1-4-13-14(8-20(30)37-11-19(35-2)12-5-6-16(28)17(29)7-12)15(24(34)36-3)10-38-25(13)40-26-23(33)22(32)21(31)18(9-27)39-26/h4-7,10,14,18-19,21-23,25-29,31-33H,8-9,11H2,1-3H3/b13-4+
HMDB28936	Leucyl-Phenylalanine	CC(C)CC(NC(=O)C(N)CC1=CC=CC=C1)C(O)=O	InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)
HMDB28937	Leucyl-Proline	CC(C)CC(NC(=O)C1CCCN1)C(O)=O	InChI=1S/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
HMDB28934	Leucyl-Lysine	CC(C)CC(NC(=O)C(N)CCCCN)C(O)=O	InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)
HMDB28935	Leucyl-Methionine	CSCCC(N)C(=O)NC(CC(C)C)C(O)=O	InChI=1S/C11H22N2O3S/c1-7(2)6-9(11(15)16)13-10(14)8(12)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
HMDB28932	Leucyl-Isoleucine	CCC(C)C(N)C(=O)NC(CC(C)C)C(O)=O	InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
HMDB28933	Leucyl-Leucine	CC(C)CC(N)C(=O)NC(CC(C)C)C(O)=O	InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
HMDB28930	Leucyl-Hydroxyproline	CC(C)CC(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C11H20N2O4/c1-6(2)3-9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
HMDB28931	Leucyl-Histidine	CC(C)CC(NC(=O)C(N)CC1=CN=CN1)C(O)=O	InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
HMDB07965	PC(16:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
HMDB28938	Leucyl-Serine	CC(C)CC(NC(=O)C(N)CO)C(O)=O	InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
HMDB28939	Leucyl-Threonine	CC(C)CC(NC(=O)C(N)C(C)O)C(O)=O	InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)
HMDB59187	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-42,47-50,57-58,61-62,79-81,86H,5-20,23-24,28-30,32,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t79?,80-,81-/m1/s1
HMDB59186	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,40-43,48-49,51-52,59-60,63-64,81-83,88H,5-20,23-24,27-32,35,38-39,44-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB59185	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,39-42,47-50,57-58,61-62,79-81,86H,5-20,23-24,27-32,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t80-,81-/m1/s1
HMDB59184	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-51,55-58,60-63,67-70,72-74,89-91,96H,5-8,12,16-20,29-32,41-43,47,52-54,59,64-66,71,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB59183	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-51,55-58,60-63,67-69,72-73,89-91,96H,5-8,12,16-20,29-32,41-43,47,52-54,59,64-66,70-71,74-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-/t89?,90-,91-/m1/s1
HMDB59182	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,44-46,48-51,55-58,60-63,67-70,72-74,89-91,96H,5-8,11-12,15-20,29-32,41-43,47,52-54,59,64-66,71,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB59181	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59180	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64-65,67,69,71,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,66,68,70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-,69-65-,71-67-/t86?,87-,88-/m1/s1
HMDB59189	CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-44,48-49,51-52,59-60,63-64,81-83,88H,5-20,23-24,27-32,38-39,45-47,50,53-58,61-62,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,63-59-,64-60-/t81?,82-,83-/m1/s1
HMDB42306	TG(14:0/16:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB34539	2,3-Dihydroxy-12-oleanen-28-oic acid; (2a,3b)-form, 3-O-(4-E-Hydroxycinnamoyl)	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)\C=C/C6=CC=C(O)C=C6)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-
HMDB34538	Mubenin B	CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(O)=O)C3(C)C)C(O)C2O)C(O)C(O)C1O	InChI=1S/C41H66O11/c1-21-28(42)30(44)32(46)34(50-21)51-24-20-49-33(31(45)29(24)43)52-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)
HMDB34537	Araloside C	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-36(63)33(60)31(58)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-37(64)34(61)40(41(75-46)42(66)67)74-43-38(65)39(24(56)21-69-43)73-44-35(62)32(59)30(57)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)
HMDB34536	Araloside B	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(OC7OC(CO)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)30(56)24(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-37(63)38(71-42-34(60)31(57)25(20-54)67-42)39(40(73-45)41(64)65)72-43-35(61)32(58)26(21-55)68-43/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)
HMDB34535	Araloside A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)
HMDB34534	Ginsenoside Ro	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)
HMDB34533	Spinasaponin A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)
HMDB34532	Camelliagenin C	CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C30H50O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,19-24,31-35H,8-17H2,1-6H3
HMDB34531	Camelliagenin B	CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC34C)C2C1	InChI=1S/C30H48O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,16,19-24,32-35H,8-15,17H2,1-6H3
HMDB34530	Priverogenin A	CC1(C)CC(O)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1	InChI=1S/C30H48O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,17,19-24,32-34H,9-16H2,1-7H3
HMDB42402	TG(14:0/20:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,54H,4-23,28-53H2,1-3H3/b26-24-,27-25-
HMDB38409	6-(Methylthio)hexyl glucosinolate	CSCCCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/b15-10+
HMDB38408	2-(Methylthio)ethyl glucosinolate	CSCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C10H19NO9S3/c1-21-3-2-6(11-20-23(16,17)18)22-10-9(15)8(14)7(13)5(4-12)19-10/h5,7-10,12-15H,2-4H2,1H3,(H,16,17,18)/b11-6+
HMDB38407	Glucocheirolin	CS(=O)(=O)CCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/b12-7+
HMDB38406	Glucoiberin	CS(=O)CCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/b12-7+
HMDB38405	6-Sinapoylglucoraphenin	COC1=CC(\C=C\C(=O)OCC2OC(S\C(CC\C=C\S(C)=O)=N\OS(O)(=O)=O)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C23H31NO14S3/c1-34-14-10-13(11-15(35-2)19(14)26)7-8-18(25)36-12-16-20(27)21(28)22(29)23(37-16)39-17(24-38-41(31,32)33)6-4-5-9-40(3)30/h5,7-11,16,20-23,26-29H,4,6,12H2,1-3H3,(H,31,32,33)/b8-7+,9-5+,24-17+
HMDB38404	Glucoraphanin	CS(=O)CCCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O	InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/p-1/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
HMDB38403	Glucoerucin	CSCCCC\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O	InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+
HMDB38402	Sinalbine	COC1=CC(\C=C\C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O.OC[C@H]1O[C@@H](S\C(=N/OS(=O)([O-])=O)CC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C16H23NO5.C14H19NO10S2/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h6-7,10-11H,8-9H2,1-5H3;1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b;15-10-/t;9-,11-,12+,13-,14+/m.1/s1
HMDB38401	Glucosinalbin	OC[C@H]1O[C@@H](S\C(=N/OS(=O)([O-])=O)CC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1
HMDB38400	(2xi,4xi)-2,4-Nonadien-1-ol	CCCC\C=C/C=C\CO	InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3/b6-5-,8-7-
HMDB42401	TG(14:0/20:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h24-26,28,52H,4-23,27,29-51H2,1-3H3/b26-24-,28-25-
HMDB42406	TG(14:0/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,29,53H,4-19,21-22,25,28,30-52H2,1-3H3/b23-20-,26-24-,29-27-
HMDB42300	TG(14:0/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H94O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-45-47(54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2/h15,18,47H,4-14,16-17,19-46H2,1-3H3/b18-15-
HMDB42407	TG(14:0/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28,33,36,52H,4-16,18-19,21-23,27,29-32,34-35,37-51H2,1-3H3/b20-17-,26-24-,28-25-,36-33-
HMDB42404	TG(14:0/20:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h24-27,56H,4-23,28-55H2,1-3H3/b26-24-,27-25-
HMDB42405	TG(14:0/20:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-
HMDB42303	TG(14:0/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h20,23,46H,4-19,21-22,24-45H2,1-3H3/b23-20-
HMDB46538	TG(22:0/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,36,39,45,48,62H,4-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b29-26-,30-27-,39-36-,48-45-
HMDB57430	CL(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36,40,46,50,71-73,78H,5-20,22-24,27-29,31-32,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1
HMDB46539	TG(22:0/20:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,64H,4-24,26,29,31-63H2,1-3H3/b28-25-,30-27-
HMDB46613	TG(22:0/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,40,43,49,52,66H,4-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b28-25-,30-27-,43-40-,52-49-
HMDB42302	TG(14:0/16:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C48H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,45H,4-18,20-21,23-44H2,1-3H3/b22-19-
HMDB46611	TG(22:0/24:1(15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,38,64H,4-24,26,29-37,39-63H2,1-3H3/b28-25-,38-27-
HMDB58276	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,68,72,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-53,57,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB58277	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58274	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,43-48,54-56,58-60,68,72,87-89,94H,5-8,11-12,15-20,24,29-31,36,40-42,49-53,57,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB46610	TG(22:0/24:1(15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,64H,4-20,22-23,26-27,29-63H2,1-3H3/b24-21-,28-25-
HMDB10229	CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,25-29,31-32,34,37,73-75,80H,5-21,23-24,30,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,29-25-,31-27-,32-28-,37-34-/t73?,74-,75-/m1/s1
HMDB10228	CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,25-27,29,31,34,37,73-75,80H,5-21,23-24,28,30,32-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,29-25-,31-27-,37-34-/t73?,74-,75-/m1/s1
HMDB58270	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB58271	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB10224	9-HOTE	CC\C=C/CC\C=C\C=C(\O)CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,8,11,14,19H,2,5-7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,11-8+,17-14+
HMDB10227	CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h23,27,33-40,75-77,82H,5-22,24-26,28-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b27-23-,37-33-,38-34-,39-35-,40-36-/t75?,76-,77-/m1/s1
HMDB10226	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h23,25-30,32,35,39,75-77,82H,5-22,24,31,33-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b27-23-,29-25-,30-26-,32-28-,39-35-/t75?,76-,77-/m1/s1
HMDB10221	9,10-DiHODE	CC\C=C/C\C=C/CC(O)C(O)CCCCCCCC(O)=O	InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,16-17,19-20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-
HMDB10220	9(10)-EpODE	CC\C=C/C\C=C/CC1OC1CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,16-17H,2,5-6,8-9,11-15H2,1H3,(H,19,20)/b4-3-,10-7-
HMDB10223	9-HODE	CCCCC\C=C\C=C\C(O)CCCCCCCC(O)=O	InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
HMDB10222	9-HETE	CCCCC\C=C/C\C=C/CC(O)\C=C/C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17-14-
HMDB46615	TG(22:0/24:1(15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,70H,4-24,27,30-69H2,1-3H3/b28-25-,29-26-
HMDB46536	TG(22:0/20:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34,60H,4-25,28,30-33,35-59H2,1-3H3/b29-26-,34-27-
HMDB46614	TG(22:0/24:1(15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,68H,4-24,27,30-67H2,1-3H3/b28-25-,29-26-
HMDB47175	TG(24:0/14:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-
HMDB46537	TG(22:0/20:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,62H,4-25,28,31-61H2,1-3H3/b29-26-,30-27-
HMDB58579	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB47174	TG(24:0/14:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h14-15,17-18,52H,4-13,16,19-51H2,1-3H3/b17-14-,18-15-
HMDB58578	CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,41,44-45,47-48,50-52,54,59-60,62-64,66,83-85,90H,5-20,24,28-32,40,42-43,46,49,53,55-58,61,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,51-47-,52-48-,54-50-,63-59-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB49436	TG(18:1(11Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16-17,20-22,24-26,29,35,38,55H,4-12,14-15,18-19,23,27-28,30-34,36-37,39-54H2,1-3H3/b16-13-,20-17-,24-21-,25-22-,29-26-,38-35-
HMDB57433	CL(16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,27-29,31-32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB47176	TG(24:0/14:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,20,23,56H,4-14,16-17,19,21-22,24-55H2,1-3H3/b18-15-,23-20-
HMDB49937	TG(18:1(9Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-33,36,42,45,58H,4-6,8-9,11-15,17-18,20-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,36-33-,45-42-
HMDB49936	TG(18:1(9Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-33,36,58H,4-6,8-9,11-15,17-18,20-24,30-31,34-35,37-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,36-33-
HMDB49935	TG(18:1(9Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,39-36-
HMDB49934	TG(18:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-31,56H,4-7,9-10,12-16,18-19,21-24,29,32-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-
HMDB49933	TG(18:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-
HMDB49932	TG(18:1(9Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-
HMDB49931	TG(18:1(9Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,34,60H,4-15,17-18,20-24,30-33,35-59H2,1-3H3/b19-16-,28-25-,29-26-,34-27-
HMDB52533	TG(18:2(9Z,12Z)/18:1(11Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h13,16,20-25,29,32,56H,4-12,14-15,17-19,26-28,30-31,33-55H2,1-3H3/b16-13-,23-20-,24-21-,25-22-,32-29-
HMDB52532	TG(18:2(9Z,12Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,19-22,24,26,28-29,31,35,38,55H,4-16,18,23,25,27,30,32-34,36-37,39-54H2,1-3H3/b20-17-,22-19-,24-21-,29-26-,31-28-,38-35-
HMDB52530	TG(18:2(9Z,12Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-35-31-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,27,29,54H,4-18,20,23,25-26,28,30-53H2,1-3H3/b22-19-,24-21-,29-27-
HMDB52537	TG(18:2(9Z,12Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,31-32,34,37,40,59H,4-15,17-18,22,26-27,30,33,35-36,38-39,41-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,40-37-
HMDB52536	TG(18:2(9Z,12Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,34,59H,4-15,17-18,22,26-27,30-33,35-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-29-
HMDB49939	TG(18:1(9Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-
HMDB49938	TG(18:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-
HMDB42914	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,31,33,37,40,46,49,58H,4-7,9-10,12-16,18-19,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-
HMDB42915	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,35,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-23,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-32-,42-39-,51-48-
HMDB42918	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,29-30,34,37,43,46,55H,4-6,8-9,11-13,15,18,20-22,27-28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,30-29-,37-34-,46-43-
HMDB42305	TG(14:0/16:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-
HMDB59097	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-46,48-50,52,54,57,60-61,64,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,47,51,53,55-56,58-59,62-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,52-48-,54-50-,61-57-,64-60-/t83?,84-,85-/m1/s1
HMDB59096	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,46,48-50,52,54,57,60-61,64,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,47,51,53,55-56,58-59,62-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,52-48-,54-50-,61-57-,64-60-/t83?,84-,85-/m1/s1
HMDB59091	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h10,14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-67,70,87-89,94H,5-9,11-13,15-20,29-32,41-42,45-46,50,52,57,59,62,64,68-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-/t87?,88-,89-/m1/s1
HMDB59093	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)78-98-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43-44,46,48-50,52,55,58-59,62,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,45,47,51,53-54,56-57,60-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-/t81?,82-,83-/m1/s1
HMDB59092	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h10,14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-9,11-13,15-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB41838	beta-zearalenol	[H]\C1=C([H])/C2=CC(O)=CC(O)=C2C(=O)O[C@]([H])(C)CCC[C@]([H])(O)CCC1	InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m1/s1
HMDB41839	biuret	OC(=N)NC(O)=N	InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
HMDB41836	benzoyl ecgonine	[H]C12CCC([H])(N1C)[C@@]([H])(C(O)=O)[C@]([H])(C2)OC(=O)C1=CC=CC=C1	InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1
HMDB41837	berberine chloride	[Cl-].COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3	InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1
HMDB41834	benzbromarone	CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1	InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
HMDB41835	benzidine	NC1=CC=C(C=C1)C1=CC=C(N)C=C1	InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
HMDB41832	baicalin	[H][C@]1(OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=CC=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21-/m0/s1
HMDB41833	barbituric acid	OC1=NC(=O)N=C(O)C1	InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
HMDB41830	atrazine	CCN=C1NC(NC(Cl)=N1)=NC(C)C	InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
HMDB41831	azosemide	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CS2)C(=C1)C1=NNN=N1	InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)
HMDB08893	PE(15:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,36H,3-12,14,16-35,39H2,1-2H3,(H,42,43)/b15-13-/t36-/m1/s1
HMDB08892	PE(15:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C38H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h36H,3-35,39H2,1-2H3,(H,42,43)/t36-/m1/s1
HMDB12204	Cis-zeatin	C\C(CO)=C/CNC1=NC=NC2=C1NC=N2	InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
HMDB12207	Cyclohex-1,5-diene-1-carboxyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCC=C1	InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1
HMDB12206	CMP-N-glycoloylneuraminate	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OC[C@H](O)[C@H](O)[C@@H]2O[C@@](O)(C[C@H](O)C2NC(=O)CO)C(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(34)22-10)17-15(31)14(30)9(40-17)6-39-42(36,37)38-5-8(27)13(29)16-12(23-11(28)4-25)7(26)3-20(35,41-16)18(32)33/h1-2,7-9,12-17,25-27,29-31,35H,3-6H2,(H,23,28)(H,32,33)(H,36,37)(H2,21,22,34)/t7-,8-,9+,12?,13-,14+,15+,16+,17+,20-/m0/s1
HMDB12201	Cis-zeatin-7-N-glucoside	C\C(CO)=C/CNC1=NC=NC2=C1N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1
HMDB08891	PE(15:0/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C36H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,34H,3-12,14,16-33,37H2,1-2H3,(H,40,41)/b15-13-/t34-/m1/s1
HMDB12203	Cis-zeatin-O-glucoside	C\C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/CNC1=NC=NC2=C1NC=N2	InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16+/m1/s1
HMDB12202	Cis-zeatin-9-N-glucoside	C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16+/m0/s1
HMDB12209	Diethylphosphate	CCOP(O)(=O)OCC	InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
HMDB12208	D-Erythro-imidazole-glycerol-phosphate	O[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N1	InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1
HMDB53725	TG(20:3n6/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38-39,41-42,64H,4-16,19,22-25,28,31-37,40,43-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,42-39-
HMDB53724	TG(20:3n6/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,61H,4-16,18-19,21-25,27-28,30-34,36-37,39-60H2,1-3H3/b20-17-,29-26-,38-35-
HMDB53727	TG(20:3n6/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,40,43,66H,4-16,19,22-25,28,31-39,41-42,44-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,43-40-
HMDB53726	TG(20:3n6/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38-39,41-42,47,50,64H,4-16,19,22-25,28,31-37,40,43-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-
HMDB53721	TG(20:3n6/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45,48,62H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-
HMDB53720	TG(20:3n6/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,62H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-
HMDB53723	TG(20:3n6/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,38,41-42,45,51,54,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,54-51-
HMDB53722	TG(20:3n6/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,38,41-42,45,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-
HMDB53729	TG(20:3n6/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,40,43-44,47,53,56,66H,4-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-
HMDB53728	TG(20:3n6/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,40,43-44,47,66H,4-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-
HMDB56539	CL(16:0/16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,28,32-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,26-27,29-31,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB56538	CL(16:0/16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,28,32-34,36,40,48,52,71-73,78H,5-20,22-24,26-27,29-31,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,32-28-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1
HMDB50269	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,38-39,42,48,51,60H,4-6,8-9,11-15,18,21-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-
HMDB50268	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-28,31-33,38,41,47,50,59H,4-6,8-9,11-13,15,18,20-22,24,29-30,34-37,39-40,42-46,48-49,51-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,41-38-,50-47-
HMDB50265	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,37-38,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-
HMDB50264	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,33,35-36,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB50267	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-28,30-33,37-38,40-41,46,49,58H,4-6,8-9,11-15,18,21-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-
HMDB50266	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-29,31-34,38,41,47,50,59H,4-6,8-9,11-15,17-18,21-22,24,26,30,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,50-47-
HMDB50261	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-28,30-33,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-
HMDB50260	TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,37,40,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,40-37-
HMDB50263	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,17-18,20-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB50262	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,39,42,48,51,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,42-39-,51-48-
HMDB54979	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-41,46-47,49-50,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,42-45,48,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-
HMDB54978	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-41,47,50,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,50-47-
HMDB54975	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35-37,39,43,46,56H,4-7,9-10,12-15,18,22-23,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-
HMDB54974	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,37,43,46,56H,4-7,9-10,12-15,18,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-
HMDB54977	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB54976	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-
HMDB54971	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,44-45,47-48,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-43,46,49-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-,48-45-
HMDB54970	TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-
HMDB54973	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-41,46-47,49-50,60H,4-15,18,22-23,29-30,35-37,42-45,48,51-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-
HMDB41392	1-Propenyl propyl disulfide	CCCSS\C=C/C	InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
HMDB00988	S-Adenosylmethioninamine	C[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14-,24?/m1/s1
HMDB00981	4a-Methyl-5a-cholesta-8,24-dien-3-one	[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C	InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1
HMDB00980	Dihydroneopterin triphosphate	NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(=O)N1	InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1
HMDB00982	5-Methylcytidine	CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N	InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1
HMDB00985	Dihydrolipoamide	OC(=N)CCCCC(S)CCS	InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)
HMDB32845	2-[Methyl(3-phenylpropanoyl)amino]benzoic acid	CN(C(=O)CCC1=CC=CC=C1)C1=CC=CC=C1C(O)=O	InChI=1S/C17H17NO3/c1-18(15-10-6-5-9-14(15)17(20)21)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)
HMDB48620	TG(16:1(9Z)/18:1(11Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h13,16,20-25,53H,4-12,14-15,17-19,26-52H2,1-3H3/b16-13-,23-20-,24-21-,25-22-
HMDB09357	PE(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,41H,3-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1
HMDB01169	4-Aminophenol	NC1=CC=C(O)C=C1	InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
HMDB09355	PE(20:3(8Z,11Z,14Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,41H,3-10,12,15,18,20-21,24-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,23-22-/t41-/m1/s1
HMDB09354	PE(20:3(8Z,11Z,14Z)/18:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,41H,3-10,12,14-16,18,20-21,24-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,23-22-/t41-/m1/s1
HMDB09353	PE(20:3(8Z,11Z,14Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,39H,3-10,12,15,19,21,23-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,22-20-/t39-/m1/s1
HMDB09352	PE(20:3(8Z,11Z,14Z)/16:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,39H,3-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-/t39-/m1/s1
HMDB09351	PE(20:3(8Z,11Z,14Z)/15:0)	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,38H,3-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-/t38-/m1/s1
HMDB09350	PE(20:3(8Z,11Z,14Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,37H,3-9,14-15,18,21-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-,20-19-/t37-/m1/s1
HMDB01160	Tricosanoic acid	CCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)
HMDB01161	4-Trimethylammoniobutanoic acid	C[N+](C)(C)CCCC(O)=O	InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
HMDB01162	Heme O	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(O)C1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C5/C=C6\N=C(\C=C\1/N\2[Fe]N45)C(C)=C6C=C)/C(CCC(O)=O)=C3C	InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;
HMDB01163	Guanosine diphosphate mannose	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1	InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1
HMDB01164	trans-1,2-Dihydrobenzene-1,2-diol	O[C@@H]1C=CC=C[C@H]1O	InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6-/m1/s1
HMDB01165	Keratan	CC(=O)N[C@@H]1[C@@H](O)C[C@@H](COS(O)(=O)=O)O[C@H]1O[C@H]1[C@@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H]3O)O[C@@H]2COS(O)(=O)=O)[C@@H]1O	InChI=1S/C28H48N2O32S4/c1-8(31)29-15-11(33)3-10(4-52-63(40,41)42)56-26(15)62-24-18(35)13(6-54-65(46,47)48)58-28(21(24)38)60-22-14(7-55-66(49,50)51)59-27(16(19(22)36)30-9(2)32)61-23-17(34)12(5-53-64(43,44)45)57-25(39)20(23)37/h10-28,33-39H,3-7H2,1-2H3,(H,29,31)(H,30,32)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,23-,24-,25+,26-,27-,28-/m0/s1
HMDB09359	PE(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,41H,3-5,7,9-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1
HMDB09358	PE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,41H,3-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t41-/m1/s1
HMDB40048	3,4-Dihydro-4-[(5-methyl-2-furanyl)methylene]-2H-pyrrole	CC1=CC=C(O1)\C=C1\CCN=C1	InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-3,6-7H,4-5H2,1H3/b9-6-
HMDB40049	1-[(5-Methyl-2-furanyl)methyl]pyrrolidine	CC1=CC=C(CN2CCCC2)O1	InChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3
HMDB40040	5H-Cyclopentapyrazine	C1C=CC2=C1N=CC=N2	InChI=1S/C7H6N2/c1-2-6-7(3-1)9-5-4-8-6/h1-2,4-5H,3H2
HMDB40041	2-Ethyl-5-methylpyridine	CCC1=CC=C(C)C=N1	InChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3
HMDB40042	3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole	CC1=CC=C(CC2=CNC=C2)O1	InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-5,7,11H,6H2,1H3
HMDB40043	3-(2-Furanylmethylene)pyrrolidine	C1C\C(CN1)=C\C1=CC=CO1	InChI=1S/C9H11NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-6,10H,3-4,7H2/b8-6-
HMDB40044	2-(5-Methyl-2-furanyl)pyrrolidine	CC1=CC=C(O1)C1CCCN1	InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3
HMDB40045	5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol	OCC1=CC=C(O1)\C=C1\CCN=C1	InChI=1S/C10H11NO2/c12-7-10-2-1-9(13-10)5-8-3-4-11-6-8/h1-2,5-6,12H,3-4,7H2/b8-5-
HMDB40046	1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedione	CC(=O)CCC(=O)C1=CC=C2CCCN12	InChI=1S/C12H15NO2/c1-9(14)4-7-12(15)11-6-5-10-3-2-8-13(10)11/h5-6H,2-4,7-8H2,1H3
HMDB40047	2,3-Dihydro-6-methyl-1H-pyrrolizine-5-carboxaldehyde	CC1=C(C=O)N2CCCC2=C1	InChI=1S/C9H11NO/c1-7-5-8-3-2-4-10(8)9(7)6-11/h5-6H,2-4H2,1H3
HMDB48219	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,40,43,56H,4-14,21-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB48218	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,56H,4-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB48215	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-31,34,37,55H,4-14,17,21-22,25,28,32-33,35-36,38-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-
HMDB48214	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,35,39,42,60H,4-14,16,19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,35-32-,42-39-
HMDB48217	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,29-30,34,37,55H,4-13,20-22,27-28,31-33,35-36,38-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,37-34-
HMDB48216	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-36,38,54H,4-14,21-23,27,31-32,34,37,39-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-
HMDB48211	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,56H,4-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-
HMDB48210	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,33,36,54H,4-14,17,20-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,36-33-
HMDB48213	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,31,33,37,40,58H,4-14,16,19,21-23,28-30,32,34-36,38-39,41-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,33-31-,40-37-
HMDB48212	TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31-32,34-35,38,40,43,56H,4-14,17,20-23,28,30,33,36-37,39,41-42,44-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-
HMDB06756	21-Hydroxy-5b-pregnane-3,11,20-trione	[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C	InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12-,14+,15+,16?,19-,20+,21+/m1/s1
HMDB06757	11b,21-Dihydroxy-5b-pregnane-3,20-dione	[H][C@@]12CCC(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C	InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14+,15+,16?,17+,19-,20+,21+/m1/s1
HMDB06754	11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al	[H][C@@]12CCC(C(=O)CO)C1(CC(O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C)C=O	InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13-,14+,15+,16?,17?,19-,20+,21?/m1/s1
HMDB06755	3a,21-Dihydroxy-5b-pregnane-11,20-dione	[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14+,15+,16?,19-,20+,21+/m1/s1
HMDB06752	Dihydroceramide	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC=O	InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)18(16-21)20-17-22/h17-19,21,23H,2-16H2,1H3,(H,20,22)/t18-,19+/m0/s1
HMDB06753	3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al	CC12CC[C@@H](O)CC1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O	InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12?,13-,14?,15?,16?,17?,19?,20?,21?/m1/s1
HMDB06750	Lactosylceramide (d18:1/16:0)	[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44+,45+,46-/m0/s1
HMDB47037	TG(24:0/15:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C66H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-43-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,63H,4-24,26,28-62H2,1-3H3/b27-25-
HMDB55375	TG(18:4(6Z,9Z,12Z,15Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,54H,4-6,9,12-15,18,21-24,27,30-33,36,39-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-
HMDB55376	TG(18:4(6Z,9Z,12Z,15Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30,32,34,36,39,56H,4-6,9,12-15,18,21-24,27,29,31,33,35,37-38,40-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-
HMDB55377	TG(18:4(6Z,9Z,12Z,15Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30,32,34,36,39-40,43,56H,4-6,9,12-15,18,21-24,27,29,31,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,39-36-,43-40-
HMDB55370	TG(18:4(6Z,9Z,12Z,15Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33-34,37,54H,4-6,9,12-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-
HMDB55371	TG(18:4(6Z,9Z,12Z,15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33-34,37-38,41,54H,4-6,9,12-15,18,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB06758	17a,21-Dihydroxy-5b-pregnane-3,11,20-trione	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1
HMDB06759	3a-Hydroxy-5b-pregnane-20-one	[H][C@]12CCC3C4CC[C@H](C(C)=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](O)C2	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16?,17-,18?,19?,20+,21-/m1/s1
HMDB57505	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-35,37-39,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB42307	TG(14:0/16:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB04668	13-OxoODE	CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
HMDB04669	9-OxoODE	CCCCC\C=C/C=C/C(=O)CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
HMDB54029	TG(20:4(5Z,8Z,11Z,14Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,39,42,55H,4-6,8-9,11-15,18,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB01299	5-Methylthioribulose 1-phosphate	CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O	InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1
HMDB01296	Maltotetraose	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1
HMDB01297	Norcotinine	O=C1CCC(N1)C1=CN=CC=C1	InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
HMDB01294	2,3-Diphosphoglyceric acid	OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O	InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
HMDB04667	13S-hydroxyoctadecadienoic acid	CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1
HMDB01292	1-Deoxy-D-xylulose	OC[C@@H]1OC[C@@H](O)[C@@H]1O	InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5+/m1/s1
HMDB54022	TG(20:4(5Z,8Z,11Z,14Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,36,39,53H,4-15,17-18,20-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b19-16-,26-24-,31-29-,39-36-
HMDB01290	Glutaconyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCC(O)=O	InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b5-3+
HMDB01291	trans-D-Decenoyl-CoA	CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+
HMDB57282	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-34,36-37,40-43,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,35,38-39,44-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57283	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,27-29,31-32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57280	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25,27-28,31-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26,29-30,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57281	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-20,23-24,27,29-31,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB57286	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-20,23-24,28-30,32,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB57287	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,37-38,41-44,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35-36,39-40,45-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57284	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,27,29,31,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57285	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-20,22-24,27-29,31-32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57288	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-34,37,39-41,48,52,60,64,79-81,86H,5-20,22-24,26-32,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57289	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-34,37,39-41,48,52,60,64,79-81,86H,5-20,22-24,26-27,29-31,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB51617	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,38-39,41,47,50,62H,4-16,18-19,21-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB51616	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,37,40,46,49,61H,4-14,16-17,19-23,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,40-37-,49-46-
HMDB51615	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,36,39-40,43,45,48,60H,4-17,19-20,22-24,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,39-36-,43-40-,48-45-
HMDB51614	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,35,37,40,46,49,61H,4-20,22-23,27,31-34,36,38-39,41-45,47-48,50-60H2,1-3H3/b24-21-,28-25-,29-26-,35-30-,40-37-,49-46-
HMDB51613	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,42,45,51,54,66H,4-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b28-25-,29-26-,30-27-,45-42-,54-51-
HMDB51612	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,40,43,49,52,64H,4-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b28-25-,29-26-,30-27-,43-40-,52-49-
HMDB51611	TG(22:1(13Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,61H,4-24,27,30-60H2,1-3H3/b28-25-,29-26-
HMDB51610	TG(22:1(13Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,41,44,50,53,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-
HMDB48624	TG(16:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,34,37,56H,4-15,17-18,22,26,28,31-33,35-36,38-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,37-34-
HMDB51619	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,40,43,49,52,64H,4-15,17-18,20-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB51618	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,36,38-39,41,45,47-48,50,62H,4-16,18-19,21-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46658	TG(22:0/18:3(6Z,9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,36,39,54H,4-14,16,19,21-24,26-29,31-35,37-38,40-53H2,1-3H3/b18-15-,20-17-,30-25-,39-36-
HMDB48625	TG(16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,29-30,34,37,43,46,56H,4-15,17-18,22,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-29-,37-34-,46-43-
HMDB35912	Pomonic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O	InChI=1S/C30H46O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-21,23,34H,9-17H2,1-7H3,(H,32,33)
HMDB35913	beta-Farnesene	CC(C)=CCC\C(C)=C/CCC(=C)C=C	InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-
HMDB35910	3-Cedranol; 3b-form, Ac	CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O	InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3
HMDB35911	Cyclolaudenol	CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3
HMDB35916	(E)-2-Nonen-4-one	CCCCCC(=O)\C=C/C	InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h4,7H,3,5-6,8H2,1-2H3/b7-4-
HMDB35917	Momordicoside L	CC(C\C=C\C(C)(C)O)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O	InChI=1S/C36H58O9/c1-20(9-8-13-32(2,3)43)21-12-14-35(7)30-24(44-31-29(42)28(41)27(40)25(18-37)45-31)17-23-22(10-11-26(39)33(23,4)5)36(30,19-38)16-15-34(21,35)6/h8,13,17,19-22,24-31,37,39-43H,9-12,14-16,18H2,1-7H3/b13-8+
HMDB35914	Aflatoxin P1	OC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2	InChI=1S/C16H10O6/c17-8-2-1-6-11-9(18)5-10-13(7-3-4-20-16(7)21-10)14(11)22-15(19)12(6)8/h3-5,7,16,18H,1-2H2
HMDB35915	Sulcatone	CC(C)=CCCC(C)=O	InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
HMDB35918	7(14)-Bisabolene-2,3,10,11-tetrol	CC(C)(O)C(O)CCC(=C)C1CCC(C)(O)C(O)C1	InChI=1S/C15H28O4/c1-10(5-6-12(16)14(2,3)18)11-7-8-15(4,19)13(17)9-11/h11-13,16-19H,1,5-9H2,2-4H3
HMDB35919	Corchorifatty acid F	CC\C=C/CC(O)C(O)\C=C\C(O)CCCCCCCC(O)=O	InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+
HMDB53664	TG(20:3n6/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,53H,4-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b19-16-,26-24-,31-29-
HMDB41799	2,4-toluenediamine	CC1=C(N)C=C(N)C=C1	InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3
HMDB41798	2,4-dinitrophenylhydrazine	NNC1=C(C=C(C=C1)N(=O)=O)N(=O)=O	InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2
HMDB48626	TG(16:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,52H,4-6,8-9,11-15,17-18,22,26,28-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-
HMDB56889	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-48,51-52,59-60,63-64,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,49-50,53-58,61-62,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,63-59-,64-60-/t79?,80-,81-/m1/s1
HMDB53665	TG(20:3n6/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,55H,4-15,18,21-24,29-30,35-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-
HMDB41793	1-aminopyrene	NC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4	InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
HMDB41792	1,3-butadiene	C=CC=C	InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
HMDB41791	1,1,1-trichloroethane	CC(Cl)(Cl)Cl	InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
HMDB41790	Violanone	COC1=C(C=CC(CO)=C1O)C1COC2=C(C=CC(O)=C2)C1=O	InChI=1S/C17H16O6/c1-22-17-11(4-2-9(7-18)15(17)20)13-8-23-14-6-10(19)3-5-12(14)16(13)21/h2-6,13,18-20H,7-8H2,1H3
HMDB41797	2,4-dichlorophenoxyacetic acid	OC(=O)COC1=C(Cl)C=C(Cl)C=C1	InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
HMDB41796	2,2,2-trichloroethanol	OCC(Cl)(Cl)Cl	InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
HMDB41795	19-noraldosterone	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])[C@@]([H])(O)C[C@]12C=O)C(=O)CO	InChI=1S/C20H26O5/c21-9-18(25)16-6-5-15-14-3-1-11-7-12(23)2-4-13(11)19(14)17(24)8-20(15,16)10-22/h7,10,13-17,19,21,24H,1-6,8-9H2/t13-,14-,15-,16+,17-,19+,20+/m0/s1
HMDB41794	1-chlorobutane	CCCCCl	InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
HMDB07409	DG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,34,36,43,46H,3-10,12,14-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m0/s1
HMDB07408	DG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,43,46H,3-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,30-28-/t43-/m0/s1
HMDB53667	TG(20:3n6/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,35,57H,4-15,18,21-24,29-32,34,36-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-33-
HMDB07401	DG(20:1(11Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,41,44H,3-11,13,15-16,21-23,25,27-40H2,1-2H3/b14-12-,19-17-,20-18-,26-24-/t41-/m0/s1
HMDB07400	DG(20:1(11Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,24,26,30,32,41,44H,3-16,21-23,25,27-29,31,33-40H2,1-2H3/b19-17-,20-18-,26-24-,32-30-/t41-/m0/s1
HMDB07403	DG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,41,44H,3-5,7,9-11,13,15-16,21-23,25,27-40H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,26-24-/t41-/m0/s1
HMDB07402	DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,41,44H,3-11,13,15-16,21-23,25,27-29,31,33-40H2,1-2H3/b14-12-,19-17-,20-18-,26-24-,32-30-/t41-/m0/s1
HMDB07405	DG(20:1(11Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,43,46H,3-17,19,21-42H2,1-2H3/b20-18-/t43-/m0/s1
HMDB07404	DG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,41,44H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-40H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t41-/m0/s1
HMDB07407	DG(20:1(11Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43,46H,3-10,12,14-16,21-42H2,1-2H3/b13-11-,19-17-,20-18-/t43-/m0/s1
HMDB07406	DG(20:1(11Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,43,46H,3-16,21-42H2,1-2H3/b19-17-,20-18-/t43-/m0/s1
HMDB48627	TG(16:1(9Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,33,36,52H,4-6,8-9,11-15,17-18,22,26,28-32,34-35,37-51H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,36-33-
HMDB53662	TG(20:3n6/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB53663	TG(20:3n6/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,43,46,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-
HMDB33459	Flazine	OCC1=CC=C(O1)C1=NC(=CC2=C1NC1=C2C=CC=C1)C(O)=O	InChI=1S/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)
HMDB33458	N-Carbamoylputrescine	NCCCCNC(N)=O	InChI=1S/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9)
HMDB33455	2-Hydroxy-3-methyl-9H-carbazole	CC1=CC2=C(NC3=CC=CC=C23)C=C1O	InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13(8)15/h2-7,14-15H,1H3
HMDB33454	3alpha-Tigloyloxytropane N-oxide	C\C=C(/C)C(=O)OC1CC2CCC(C1)N2(C)=O	InChI=1S/C13H21NO3/c1-4-9(2)13(15)17-12-7-10-5-6-11(8-12)14(10,3)16/h4,10-12H,5-8H2,1-3H3/b9-4+
HMDB33457	Flazine methyl ether	COCC1=CC=C(O1)C1=NC(=CC2=C1NC1=C2C=CC=C1)C(O)=O	InChI=1S/C18H14N2O4/c1-23-9-10-6-7-15(24-10)17-16-12(8-14(20-17)18(21)22)11-4-2-3-5-13(11)19-16/h2-8,19H,9H2,1H3,(H,21,22)
HMDB33456	2-Methoxy-3-methyl-9H-carbazole	COC1=CC2=C(C=C1C)C1=CC=CC=C1N2	InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-13(11)8-14(9)16-2/h3-8,15H,1-2H3
HMDB33451	Cadabicine	OC1=CC=C2C=C1OC1=CC=C(C=C1)\C=C\C(=O)NCCCNCCCCNC(=O)\C=C\2	InChI=1S/C25H29N3O4/c29-22-11-6-20-8-13-25(31)27-16-2-1-14-26-15-3-17-28-24(30)12-7-19-4-9-21(10-5-19)32-23(22)18-20/h4-13,18,26,29H,1-3,14-17H2,(H,27,31)(H,28,30)/b12-7+,13-8+
HMDB33450	Retrofractamide D	CC(C)CNC(=O)\C=C\C=C\CCC\C=C\C1=CC2=C(OCO2)C=C1	InChI=1S/C21H27NO3/c1-17(2)15-22-21(23)11-9-7-5-3-4-6-8-10-18-12-13-19-20(14-18)25-16-24-19/h5,7-14,17H,3-4,6,15-16H2,1-2H3,(H,22,23)/b7-5+,10-8+,11-9+
HMDB33453	Fagomine	OCC1NCCC(O)C1O	InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2
HMDB33452	Koenoline	COC1=CC(CO)=CC2=C1NC1=C2C=CC=C1	InChI=1S/C14H13NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-7,15-16H,8H2,1H3
HMDB46073	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-
HMDB46072	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,52,55,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,55-52-
HMDB46071	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,50,53,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB46070	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32,35-36,39,41,44,50,53,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,53-50-
HMDB46077	TG(20:0/18:3(9Z,12Z,15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,36,62H,4-8,10-11,13-17,19-20,22-26,28-35,37-61H2,1-3H3/b12-9-,21-18-,36-27-
HMDB46076	TG(20:0/18:3(9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-59H2,1-3H3/b12-9-,21-18-,34-27-
HMDB46075	TG(20:0/18:3(9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,32,58H,4-8,10-11,13-17,19-20,22-26,28-31,33-57H2,1-3H3/b12-9-,21-18-,32-27-
HMDB46074	TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,39,42,48,51,61H,4-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,28-25-,34-32-,42-39-,51-48-
HMDB46079	TG(20:0/18:3(9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-
HMDB46078	TG(20:0/18:3(9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-
HMDB55173	TG(18:3(9Z,12Z,15Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-32,36,39,58H,4-6,9,12-15,18,21-24,27,29,33-35,37-38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-
HMDB55170	TG(18:3(9Z,12Z,15Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34,37,54H,4-6,9,12-15,18,21-24,27,30-33,35-36,38-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-
HMDB51316	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,37-38,41-43,45-46,60H,4-6,8,11,13-15,17,20,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB55844	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,9,12-15,18,21-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB03470	N-Formyl-L-glutamic acid	OC(=O)CC[C@H](NC=O)C(O)=O	InChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
HMDB03474	3,5-Diiodo-L-tyrosine	N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(O)=O	InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
HMDB39118	Delphinidin 3-sophoroside 5-glucoside	OCC1OC(OC2C(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O22/c34-6-17-21(41)24(44)27(47)31(52-17)50-15-4-10(37)3-14-11(15)5-16(29(49-14)9-1-12(38)20(40)13(39)2-9)51-33-30(26(46)23(43)19(8-36)54-33)55-32-28(48)25(45)22(42)18(7-35)53-32/h1-5,17-19,21-28,30-36,41-48H,6-8H2,(H3-,37,38,39,40)/p+1
HMDB39119	L-Dopaquinone	NC(CC1=CC(=O)C(=O)C=C1)C(O)=O	InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)
HMDB39116	Tartrazine; Tri-Na salt	[Na+].[Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(=NN1C1=CC=C(C=C1)S([O-])(=O)=O)C([O-])=O	InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;
HMDB39117	Tartrazine; Ca lake	[Ca++].OC(=O)C1=NN(C(O)=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O	InChI=1S/C16H12N4O9S2.Ca/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;+2/b18-17+;
HMDB39114	3,23-Dihydroxy-12-oleanene-28,30-dioic acid; 3b-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;2)-b-D-glucopyranoside], 28-O-b-D-glucopyranosyl ester, 30-Me ester	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H86O25/c1-49(47(69)71-6)13-15-54(48(70)79-45-39(67)36(64)33(61)27(19-56)74-45)16-14-52(4)23(24(54)17-49)7-8-30-50(2)11-10-31(51(3,22-58)29(50)9-12-53(30,52)5)76-46-42(37(65)34(62)28(20-57)75-46)78-43-40(68)41(25(59)21-72-43)77-44-38(66)35(63)32(60)26(18-55)73-44/h7,24-46,55-68H,8-22H2,1-6H3
HMDB39115	Camellioside D	CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1	InChI=1S/C54H88O24/c1-49(2)14-15-54(21-58)23(16-49)22-8-9-28-51(5)12-11-30(50(3,4)27(51)10-13-52(28,6)53(22,7)17-29(54)59)74-48-43(78-46-38(67)35(64)32(61)25(19-56)72-46)40(39(68)41(76-48)44(69)70)75-47-42(36(65)33(62)26(20-57)73-47)77-45-37(66)34(63)31(60)24(18-55)71-45/h8,23-43,45-48,55-68H,9-21H2,1-7H3,(H,69,70)
HMDB39112	Saponin S13	CCC(C)C(=O)OC1C(C)OC(OC(=O)C23CCC(C)(CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(COC(C)=O)C5CCC4(C)C2(C)CC3)C(=O)OC)C(OC2OC(C)C(O)C(OC(=O)C(C)CC)C2OC(C)=O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C75H116O34/c1-15-31(3)61(91)103-53-34(6)98-67(59(57(53)107-64-52(88)48(84)46(82)40(29-77)101-64)108-66-58(99-36(8)79)54(44(80)33(5)97-66)104-62(92)32(4)16-2)109-69(94)75-25-23-70(9,68(93)95-14)27-38(75)37-17-18-42-71(10)21-20-43(72(11,30-96-35(7)78)41(71)19-22-74(42,13)73(37,12)24-26-75)102-65-56(50(86)49(85)55(105-65)60(89)90)106-63-51(87)47(83)45(81)39(28-76)100-63/h17,31-34,38-59,63-67,76-77,80-88H,15-16,18-30H2,1-14H3,(H,89,90)
HMDB39113	3,23-Dihydroxy-12-oleanene-28,30-dioic acid; 3b-form, 3-O-[a-L-Arabinopyranosyl-(1-&gt;3)-b-D-glucuronopyranoside], 28-O-b-D-glucopyranosyl ester, 30-Me ester	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C48H74O21/c1-43(41(61)63-6)13-15-48(42(62)69-39-32(56)30(54)29(53)24(18-49)65-39)16-14-46(4)21(22(48)17-43)7-8-26-44(2)11-10-27(45(3,20-50)25(44)9-12-47(26,46)5)66-40-34(58)35(33(57)36(68-40)37(59)60)67-38-31(55)28(52)23(51)19-64-38/h7,22-36,38-40,49-58H,8-20H2,1-6H3,(H,59,60)
HMDB39110	(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid	NC(CCN1C(CCC1=O)C(O)=O)C(O)=O	InChI=1S/C9H14N2O5/c10-5(8(13)14)3-4-11-6(9(15)16)1-2-7(11)12/h5-6H,1-4,10H2,(H,13,14)(H,15,16)
HMDB39111	L-Acetopine	NC(=N)NCCCC(NCC(O)=O)C(O)=O	InChI=1S/C8H16N4O4/c9-8(10)11-3-1-2-5(7(15)16)12-4-6(13)14/h5,12H,1-4H2,(H,13,14)(H,15,16)(H4,9,10,11)
HMDB31343	Cyclohexanecarboxylic acid, 9CI; Me ester	COC(=O)C1CCCCC1	InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
HMDB31342	Cyclohexanecarboxylic acid	OC(=O)C1CCCCC1	InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
HMDB31341	Cyclododecanone	O=C1CCCCCCCCCCC1	InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
HMDB31340	Cyclamic acid	OS(=O)(=O)NC1CCCCC1	InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
HMDB31347	2-O-Caffeoylarbutin	OCC1OC(OC2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C1O	InChI=1S/C21H22O10/c22-10-16-18(27)19(28)20(21(30-16)29-13-5-3-12(23)4-6-13)31-17(26)8-2-11-1-7-14(24)15(25)9-11/h1-9,16,18-25,27-28H,10H2/b8-2+
HMDB31346	Calystegine C1	OC1CC2(O)NC1C(O)C(O)C2O	InChI=1S/C7H13NO5/c9-2-1-7(13)6(12)5(11)4(10)3(2)8-7/h2-6,8-13H,1H2
HMDB31345	Calystegine A6	OC1CC2CCC(O)C1(O)N2	InChI=1S/C7H13NO3/c9-5-2-1-4-3-6(10)7(5,11)8-4/h4-6,8-11H,1-3H2
HMDB31344	1,2-Cyclohexanedione	OC1=CCCCC1=O.O=C1CCCCC1=O	InChI=1S/2C6H8O2/c2*7-5-3-1-2-4-6(5)8/h1-4H2;3,7H,1-2,4H2
HMDB31349	Epiacoronene	CC(C)C1C(=O)CC(C)C11CC=C(C)C(=O)C1	InChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3
HMDB32323	Hexylamine	CCCCCCN	InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
HMDB55845	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,40,43,63H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,43-40-
HMDB30432	Linalyl cinnamate	CC(C)=CCCC(C)(OC(=O)\C=C\C1=CC=CC=C1)C=C	InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+
HMDB30433	Linalyl anthranilate	CC(C)=CCCC(C)(OC(=O)C1=C(N)C=CC=C1)C=C	InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3
HMDB30430	Linalyl caprylate	CCCCCCCC(=O)OC(C)(CCC=C(C)C)C=C	InChI=1S/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3
HMDB30431	Linalyl benzoate	CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1)C=C	InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
HMDB30436	Emblicanin B	OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1C(COC2=O)OC(=O)C2=C1OC(=O)C1=C(C(O)=C(O)C(O)=C1)C1=C(O)C(O)=C(O)C=C1C(=O)O2	InChI=1S/C34H20O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27,35-46H,5H2
HMDB30437	Emblicanin A	OC1=CC(=CC(O)=C1O)C(=O)OC1=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(=O)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12	InChI=1S/C34H22O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27,35-46H,7H2
HMDB30434	Loquatifolin A	CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C2OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+
HMDB30435	Simulansamide	COC1=CC2=CC=C(C3=CC=C(OC)C(OC)=C3O)C(N(C)C=O)=C2C=C1OC	InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3
HMDB45810	TG(20:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,36-37,39,45,48,60H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,39-36-,48-45-
HMDB45811	TG(20:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17-18,20-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB30438	Rollinecin A	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3
HMDB30439	Fragransol D	COC1=CC(=CC2=C1OCO2)C1OC2=C(C=C(\C=C\CO)C=C2OC)C1C	InChI=1S/C21H22O6/c1-12-15-7-13(5-4-6-22)8-16(23-2)20(15)27-19(12)14-9-17(24-3)21-18(10-14)25-11-26-21/h4-5,7-10,12,19,22H,6,11H2,1-3H3/b5-4+
HMDB37428	Kaempferol 3-sophorotrioside 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C39H50O25/c1-11-21(45)26(50)30(54)36(56-11)57-14-6-15(44)20-16(7-14)58-32(12-2-4-13(43)5-3-12)33(25(20)49)62-38-35(29(53)24(48)18(9-41)60-38)64-39-34(28(52)23(47)19(10-42)61-39)63-37-31(55)27(51)22(46)17(8-40)59-37/h2-7,11,17-19,21-24,26-31,34-48,50-55H,8-10H2,1H3
HMDB37429	Astragalin	OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
HMDB45816	TG(20:0/22:1(13Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,64H,4-25,27-28,30-63H2,1-3H3/b29-26-
HMDB45817	TG(20:0/22:1(13Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,66H,4-25,27-28,30-65H2,1-3H3/b29-26-
HMDB40826	Medinoside E	CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	InChI=1S/C54H88O23/c1-22-31(59)34(62)39(67)45(70-22)75-41-35(63)32(60)25(19-55)71-46(41)76-42-36(64)33(61)26(20-56)72-47(42)77-43-38(66)37(65)40(44(68)69)74-48(43)73-30-12-13-51(5)27(52(30,6)21-57)11-14-54(8)28(51)10-9-23-24-17-49(2,3)18-29(58)50(24,4)15-16-53(23,54)7/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)
HMDB40827	4',5,6,7-Tetrahydroxyflavone; 7-O-[b-D-Glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	OC1C(O)C(OC2C(O)C(O)C(OC2OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)OC(C1O)C(O)=O	InChI=1S/C27H26O18/c28-8-3-1-7(2-4-8)10-5-9(29)13-11(41-10)6-12(14(30)15(13)31)42-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-28,30-36H,(H,37,38)(H,39,40)
HMDB40824	5-Megastigmene-3,9-diol; (3x,9x)-form, 3-O-b-D-Glucopyranoside	CC(O)CCC1=C(C)CC(CC1(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3
HMDB40825	3-(2-Hydroxyethyl)indole; O-[b-D-Xylopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	OC1COC(OCC2OC(OCCC3=CNC4=C3C=CC=C4)C(O)C(O)C2O)C(O)C1O	InChI=1S/C21H29NO10/c23-13-8-30-20(18(27)15(13)24)31-9-14-16(25)17(26)19(28)21(32-14)29-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,13-28H,5-6,8-9H2
HMDB40822	2,3-Butanediol, 9CI; (2x,3x)-form, O-b-D-Glucopyranoside	CC(O)C(C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C10H20O7/c1-4(12)5(2)16-10-9(15)8(14)7(13)6(3-11)17-10/h4-15H,3H2,1-2H3
HMDB40823	(S)-11,12,13-Trinor-7-calamenone	CC1CCC(=O)C2=C1C=CC(C)=C2	InChI=1S/C12H14O/c1-8-3-5-10-9(2)4-6-12(13)11(10)7-8/h3,5,7,9H,4,6H2,1-2H3
HMDB40820	Nb-Pentacosanoyltryptamine	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C35H60N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35(38)36-30-29-32-31-37-34-27-25-24-26-33(32)34/h24-27,31,37H,2-23,28-30H2,1H3,(H,36,38)
HMDB40821	Nb-Hexacosanoyltryptamine	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=CC=C2	InChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39)
HMDB55842	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,36,38-39,41,45,48,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35,37,40,42-44,46-47,49-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-
HMDB40828	(2S,3S,4R)-3,4,4',7-Tetrahydroxyflavan	OC1C(O)C2=CC=C(O)C=C2OC1C1=CC=C(O)C=C1	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,13-19H
HMDB40829	Alliin; (R)C(S)S-form, N-(1-Deoxy-b-D-fructopyranosyl)	OC1COC(O)(CNC(CS(=O)CC=C)C(O)=O)C(O)C1O	InChI=1S/C12H21NO8S/c1-2-3-22(20)5-7(11(17)18)13-6-12(19)10(16)9(15)8(14)4-21-12/h2,7-10,13-16,19H,1,3-6H2,(H,17,18)
HMDB32492	2-Propionylpyrrole	CCC(=O)C1=CC=CN1	InChI=1S/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3
HMDB32493	2-Propionyl-2-thiazoline	CCC(=O)C1=NCCS1	InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3
HMDB01939	Medroxyprogesterone	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C	InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
HMDB01938	Lisinopril	NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O	InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
HMDB32496	Propyl propane thiosulfonate	COC(=O)C(C1CCCC(=O)C1)C(=O)OC	InChI=1S/C11H16O5/c1-15-10(13)9(11(14)16-2)7-4-3-5-8(12)6-7/h7,9H,3-6H2,1-2H3
HMDB32497	2-Propylpyridine	CCCC1=CC=CC=N1	InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
HMDB32494	Propylene glycol mono- and diesters of fats and fatty acids	CCCCCCCCCCCCCCC(=O)OC(C)COC(=O)CCCCCCCCCCCCC	InChI=1S/C32H62O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32(34)36-30(3)29-35-31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h30H,4-29H2,1-3H3
HMDB32495	Propyl 2-mercaptopropionate	CCCOC(=O)C(C)S	InChI=1S/C6H12O2S/c1-3-4-8-6(7)5(2)9/h5,9H,3-4H2,1-2H3
HMDB01933	Furosemide	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O	InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
HMDB01932	Metoprolol	COCCC1=CC=C(OCC(O)CNC(C)C)C=C1	InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
HMDB32498	Pseudoionone	CC(C)=CCCC(C)=CC=CC(C)=O	InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
HMDB32499	Pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine	CC1SC2CCCN2C(C)S1	InChI=1S/C8H15NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h6-8H,3-5H2,1-2H3
HMDB01937	Salbutamol	CC(C)(C)NC[C@H](O)C1=CC(CO)=C(O)C=C1	InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
HMDB01936	Doxylamine	CN(C)CCOC(C)(C1=CC=CC=C1)C1=NC=CC=C1	InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
HMDB01935	Warfarin	CC(=O)CC(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O	InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3
HMDB01934	L(-)-Nicotine pestanal	CN1CCC[C@H]1C1=CN=CC=C1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
HMDB55843	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43-44,46-47,66H,4-6,9,12-15,18,21-24,31-33,36,39-42,45,48-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB57472	CL(16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,46-43-/t75?,76-,77-/m1/s1
HMDB53661	TG(20:3n6/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,37,40,54H,4-6,8-9,11-15,18,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-
HMDB08743	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,32,34,38,40,50H,6-7,9,11-13,15,17-19,24-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,34-32-,40-38-/t50-/m1/s1
HMDB08742	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,32,34,38,40,50H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,34-32-,40-38-/t50-/m1/s1
HMDB08741	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,35-38,48H,6-7,12-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1
HMDB08740	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,36,38,48H,6-7,12-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,38-36-/t48-/m1/s1
HMDB08747	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38,40,50H,6-7,12-13,18-19,24-25,30-31,36-37,39,41-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-/t50-/m1/s1
HMDB08746	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,38-41,50H,6-7,9,11-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1
HMDB08745	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,38,40,50H,6-7,9,11-13,18-19,24-25,30-31,36-37,39,41-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-/t50-/m1/s1
HMDB08744	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,32,34,38,40,50H,6-7,9,11-13,18-19,24-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,34-32-,40-38-/t50-/m1/s1
HMDB08749	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,30,34,36,40,42,52H,6-8,10,12-14,16,18-20,22,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b11-9-,17-15-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1
HMDB08748	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1
HMDB45357	TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,33,36,57H,4-6,8-9,11-13,15,18,20-22,24,27,29-32,34-35,37-56H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,36-33-
HMDB45356	TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28,30,32,35-36,39,56H,4-6,8-9,11-15,18,21-24,27,29,31,33-34,37-38,40-55H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-
HMDB45355	TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,36,57H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34-35,37-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,36-33-
HMDB38641	1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone	CSC1=NC(CC(C)=O)C2=C(NC3=C2C=CC=C3)S1	InChI=1S/C14H14N2OS2/c1-8(17)7-11-12-9-5-3-4-6-10(9)15-13(12)19-14(16-11)18-2/h3-6,11,15H,7H2,1-2H3
HMDB38640	1,6-Dimethoxy-9H-carbazole-3-carboxaldehyde	COC1=CC2=C(NC3=C2C=C(C=O)C=C3OC)C=C1	InChI=1S/C15H13NO3/c1-18-10-3-4-13-11(7-10)12-5-9(8-17)6-14(19-2)15(12)16-13/h3-8,16H,1-2H3
HMDB38643	Epoxyfumitremorgin C	COC1=CC2=C(C=C1)C1=C(N2)C(C=C(C)C)N2C(=O)C3CCCN3C(=O)C22OC12	InChI=1S/C22H23N3O4/c1-11(2)9-16-18-17(13-7-6-12(28-3)10-14(13)23-18)19-22(29-19)21(27)24-8-4-5-15(24)20(26)25(16)22/h6-7,9-10,15-16,19,23H,4-5,8H2,1-3H3
HMDB38642	Fumitremorgin C	COC1=CC=C2C(NC3=C2C[C@@H]2N([C@H]3C=C(C)C)C(=O)[C@@H]3CCCN3C2=O)=C1	InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
HMDB38645	(2E,8E)-Piperamide-C9:2	O=C(\C=C\CCCC\C=C/C1=CC=C2OCOC2=C1)N1CCCC1	InChI=1S/C20H25NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5-6,9-12,15H,1-4,7-8,13-14,16H2/b9-5-,10-6+
HMDB38644	(2E,4E,8E)-Piperamide-C9:3	O=C(\C=C\C=C\CC\C=C/C1=CC=C2OCOC2=C1)N1CCCC1	InChI=1S/C20H23NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h2,4-6,9-12,15H,1,3,7-8,13-14,16H2/b4-2+,9-5-,10-6+
HMDB38647	(2E,6E)-Piperamide-C7:2	O=C(\C=C\CC\C=C/C1=CC=C2OCOC2=C1)N1CCCC1	InChI=1S/C18H21NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3-4,7-10,13H,1-2,5-6,11-12,14H2/b7-3-,8-4+
HMDB38646	(8E)-Piperamide-C9:1	O=C(CCCCCC\C=C/C1=CC=C2OCOC2=C1)N1CCCC1	InChI=1S/C20H27NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5-
HMDB38649	()-Clausenamide	CN1C(C(O)C2=CC=CC=C2)C(C(O)C1=O)C1=CC=CC=C1	InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3
HMDB38648	(6E)-Piperamide-C7:1	O=C(CCCC\C=C/C1=CC=C2OCOC2=C1)N1CCCC1	InChI=1S/C18H23NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3,7,9-10,13H,1-2,4-6,8,11-12,14H2/b7-3-
HMDB45352	TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33-34,36-37,42,45,58H,4-7,9-10,12-16,18-19,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB43948	TG(16:0/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB57506	CL(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C76H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25-27,29-31,34-35,70-72,77H,5-24,28,32-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,30-26-,31-27-,35-34-/t70?,71-,72-/m1/s1
HMDB45351	TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,58H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-
HMDB40364	()-Glycerol 1-monophosphate Mn salt (1:1)	[Mn++].OCC(O)COP([O-])([O-])=O	InChI=1S/C3H9O6P.Mn/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
HMDB45350	TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,30,32,35,56H,4-6,8-9,11-15,17-18,20-24,27,29,31,33-34,36-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,35-32-
HMDB51268	TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-36,39-40,43,45,48-49,52,61H,4-15,17-18,20,22-23,27,31,33,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-,52-49-
HMDB36777	Diosbulbin B	CC12CC(OC11CC(OC1=O)C1C3CC(CC21)OC3=O)C1=COC=C1	InChI=1S/C19H20O6/c1-18-6-13(9-2-3-22-8-9)25-19(18)7-14(24-17(19)21)15-11-4-10(5-12(15)18)23-16(11)20/h2-3,8,10-15H,4-7H2,1H3
HMDB36776	Yucalexin A19	CC1(C)C(O)C(=O)CC2(C)C1CCC13CC(C)(O)C(CC21)C=C3	InChI=1S/C20H30O3/c1-17(2)14-6-8-20-7-5-12(19(4,23)11-20)9-15(20)18(14,3)10-13(21)16(17)22/h5,7,12,14-16,22-23H,6,8-11H2,1-4H3
HMDB36775	Yucalexin A16	CC1(O)CC23CCC4C(C)(C)C(=O)CCC4(C)C2CC1C=C3	InChI=1S/C20H30O2/c1-17(2)14-6-10-20-9-5-13(19(4,22)12-20)11-15(20)18(14,3)8-7-16(17)21/h5,9,13-15,22H,6-8,10-12H2,1-4H3
HMDB36774	Sebiferic acid	CC(=C)C1CCC2(C)C1CCC1(C)C2CCC2C(C)(CCC(O)=O)C(CCC12C)C(C)=C	InChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)
HMDB36773	Tavulin	C\C1=C/C(O)C2C(OC(=O)C2=C)\C=C(C)\C(O)CC1	InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6-7,11-14,16-17H,3-5H2,1-2H3/b8-6+,9-7+
HMDB36772	Glechomafuran	CC1=COC2=C1CC1OC1(C)CCC1OC1(C)C2	InChI=1S/C15H20O3/c1-9-8-16-11-7-15(3)12(17-15)4-5-14(2)13(18-14)6-10(9)11/h8,12-13H,4-7H2,1-3H3
HMDB36771	Laurenobiolide	CC(=O)OC1\C=C(C)/CC\C=C(C)/CC2OC(=O)C(=C)C12	InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8-,11-7-
HMDB36770	Desacetyllaurenobiolide	C\C1=C\CC\C(C)=C/C(O)C2C(C1)OC(=O)C2=C	InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7-,10-6-
HMDB36779	Diosbulbin E	CC12CC(OC(=O)C1CC(O)C1C3CC(CC21)OC3=O)C1=COC=C1	InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-16,20H,4-7H2,1H3
HMDB36778	Diosbulbin C	CC12CC(OC11CC(OC1=O)C1C(CC(O)CC21)C(O)=O)C1=COC=C1	InChI=1S/C19H22O7/c1-18-6-13(9-2-3-24-8-9)26-19(18)7-14(25-17(19)23)15-11(16(21)22)4-10(20)5-12(15)18/h2-3,8,10-15,20H,4-7H2,1H3,(H,21,22)
HMDB49879	TG(18:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,35,37,43,46,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,37-35-,46-43-
HMDB35145	Chrycolide	OC1=C2C(=O)OC(C3=CC=CS3)C2=CC=C1	InChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H
HMDB35144	(3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one	CCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1	InChI=1S/C29H46O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,20-23,30-32H,7-16H2,1-6H3
HMDB35147	Rishitinone	CC1CC(O)CC2C(=O)CC(CC12C)C(C)=C	InChI=1S/C15H24O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-13,16H,1,5-8H2,2-4H3
HMDB35146	Aristolene	CC1CCCC2=CCC3C(C3(C)C)C12C	InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3
HMDB35141	1-Isopropyl-2,3-dimethylcyclopentane	CC(C)C1CCC(C)C1C	InChI=1S/C10H20/c1-7(2)10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3
HMDB35140	(S)-Abscisic acid	OC(=O)\C=C(/C)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m1/s1
HMDB35143	Dihydro-3-methyl-2(3H)-furanone	CC1CCOC1=O	InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3
HMDB38390	Cyclopassifloside III	CC(C)C(O)(CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3
HMDB35149	Chrycorin	O=C1CC2OCCCC2=C1C1=CC=CS1	InChI=1S/C12H12O2S/c13-9-7-10-8(3-1-5-14-10)12(9)11-4-2-6-15-11/h2,4,6,10H,1,3,5,7H2
HMDB35148	(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide	CC1CCCC2CC3OC(=O)C(C)=C3C(O)C12C	InChI=1S/C15H22O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h8,10-11,13,16H,4-7H2,1-3H3
HMDB38399	Enokipodin D	CC1=CC(=O)C(=CC1=O)C1(C)CC(=O)C(C)(C)C1O	InChI=1S/C15H18O4/c1-8-5-11(17)9(6-10(8)16)15(4)7-12(18)14(2,3)13(15)19/h5-6,13,19H,7H2,1-4H3
HMDB38398	Gancaonin P	CC(C)=CCC1=C(O)C=C2OC(=C(O)C(=O)C2=C1O)C1=CC=C(O)C(O)=C1	InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15-16(17(11)24)18(25)19(26)20(27-15)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3
HMDB58078	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,40,42,44,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,28-30,32,35,39,41,43,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB58079	CL(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,41-44,46,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,28-30,32,35,39-40,45,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB51261	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-37,39-41,44-46,48-49,62H,4-7,9-10,12-15,18,21-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB36489	Dihydrocumambrin A	CC1C2C(OC1=O)C1C(CC=C1C)C(C)(O)CC2OC(C)=O	InChI=1S/C17H24O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,9,11-15,20H,6-7H2,1-4H3
HMDB36488	Annuolide C	OC1CC2C(OC(=O)C2=C)C2C(CCC2=C)C1=C	InChI=1S/C15H18O3/c1-7-4-5-10-8(2)12(16)6-11-9(3)15(17)18-14(11)13(7)10/h10-14,16H,1-6H2
HMDB36485	Trigoneoside XIb	CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C44H74O19/c1-18(16-57-39-37(55)34(52)32(50)28(14-45)60-39)7-10-44(56)19(2)30-27(63-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)59-41-38(35(53)33(51)29(15-46)61-41)62-40-36(54)31(49)25(48)17-58-40/h18-41,45-56H,5-17H2,1-4H3
HMDB36484	Trigoneoside Xb	CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3
HMDB36487	Achillicin	CC1C2C(OC1=O)C1=C(C)CC=C1C(C)(O)CC2OC(C)=O	InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3
HMDB36486	Assamsaponin J	CC1OC(OC2C(O)C(O)COC2OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(OC(C)=O)C(OC(=O)\C=C\C7=CC=CC=C7)C6(CO)C(CC54C)OC(C)=O)C3(C)C)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C66H96O27/c1-29-42(73)45(76)47(78)57(84-29)92-52-43(74)35(71)27-83-59(52)90-50-49(80)51(56(81)82)91-60(53(50)93-58-48(79)46(77)44(75)36(26-67)87-58)88-39-21-22-63(8)37(62(39,6)7)20-23-64(9)38(63)18-17-33-34-24-61(4,5)54(86-31(3)70)55(89-41(72)19-16-32-14-12-11-13-15-32)66(34,28-68)40(85-30(2)69)25-65(33,64)10/h11-17,19,29,34-40,42-55,57-60,67-68,71,73-80H,18,20-28H2,1-10H3,(H,81,82)/b19-16+
HMDB36481	Assamsaponin G	C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C	InChI=1S/C60H92O28/c1-10-24(2)50(78)88-47-48(80-25(3)65)60(23-64)27(17-55(47,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)67)83-54-46(87-52-41(74)39(72)37(70)30(20-62)82-52)43(42(75)44(85-54)49(76)77)84-53-45(35(68)28(66)21-79-53)86-51-40(73)38(71)36(69)29(19-61)81-51/h10-11,22,27-48,51-54,61-62,64,66-75H,12-21,23H2,1-9H3,(H,76,77)/b24-10-
HMDB36480	Assamsaponin F	C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C)OC(C)=O	InChI=1S/C62H94O29/c1-11-25(2)52(80)91-49-50(83-27(4)68)62(24-66)29(18-57(49,5)6)28-12-13-34-58(7)16-15-35(59(8,23-65)33(58)14-17-60(34,9)61(28,10)19-36(62)82-26(3)67)86-56-48(90-54-43(76)41(74)39(72)32(21-64)85-54)45(44(77)46(88-56)51(78)79)87-55-47(37(70)30(69)22-81-55)89-53-42(75)40(73)38(71)31(20-63)84-53/h11-12,23,29-50,53-56,63-64,66,69-77H,13-22,24H2,1-10H3,(H,78,79)/b25-11-
HMDB36483	Assamsaponin I	C\C=C(/C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C	InChI=1S/C60H92O28/c1-10-24(2)50(78)88-48-47(75)60(23-80-25(3)64)27(17-55(48,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)66)83-54-46(87-52-41(73)39(71)37(69)30(20-62)82-52)43(42(74)44(85-54)49(76)77)84-53-45(35(67)28(65)21-79-53)86-51-40(72)38(70)36(68)29(19-61)81-51/h10-11,22,27-48,51-54,61-62,65-75H,12-21,23H2,1-9H3,(H,76,77)/b24-10+
HMDB36482	Assamsaponin H	C\C=C(\C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C	InChI=1S/C60H92O28/c1-10-24(2)50(78)88-48-47(75)60(23-80-25(3)64)27(17-55(48,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)66)83-54-46(87-52-41(73)39(71)37(69)30(20-62)82-52)43(42(74)44(85-54)49(76)77)84-53-45(35(67)28(65)21-79-53)86-51-40(72)38(70)36(68)29(19-61)81-51/h10-11,22,27-48,51-54,61-62,65-75H,12-21,23H2,1-9H3,(H,76,77)/b24-10-
HMDB46891	TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35,37,40,61H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,36,38-39,41-60H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-30-,40-37-
HMDB46890	TG(22:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-
HMDB46893	TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,37,40,61H,4-7,9-10,12-14,16,19,21-23,25,28,30-36,38-39,41-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,40-37-
HMDB46892	TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,39-40,43,60H,4-7,9-10,12-16,19,22-25,28,30-33,35,37-38,41-42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,39-36-,43-40-
HMDB46895	TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB43946	TG(16:0/20:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-
HMDB34438	(R)-Pabulenol	CC(=C)C(O)COC1=C2C=COC2=CC2=C1C=CC(=O)O2	InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3
HMDB34439	Isocrotonic acid	C\C=C/C(O)=O	InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
HMDB34436	Rotenone	[H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
HMDB34437	Biphenyl	C1=CC=C(C=C1)C1=CC=CC=C1	InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
HMDB34434	Austalide F	COC1=C2CC3C(C)(CC(O)C45OC(CC(O)C34C)(OC)OC5(C)C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C26H34O9/c1-12-14-11-32-21(29)18(14)20(30-6)13-8-15-23(4,33-19(12)13)9-17(28)26-22(2,3)34-25(31-7,35-26)10-16(27)24(15,26)5/h15-17,27-28H,8-11H2,1-7H3
HMDB34435	1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone	COC1=CC(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1	InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3
HMDB34432	Lumequic acid	CCCCCCCC\C=C\CCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h9-10H,2-8,11-29H2,1H3,(H,31,32)/b10-9+
HMDB34433	Riboflavine 2',3',4',5'-tetrabutanoate	CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12)OC(=O)CCC	InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)
HMDB34430	6-Deoxohomodolichosterone	C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-10-11-22-20-9-8-18-14-24(30)25(31)15-29(18,6)23(20)12-13-28(21,22)5/h7,16-18,20-27,30-33H,8-15H2,1-6H3/b19-7+
HMDB34431	2,2-Dimethyloxirane	CC1(C)CO1	InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
HMDB09832	PI(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,39,42-47,50-54H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09833	PI(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,39,42-47,50-54H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,16-14-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09830	PI(18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,39,42-47,50-54H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09831	PI(18:1(11Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,39,42-47,50-54H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09836	PI(18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40-45,48-52H,3-13,15,18,20-36H2,1-2H3,(H,53,54)/b16-14-,19-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09837	PI(18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40-45,48-52H,3-16,21-36H2,1-2H3,(H,53,54)/b19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09834	PI(18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09835	PI(18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,35,38-43,46-50H,3-13,15,19-34H2,1-2H3,(H,51,52)/b16-14-,18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09838	PI(18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,37,40-45,48-52H,3-11,13,15-16,21-36H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09839	PI(18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,37,40-45,48-52H,3-11,13,15-16,21-23,25,27-36H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,26-24-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB03344	Glycolaldehyde	OCC=O	InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2
HMDB15323	Oxymorphone	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O	InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
HMDB15322	Dexfenfluramine	CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F	InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1
HMDB15321	Clindamycin	CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1
HMDB15320	Desflurane	FC(F)OC(F)C(F)(F)F	InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
HMDB15327	Estramustine	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H]	InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1
HMDB15326	Flecainide	FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1	InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)
HMDB15325	Brinzolamide	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O	InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
HMDB15324	Acebutolol	CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1	InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
HMDB15329	Zopiclone	CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1	InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
HMDB15328	Captopril	C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O	InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
HMDB09763	PE(24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,47H,3-5,7,9-11,13,15-16,21-27,29,31-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,30-28-/t47-/m1/s1
HMDB39938	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-(6-O-Malonyl-b-D-glucopyranoside), 5-O-b-D-glucopyranoside	OCC1OC(OC2=C3C=C(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)C(=[O+]C3=CC(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-4-10(32)3-14-11(15)5-16(28(46-14)9-1-12(33)21(38)13(34)2-9)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p+1
HMDB39939	Synephrine acetonide	CN1CC(OC1(C)C)C1=CC=C(O)C=C1	InChI=1S/C12H17NO2/c1-12(2)13(3)8-11(15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,8H2,1-3H3
HMDB39934	5,7-Dihydroxyflavone; 7-O-[a-L-Rhamnopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	CC1OC(OC2C(CO)OC(OC3=CC4=C(C(O)=C3)C(=O)C=C(O4)C3=CC=CC=C3)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O13/c1-11-20(31)21(32)23(34)26(36-11)40-25-18(10-28)39-27(24(35)22(25)33)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-9,11,18,20-29,31-35H,10H2,1H3
HMDB39935	Dihydrogenistin	OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(CO3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H22O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,12,15,18-24,26-28H,7-8H2
HMDB39936	Cyanidin 3-(6''-dioxalylglucoside)	[H]OC1=C([H])C(O[H])=C2C([H])=C(OC3([H])OC([H])(C([H])([H])OC(=O)C(=O)OC(=O)C([O-])=O)C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C25H20O17/c26-9-4-12(28)10-6-15(20(39-14(10)5-9)8-1-2-11(27)13(29)3-8)40-25-19(32)18(31)17(30)16(41-25)7-38-23(36)24(37)42-22(35)21(33)34/h1-6,16-19,25,30-32H,7H2,(H4-,26,27,28,29,33,34,36,37)
HMDB39937	Pipercitine	CCCCCCCCCCCCCCC\C=C\C(=O)N1CCCCC1	InChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
HMDB39930	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone; (S)-form, 2-O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C22H32O13/c1-3-9(2)15(26)14-11(25)4-10(24)5-12(14)34-20-18(29)17(28)16(27)13(35-20)6-32-21-19(30)22(31,7-23)8-33-21/h4-5,9,13,16-21,23-25,27-31H,3,6-8H2,1-2H3
HMDB39931	4',5,7-Trihydroxy-3'-methoxyflavone, 8CI; 4',7-Di-O-b-D-glucuronopyranoside	COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O	InChI=1S/C28H28O18/c1-41-14-4-8(2-3-12(14)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40)
HMDB39932	4',5,7-Trihydroxy-3'-methoxyflavone, 8CI; 7-O-[4-Hydroxy-3-methoxycinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC5=C(C(O)=C4)C(=O)C=C(O5)C4=CC(OC)=C(O)C=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=CC=C1O	InChI=1S/C38H36O21/c1-52-22-9-14(3-6-17(22)39)4-8-25(43)56-33-29(46)27(44)32(36(50)51)58-38(33)59-34-30(47)28(45)31(35(48)49)57-37(34)54-16-11-19(41)26-20(42)13-21(55-24(26)12-16)15-5-7-18(40)23(10-15)53-2/h3-13,27-34,37-41,44-47H,1-2H3,(H,48,49)(H,50,51)/b8-4+
HMDB39933	4',5,7-Trihydroxy-3'-methoxyflavone, 8CI; 7-O-[4-Hydroxy-3-methoxycinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;3)-b-D-glucuronopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4C(O)C(OC5=CC6=C(C(O)=C5)C(=O)C=C(O6)C5=CC(OC)=C(O)C=C5)OC(C4O)C(O)=O)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=CC=C1O	InChI=1S/C44H44O27/c1-62-22-9-14(3-6-17(22)45)4-8-25(49)66-37-29(52)27(50)34(39(56)57)69-43(37)71-38-30(53)28(51)35(40(58)59)70-44(38)67-33-31(54)36(41(60)61)68-42(32(33)55)64-16-11-19(47)26-20(48)13-21(65-24(26)12-16)15-5-7-18(46)23(10-15)63-2/h3-13,27-38,42-47,50-55H,1-2H3,(H,56,57)(H,58,59)(H,60,61)/b8-4+
HMDB37161	2-Isopropyl-5-methyl-2-hexenal	CC(C)C\C=C(/C=O)C(C)C	InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+
HMDB37160	4-Methyl-2-phenyl-1,3-dioxolane	CC1COC(O1)C1=CC=CC=C1	InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
HMDB37163	1,2-Bis(1-ethoxyethoxy)propane	CCOC(C)OCC(C)OC(C)OCC	InChI=1S/C11H24O4/c1-6-12-10(4)14-8-9(3)15-11(5)13-7-2/h9-11H,6-8H2,1-5H3
HMDB37162	1,2,3-Tris(1-ethoxyethoxy)propane	CCOC(C)OCC(COC(C)OCC)OC(C)OCC	InChI=1S/C15H32O6/c1-7-16-12(4)19-10-15(21-14(6)18-9-3)11-20-13(5)17-8-2/h12-15H,7-11H2,1-6H3
HMDB37165	4-Methyl-2-(1-phenylethyl)-1,3-dioxolane, 9CI	CC(C1OCC(C)O1)C1=CC=CC=C1	InChI=1S/C12H16O2/c1-9-8-13-12(14-9)10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
HMDB37164	3-(Hydroxymethyl)-2-octanone	CCCCCC(CO)C(C)=O	InChI=1S/C9H18O2/c1-3-4-5-6-9(7-10)8(2)11/h9-10H,3-7H2,1-2H3
HMDB37167	3-Ethyl-5-methyl-1,2-cyclopentanedione	CCC1CC(C)C(=O)C1=O	InChI=1S/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h5-6H,3-4H2,1-2H3
HMDB37166	2-(Methylthiomethyl)-3-phenyl-2-propenal	CSC\C(C=O)=C\C1=CC=CC=C1	InChI=1S/C11H12OS/c1-13-9-11(8-12)7-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b11-7+
HMDB37169	Pyrazineethanethiol	SCCC1=CN=CC=N1	InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2
HMDB37168	2-Propanoylthiazole	CCC(=O)C1=NC=CS1	InChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
HMDB54212	TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,45,48,62H,4-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB59060	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,47-48,52,55,59-60,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB45049	TG(18:0/24:1(15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h26,29,66H,4-25,27-28,30-65H2,1-3H3/b29-26-
HMDB45048	TG(18:0/24:1(15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-
HMDB59061	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-46,48-50,52,54,57,60-62,64,66,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,47,51,53,55-56,58-59,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,49-46-,52-48-,54-50-,61-57-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB45043	TG(18:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,40,43,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,43-40-
HMDB45042	TG(18:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,44,47,60H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,47-44-
HMDB45041	TG(18:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,60H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-
HMDB45040	TG(18:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,32,38,41,58H,4-7,9-10,12-16,18-19,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,41-38-
HMDB45047	TG(18:0/24:1(15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-
HMDB45046	TG(18:0/24:1(15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-
HMDB45045	TG(18:0/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-
HMDB45044	TG(18:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB59063	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-39-35-31-27-23-19-15-11-7-3)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-40-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-46-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,43-48,55-56,59-60,81-83,88H,5-20,23-24,29-30,35-36,41-42,49-54,57-58,61-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,44-40-,47-45-,48-46-,59-55-,60-56-/t82-,83-/m1/s1
HMDB29669	Eremopetasinorone A	CC1C(=O)CCC2CC(=CC12C)C(C)=O	InChI=1S/C13H18O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11H,4-6H2,1-3H3
HMDB29668	Eremopetasinorol	CC1C(O)CCC2CC(=CC12C)C(C)=O	InChI=1S/C13H20O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11-12,15H,4-6H2,1-3H3
HMDB29665	Ethyl vanillin	CCOC1=CC(C=O)=CC=C1O	InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
HMDB29664	Vanilloside	COC1=CC(C=O)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3
HMDB29667	2,3,6-Trimethylphenol	CC1=C(C)C(O)=C(C)C=C1	InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
HMDB29666	2,4-Dihydroxybenzoic acid	OC(=O)C1=C(O)C=C(O)C=C1	InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
HMDB29661	3',4'-Dihydroxyacetophenone	CC(=O)C1=CC(O)=C(O)C=C1	InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
HMDB29660	2',6'-Dihydroxyacetophenone	CC(=O)C1=C(O)C=CC=C1O	InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
HMDB29663	Vanillin acetate	COC1=CC(C=O)=CC=C1OC(C)=O	InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
HMDB29662	3',5'-Dihydroxyacetophenone	[H]OC1=C([H])C(=C([H])C(O[H])=C1[H])C(=O)C([H])([H])[H]	InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
HMDB00518	Chenodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
HMDB59067	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-48,50-51,53,57-59,62-63,65,69,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,49,52,54-56,60-61,64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,51-48-,57-53-,62-58-,63-59-,69-65-/t84?,85-,86-/m1/s1
HMDB14588	Epirubicin	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
HMDB14589	Chloramphenicol	OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O	InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
HMDB00517	L-Arginine	N[C@@H](CCCN=C(N)N)C(O)=O	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
HMDB14580	Bendroflumethiazide	NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F	InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)
HMDB14581	Allopurinol	O=C1N=CN=C2NNC=C12	InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
HMDB14582	Ceftazidime	[O-]C(=O)C1=C(CS[C@]2([H])[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C3=CSC(N)=N3)C(=O)N12)C[N+]1=CC=CC=C1	InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1
HMDB14583	Trimethoprim	COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC	InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
HMDB14584	Gemcitabine	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F	InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
HMDB14585	Entecavir	NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C	InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1
HMDB14586	Betamethasone	[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
HMDB14587	Teniposide	[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])COC(O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1	InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31?,32-/m0/s1
HMDB51312	TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-32,34,38,40-41,43,56H,4-7,10,13-16,19,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB29089	Tryptophyl-Methionine	CSCCC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)
HMDB29088	Tryptophyl-Lysine	NCCCCC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-15(17(23)24)9-11-10-20-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,20H,3-4,6,8-9,18-19H2,(H,21,22)(H,23,24)
HMDB42408	TG(14:0/20:1(11Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,53H,4-13,15-16,18-22,27-52H2,1-3H3/b17-14-,25-23-,26-24-
HMDB42409	TG(14:0/20:1(11Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,54H,4-15,17-18,20-23,28-29,31,33-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-
HMDB29081	Tryptophyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C16H20N4O4/c17-11(5-6-14(18)21)15(22)20-13(16(23)24)7-9-8-19-12-4-2-1-3-10(9)12/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)
HMDB29080	Tryptophyl-Cysteine	NC(CS)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C14H17N3O3S/c15-10(7-21)13(18)17-12(14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20)
HMDB29083	Tryptophyl-Glycine	NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)
HMDB29082	Tryptophyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/p-1
HMDB29085	Tryptophyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C17H19N5O3/c18-13(6-11-8-19-9-21-11)16(23)22-15(17(24)25)5-10-7-20-14-4-2-1-3-12(10)14/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25)
HMDB29084	Tryptophyl-Hydroxyproline	OC1CNC(C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C16H19N3O4/c20-10-6-13(18-8-10)15(21)19-14(16(22)23)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,7,10,13-14,17-18,20H,5-6,8H2,(H,19,21)(H,22,23)
HMDB29087	Tryptophyl-Leucine	CC(C)CC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C17H23N3O3/c1-10(2)7-13(18)16(21)20-15(17(22)23)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)
HMDB29086	Tryptophyl-Isoleucine	CCC(C)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	InChI=1S/C17H23N3O3/c1-3-10(2)15(18)16(21)20-14(17(22)23)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9-10,14-15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)
HMDB13585	PGP(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,41-42,45H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB13584	PGP(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43H,3-4,9-10,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB13587	PGP(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C44H74O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,41-42,45H,3-5,7,9-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB13586	PGP(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,41-42,45H,3-5,7,9-10,15-16,20,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t41-,42+/m0/s1
HMDB13581	PGP(18:3(9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,39-40,43H,3-4,6,8-10,12,14-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,19-17-,20-18-/t39-,40+/m0/s1
HMDB13580	PGP(18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,39-40,43H,3-4,6,8-10,12,15,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,16-14-,19-17-/t39-,40+/m0/s1
HMDB13583	PGP(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,39-40,43H,3-4,6,8-10,15-16,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1
HMDB13582	PGP(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,39-40,43H,3-4,6,8-10,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB46532	TG(22:0/20:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,66H,4-26,28-29,31-65H2,1-3H3/b30-27-
HMDB46533	TG(22:0/20:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,56H,4-14,16-17,19-24,26,28-55H2,1-3H3/b18-15-,27-25-
HMDB46530	TG(22:0/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h27,33,59H,4-26,28-32,34-58H2,1-3H3/b33-27-
HMDB46531	TG(22:0/20:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,64H,4-26,28-29,31-63H2,1-3H3/b30-27-
HMDB13589	PGP(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C46H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,43-44,47H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB13588	PGP(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,43-44,47H,3-5,7,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB46534	TG(22:0/20:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,58H,4-20,22-23,25,27,29-57H2,1-3H3/b24-21-,28-26-
HMDB46535	TG(22:0/20:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,60H,4-20,22-23,25,27-28,30-59H2,1-3H3/b24-21-,29-26-
HMDB46259	TG(22:0/14:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB54150	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,34-39,44-45,47-48,60H,4-6,8-9,11-15,18,21-24,31-33,40-43,46,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB13059	S-(9-hydroxy-PGA1)-glutathione	CCCCC[C@H](O)\C=C\[C@@H]1C(CC(O)[C@@H]1CCCCCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C30H51N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-25,34-35H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19-,20+,21-,22+,23+,24?,25?/m0/s1
HMDB13058	S-(9-deoxy-delta9,12-PGD2)-glutathione	CCCCC[C@H](O)C\C=C1/[C@H](C\C=C/CCCC(O)=O)C(CC1=O)SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O	InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,13,19,21-23,25,34H,2-3,5-6,8-12,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,20-13+/t19-,21-,22+,23-,25?/m0/s1
HMDB49139	TG(18:1(11Z)/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h20,23,25,28,58H,4-19,21-22,24,26-27,29-57H2,1-3H3/b23-20-,28-25-
HMDB49138	TG(18:1(11Z)/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,25,28,32,34,40,43,56H,4-19,21-22,24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b23-20-,28-25-,34-32-,43-40-
HMDB13057	S-(9-deoxy-delta12-PGD2)-glutathione	CCCCC[C@H](O)CC(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H]1[C@@H](C\C=C/CCCC(O)=O)CCC1=O	InChI=1S/C30H49N3O10S/c1-2-3-6-10-20(34)16-24(28-19(12-14-23(28)35)9-7-4-5-8-11-26(37)38)44-18-22(29(41)32-17-27(39)40)33-25(36)15-13-21(31)30(42)43/h4,7,19-22,24,28,34H,2-3,5-6,8-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-/t19-,20-,21+,22+,24?,28+/m0/s1
HMDB13056	S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione	CCCCC[C@H](O)C\C=C1\C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,13,19,21-25,34-35H,2-3,5-6,8-12,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,20-13+/t19-,21-,22+,23-,24?,25?/m0/s1
HMDB13055	S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione	CCCCC[C@H](O)CC(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C(O)CC[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C30H51N3O10S/c1-2-3-6-10-20(34)16-24(28-19(12-14-23(28)35)9-7-4-5-8-11-26(37)38)44-18-22(29(41)32-17-27(39)40)33-25(36)15-13-21(31)30(42)43/h4,7,19-24,28,34-35H,2-3,5-6,8-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-/t19-,20-,21+,22+,23?,24?,28+/m0/s1
HMDB46258	TG(22:0/14:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,17,50H,4-13,15-16,18-49H2,1-3H3/b17-14-
HMDB54157	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,38,41-42,45,47,50,64H,4-15,17,20,22-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB35031	Desoxylimonin	CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C=C12)C1=COC=C1	InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3
HMDB10593	PG(16:1(9Z)/20:3(5Z,8Z,11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,26,28,39-40,43-44H,3-13,15,19,21,23-25,27,29-38H2,1-2H3,(H,47,48)/b16-14-,18-17-,22-20-,28-26-/t39-,40+/m0/s1
HMDB10592	PG(16:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37-38,41-42H,3-4,6,8-10,12,15,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,18-17-/t37-,38+/m0/s1
HMDB10591	PG(16:1(9Z)/18:3(6Z,9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,22,24,37-38,41-42H,3-10,12,15,19-21,23,25-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,24-22-/t37-,38+/m0/s1
HMDB10590	PG(16:1(9Z)/18:2(9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41-42H,3-10,12,15,19-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t37-,38+/m0/s1
HMDB10597	PG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,30,32,41-42,45-46H,3-10,12,15,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1
HMDB10596	PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,41-42,45-46H,3-10,12,15,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
HMDB10595	PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,39-40,43-44H,3-10,12,15,19,21,23-25,27,29-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,22-20-,28-26-/t39-,40+/m0/s1
HMDB10594	PG(16:1(9Z)/20:3(8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,39-40,43-44H,3-10,12,15,19,21,23-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,22-20-/t39-,40+/m0/s1
HMDB10599	PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,41-42,45-46H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1
HMDB10598	PG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,41-42,45-46H,3-4,6,8-10,12,15,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
HMDB54156	TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,38,41,47,50,64H,4-15,17,20,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB35030	Amygdalin	OCC1OC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2
HMDB46113	TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,30-31,36,38-39,41,56H,4-8,10-11,13-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b12-9-,20-17-,21-18-,30-26-,31-27-,39-36-,41-38-
HMDB39259	Sanguiin H9	OC1C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OCC2OC1OC(=O)C1=CC(OC2=C3C(=C(O)C(O)=C2O)C2=C(C=C(O)C(O)=C2O)C(=O)OCC2OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C2OC3=O)=C(O)C(O)=C1	InChI=1S/C54H42O36/c55-15-1-10(2-16(56)29(15)61)47(76)89-53-43(75)41(73)45-23(86-53)9-83-50(79)13-6-19(59)33(65)36(68)26(13)27-28(52(81)88-45)46(39(71)38(70)37(27)69)84-21-4-11(3-17(57)30(21)62)48(77)90-54-42(74)40(72)44-22(85-54)8-82-49(78)12-5-18(58)31(63)34(66)24(12)25-14(51(80)87-44)7-20(60)32(64)35(25)67/h1-7,22-23,40-45,53-75H,8-9H2
HMDB39258	Sanguiin H8	OCC1OC(OC(=O)C2=CC(OC3=C4C(=C(O)C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OCC3OC(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)C(O)C3OC4=O)=C(O)C(O)=C2)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C1O	InChI=1S/C54H42O36/c55-8-22-34(67)45-46(88-51(80)14-7-20(61)32(65)36(69)25(14)24-13(50(79)87-45)6-19(60)31(64)35(24)68)54(84-22)90-48(77)11-3-17(58)30(63)21(4-11)83-44-28-27(38(71)39(72)40(44)73)26-12(5-18(59)33(66)37(26)70)49(78)82-9-23-43(86-52(28)81)41(74)42(75)53(85-23)89-47(76)10-1-15(56)29(62)16(57)2-10/h1-7,22-23,34,41-43,45-46,53-75H,8-9H2
HMDB35033	3beta-20(29)-Lupene-3,27-diol	CC(=C)C1CCC2(C)CCC3(CO)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12	InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-30(18-31)21(25(20)27)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h20-25,31-32H,1,8-18H2,2-7H3
HMDB39251	Panaxacol	CCCCCCCC(O)C(O)CC#CC#CC(=O)CC	InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h16-17,19-20H,3-7,10,13-14H2,1-2H3
HMDB39250	Licoricesaponin K2	CC1(CCC2(C)CCC3(C)C(C=CC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(C(O)C(O)C6O)C(O)=O)C(O)=O)C(C)(CO)C5CCC34C)=C2C1)C(O)=O	InChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)
HMDB39253	Crosatoside B	CC1OC(OC2C(O)C(O)C(CO)OC2OCCC2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C20H30O11/c1-9-13(23)15(25)17(27)19(29-9)31-18-16(26)14(24)12(8-21)30-20(18)28-7-6-10-2-4-11(22)5-3-10/h2-5,9,12-27H,6-8H2,1H3
HMDB39252	N6-Methylagmatine	CNC(=N)NCCCCN	InChI=1S/C6H16N4/c1-9-6(8)10-5-3-2-4-7/h2-5,7H2,1H3,(H3,8,9,10)
HMDB39255	Heterophylliin B	OC1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C(O)C(O)=C(O)C=C1C(=O)OC2C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(C=C(OC3=C(O)C(O)=C(O)C=C3C(=O)OC3OC4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)OC4C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C3OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C2O)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C82H56O52/c83-24-1-15(2-25(84)46(24)94)72(113)126-36-13-123-76(117)22-12-35(54(102)59(107)41(22)40-20(9-32(91)51(99)57(40)105)77(118)128-66(36)69-68-62(110)45-44(81(122)130-68)43(60(108)63(111)61(45)109)42-21(79(120)132-69)10-33(92)52(100)58(42)106)125-65-23(11-34(93)53(101)64(65)112)80(121)134-82-71(133-74(115)17-5-28(87)48(96)29(88)6-17)70(131-73(114)16-3-26(85)47(95)27(86)4-16)67-37(127-82)14-124-75(116)18-7-30(89)49(97)55(103)38(18)39-19(78(119)129-67)8-31(90)50(98)56(39)104/h1-12,36-37,62,66-71,82-112H,13-14H2
HMDB39254	Heterophylliin C	OC1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C(O)C(O)=C(O)C=C1C(=O)OC2C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(C=C(OC3=C(O)C(O)=C(O)C=C3C(=O)OC3OC4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)OC4C4OC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)OC34)C(O)=C2O)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C82H54O52/c83-22-1-13(2-23(84)44(22)92)72(113)126-32-11-123-74(115)20-10-31(52(100)59(107)39(20)38-16(5-26(87)49(97)57(38)105)75(116)128-66(32)69-68-62(110)43-42(81(122)130-68)41(60(108)63(111)61(43)109)40-19(78(119)131-69)8-29(90)50(98)58(40)106)125-65-21(9-30(91)51(99)64(65)112)80(121)134-82-71-70(132-77(118)17-6-27(88)47(95)55(103)36(17)37-18(79(120)133-71)7-28(89)48(96)56(37)104)67-33(127-82)12-124-73(114)14-3-24(85)45(93)53(101)34(14)35-15(76(117)129-67)4-25(86)46(94)54(35)102/h1-10,32-33,62,66-71,82-112H,11-12H2
HMDB39257	Sanguiin H3	OCC1OC(OC(=O)C2=CC(OC3=C4C(=C(O)C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OCC3OC(C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)OC5C3OC4=O)C(=O)OC3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C1O	InChI=1S/C68H48O44/c69-10-28-44(85)55-59(111-65(99)18-9-26(77)42(83)48(89)33(18)30-15(62(96)108-55)6-23(74)39(80)45(30)86)68(106-28)112-60(94)12-1-19(70)38(79)27(2-12)104-54-36-35(50(91)51(92)52(54)93)34-14(5-22(73)43(84)49(34)90)61(95)102-11-29-53(107-66(36)100)56-57(58(105-29)67(101)103-13-3-20(71)37(78)21(72)4-13)110-64(98)17-8-25(76)41(82)47(88)32(17)31-16(63(97)109-56)7-24(75)40(81)46(31)87/h1-9,28-29,44,53,55-59,68-93H,10-11H2
HMDB39256	Sanguiin H10	[H]OC1=C([H])C(=C([H])C(O[H])=C1O[H])C(=O)OC1([H])OC2([H])C([H])([H])OC(=O)C3=C(C(O[H])=C(O[H])C(O[H])=C3[H])C3=C(C(OC4=C(O[H])C(O[H])=C([H])C(=C4[H])C(=O)OC4([H])OC5([H])C([H])([H])OC(=O)C6=C(C(O[H])=C(O[H])C(O[H])=C6[H])C6=C(C([H])=C(O[H])C(O[H])=C6O[H])C(=O)OC5([H])C([H])(O[H])C4([H])O[H])=C(O[H])C(O[H])=C3O[H])C(=O)OC2([H])C2([H])OC(=O)C3=C([H])C(O[H])=C(O[H])C(O[H])=C3C3=C(C([H])=C(O[H])C(O[H])=C3O[H])C(=O)OC12[H]	InChI=1S/C68H48O44/c69-19-1-12(2-20(70)37(19)77)59(94)112-68-58-57(109-64(99)17-8-25(75)41(81)46(86)32(17)33-18(65(100)110-58)9-26(76)42(82)47(33)87)55-29(106-68)11-103-62(97)15-6-23(73)43(83)48(88)34(15)35-36(66(101)108-55)56(51(91)50(90)49(35)89)104-27-4-13(3-21(71)38(27)78)60(95)111-67-53(93)52(92)54-28(105-67)10-102-61(96)14-5-22(72)39(79)44(84)30(14)31-16(63(98)107-54)7-24(74)40(80)45(31)85/h1-9,28-29,52-55,57-58,67-93H,10-11H2
HMDB57502	CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,27-28,31-35,37-38,42,50,54,73-75,80H,5-20,22-24,26,29-30,36,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,37-34-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB46253	TG(20:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,42,45,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,28-25-,36-33-,45-42-
HMDB04461	Benzamide	NC(=O)C1=CC=CC=C1	InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
HMDB14870	Atracurium	COC1=C(OC)C=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC(OC)=C(OC)C=C2)C=C1	InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2
HMDB14871	Pralidoxime	C[N+]1=C(\C=N\O)C=CC=C1	InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
HMDB59062	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB14873	Naftifine	CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12	InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+
HMDB14874	Esomeprazole	COC1=CC2=C(NC(=N2)[S@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1	InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m1/s1
HMDB14875	Meclizine	CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1	InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
HMDB14876	Pentamidine	NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1	InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
HMDB14877	Hetacillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)C1=CC=CC=C1)C(O)=O	InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1
HMDB14878	Riluzole	NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2	InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
HMDB14879	Hydrocortisone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
HMDB00514	Allochenodeoxycholic acid	[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17?,18+,19+,20-,22+,23+,24-/m1/s1
HMDB00512	N-Acetyl-L-phenylalanine	CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
HMDB00513	5b-Cholestane-3a,7a,12a,23R,25-pentol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](O)CC(C)(C)O	InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
HMDB00510	Aminoadipic acid	NC(CCCC(O)=O)C(O)=O	InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
HMDB00511	Capric acid	CCCCCCCCCC(O)=O	InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
HMDB46252	TG(20:0/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,36,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34-35,37-58H2,1-3H3/b10-7-,19-16-,28-25-,36-33-
HMDB46251	TG(20:0/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,37,40,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,31-27-,40-37-
HMDB50101	TG(18:1(9Z)/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-28,32-33,58H,4-15,17-18,20-24,29-31,34-57H2,1-3H3/b19-16-,28-25-,32-26-,33-27-
HMDB11349	PE(P-16:0/20:2(11Z,14Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,33,36,40H,3-10,12,14-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,36-33-/t40-/m1/s1
HMDB11348	PE(P-16:0/20:1(11Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,33,36,40H,3-16,18,20-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b19-17-,36-33-/t40-/m1/s1
HMDB57567	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35,38,73-75,80H,5-24,27,31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,32-28-,38-35-/t73?,74-,75-/m1/s1
HMDB11345	PE(P-16:0/18:3(9Z,12Z,15Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,31,34,38H,3-4,6,8-10,12,14-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b7-5-,13-11-,19-17-,34-31-/t38-/m1/s1
HMDB11344	PE(P-16:0/18:3(6Z,9Z,12Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,31,34,38H,3-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,24-22-,34-31-/t38-/m1/s1
HMDB11347	PE(P-16:0/20:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1
HMDB11346	PE(P-16:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H70NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,31,34,38H,3-4,6,8-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b7-5-,13-11-,19-17-,24-22-,34-31-/t38-/m1/s1
HMDB11341	PEP-16:0/18:1(11Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1
HMDB11340	PE(P-16:0/18:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
HMDB11343	PE(P-16:0/18:2(9Z,12Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,34,38H,3-10,12,14-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,34-31-/t38-/m1/s1
HMDB11342	PE(P-16:0/18:1(9Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,31,34,38H,3-16,18,20-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b19-17-,34-31-/t38-/m1/s1
HMDB57566	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-32,73-75,80H,5-24,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,32-28-/t73?,74-,75-/m1/s1
HMDB46257	TG(22:0/14:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB48941	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-26,32,35,50H,4-6,8-9,11-15,17-18,22,27-31,33-34,36-49H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,26-25-,35-32-
HMDB48940	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,53H,4-7,9-10,12-16,18-19,22-23,25,27,29-52H2,1-3H3/b11-8-,20-17-,24-21-,28-26-
HMDB48943	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,34,37,52H,4-7,9-10,12-16,18-19,22-23,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,37-34-
HMDB48942	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26,28,34,37,52H,4-7,9-10,12-16,18,23,25,27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-,37-34-
HMDB48945	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,32,36,38-39,41,54H,4-7,9-10,12-16,18-19,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB48944	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29,36,39,54H,4-7,9-10,12-16,18-19,22-23,28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,39-36-
HMDB48947	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,33,40,43,58H,4-7,9-10,12-16,18-19,22-23,28-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,33-26-,43-40-
HMDB48946	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,38,41,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-37,39-40,42-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-,41-38-
HMDB48949	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,33-34,36-37,52H,4-7,9-10,12-15,18,22-23,29-32,35,38-51H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-
HMDB48948	TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26-29,35,38,53H,4-7,9-10,12-16,18,23,25,30-34,36-37,39-52H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-,29-27-,38-35-
HMDB46256	TG(22:0/14:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB06824	Dihydroneopterin phosphate	NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(O)=O)C(=O)N1	InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1
HMDB06825	Tetrahydrofolyl-[Glu](2)	NC1=NC2=C(NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1	InChI=1S/C24H30N8O9/c25-24-31-19-18(21(37)32-24)28-13(10-27-19)9-26-12-3-1-11(2-4-12)20(36)30-15(23(40)41)5-7-16(33)29-14(22(38)39)6-8-17(34)35/h1-4,13-15,26,28H,5-10H2,(H,29,33)(H,30,36)(H,34,35)(H,38,39)(H,40,41)(H4,25,27,31,32,37)
HMDB06826	Tetrahydrofolyl-[Glu](n)	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2)N1	InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)
HMDB49017	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-
HMDB06820	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C(=O)C1=O	InChI=1S/C38H56O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,40H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+
HMDB06821	2,5-Diaminopyrimidine nucleoside triphosphate	NC1=NC(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)=C(N)C(=O)N1	InChI=1S/C9H18N5O14P3/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(26-8)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,4-5,8,15-16H,1,10H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1
HMDB06822	Formamidopyrimidine nucleoside triphosphate	NC1=NC(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)=C(NC=O)C(=O)N1	InChI=1S/C10H18N5O15P3/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H,23,24)(H,25,26)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1
HMDB06823	2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine	NC1=NC(=O)C(N)=C(NCC(=O)C(O)C(O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1	InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18)
HMDB49740	TG(18:1(9Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-
HMDB49018	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,42,45,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB49019	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,32,34,39,42,60H,4-7,9-10,12-15,18,22-23,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-
HMDB11969	Ganglioside GT1b (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C100H176N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(122)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-80(129)79(128)84(68(50-110)141-92)144-94-82(131)90(151-100(97(136)137)44-62(119)73(103-56(6)115)88(149-100)78(127)67(49-109)146-98(95(132)133)42-60(117)71(101-54(4)113)86(147-98)74(123)63(120)45-105)85(69(51-111)142-94)145-91-57(41-53(3)112)83(76(125)65(47-107)139-91)143-93-81(130)89(77(126)66(48-108)140-93)150-99(96(134)135)43-61(118)72(102-55(5)114)87(148-99)75(124)64(121)46-106/h57-69,71-94,105-111,116-121,123-131H,7-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77+,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89+,90-,91+,92-,93+,94+,98-,99+,100+/m1/s1
HMDB11968	Ganglioside GT1b (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C98H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-68(120)102-56(57(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-136-90-78(127)77(126)82(66(48-108)139-90)142-92-80(129)88(149-98(95(134)135)42-60(117)71(101-54(6)113)86(147-98)76(125)65(47-107)144-96(93(130)131)40-58(115)69(99-52(4)111)84(145-96)72(121)61(118)43-103)83(67(49-109)140-92)143-89-55(39-51(3)110)81(74(123)63(45-105)137-89)141-91-79(128)87(75(124)64(46-106)138-91)148-97(94(132)133)41-59(116)70(100-53(5)112)85(146-97)73(122)62(119)44-104/h55-67,69-92,103-109,114-119,121-129H,7-50H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,120)(H,130,131)(H,132,133)(H,134,135)/t55-,56+,57-,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75+,76-,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87+,88-,89+,90-,91+,92+,96-,97+,98+/m1/s1
HMDB11961	Ganglioside GQ1c (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C115H197N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h22-23,42,44,65-79,81-107,121-128,134-140,142-151H,8-21,24-41,43,45-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/b23-22-,44-42+/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1
HMDB11960	Ganglioside GQ1c (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C115H199N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h42,44,65-79,81-107,121-128,134-140,142-151H,8-41,43,45-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/b44-42+/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1
HMDB11963	Ganglioside GT1b (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C92H160N4O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-51(108)50(96-62(114)32-30-28-26-24-21-18-16-14-12-10-8-2)44-130-84-72(121)71(120)76(60(42-102)133-84)136-86-74(123)82(143-92(89(128)129)36-54(111)65(95-48(6)107)80(141-92)70(119)59(41-101)138-90(87(124)125)34-52(109)63(93-46(4)105)78(139-90)66(115)55(112)37-97)77(61(43-103)134-86)137-83-49(33-45(3)104)75(68(117)57(39-99)131-83)135-85-73(122)81(69(118)58(40-100)132-85)142-91(88(126)127)35-53(110)64(94-47(5)106)79(140-91)67(116)56(113)38-98/h49-61,63-86,97-103,108-113,115-123H,7-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,114)(H,124,125)(H,126,127)(H,128,129)/t49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81+,82-,83+,84-,85+,86+,90-,91+,92+/m1/s1
HMDB11962	Ganglioside GT1b (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C90H156N4O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-49(106)48(94-60(112)30-28-26-24-21-16-14-12-10-8-2)42-128-82-70(119)69(118)74(58(40-100)131-82)134-84-72(121)80(141-90(87(126)127)34-52(109)63(93-46(6)105)78(139-90)68(117)57(39-99)136-88(85(122)123)32-50(107)61(91-44(4)103)76(137-88)64(113)53(110)35-95)75(59(41-101)132-84)135-81-47(31-43(3)102)73(66(115)55(37-97)129-81)133-83-71(120)79(67(116)56(38-98)130-83)140-89(86(124)125)33-51(108)62(92-45(5)104)77(138-89)65(114)54(111)36-96/h47-59,61-84,95-101,106-111,113-121H,7-42H2,1-6H3,(H,91,103)(H,92,104)(H,93,105)(H,94,112)(H,122,123)(H,124,125)(H,126,127)/t47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67+,68-,69-,70-,71-,72-,73-,74-,75+,76?,77?,78?,79+,80-,81+,82-,83+,84+,88-,89+,90+/m1/s1
HMDB11965	Ganglioside GT1b (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C96H168N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h53-65,67-90,101-107,112-117,119-127H,7-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1
HMDB11964	Ganglioside GT1b (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C94H164N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(110)52(98-64(116)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-132-86-74(123)73(122)78(62(44-104)135-86)138-88-76(125)84(145-94(91(130)131)38-56(113)67(97-50(6)109)82(143-94)72(121)61(43-103)140-92(89(126)127)36-54(111)65(95-48(4)107)80(141-92)68(117)57(114)39-99)79(63(45-105)136-88)139-85-51(35-47(3)106)77(70(119)59(41-101)133-85)137-87-75(124)83(71(120)60(42-102)134-87)144-93(90(128)129)37-55(112)66(96-49(5)108)81(142-93)69(118)58(115)40-100/h51-63,65-88,99-105,110-115,117-125H,7-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,116)(H,126,127)(H,128,129)(H,130,131)/t51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78-,79+,80?,81?,82?,83+,84-,85+,86-,87+,88+,92-,93+,94+/m1/s1
HMDB11967	Ganglioside GT1b (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h21-22,53-65,67-90,101-107,112-117,119-127H,7-20,23-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b22-21-/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1
HMDB11966	Ganglioside GT1b (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C96H166N4O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(118)100-54(55(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)48-134-88-76(125)75(124)80(64(46-106)137-88)140-90-78(127)86(147-96(93(132)133)40-58(115)69(99-52(6)111)84(145-96)74(123)63(45-105)142-94(91(128)129)38-56(113)67(97-50(4)109)82(143-94)70(119)59(116)41-101)81(65(47-107)138-90)141-87-53(37-49(3)108)79(72(121)61(43-103)135-87)139-89-77(126)85(73(122)62(44-104)136-89)146-95(92(130)131)39-57(114)68(98-51(5)110)83(144-95)71(120)60(117)42-102/h17,19,53-65,67-90,101-107,112-117,119-127H,7-16,18,20-48H2,1-6H3,(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b19-17-/t53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85+,86-,87+,88-,89+,90+,94-,95+,96+/m1/s1
HMDB49741	TG(18:1(9Z)/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-
HMDB50818	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,39-40,42-43,60H,4-6,8-9,11-15,17,20,22-24,30,32,35-38,41,44-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-
HMDB50819	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,40,43,61H,4-6,8-9,11-14,17,20-23,30-31,33,35-39,41-42,44-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,43-40-
HMDB50816	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,39,45,48,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-38,40-44,46-47,49-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-35-,48-45-
HMDB50817	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-35,40,43,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,36-39,41-42,44-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,43-40-
HMDB50814	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35-36,39,41,44-45,48,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-
HMDB50815	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-24,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB50812	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,59H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-
HMDB50813	TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-30,32,35,41,44,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,44-41-
HMDB50810	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35,38,40-41,43,47,50,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB50811	TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8,11,13-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB49742	TG(18:1(9Z)/16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-27,29,54H,4-24,28,30-53H2,1-3H3/b27-25-,29-26-
HMDB49743	TG(18:1(9Z)/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,33,38,41,54H,4-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b27-25-,29-26-,33-30-,41-38-
HMDB49744	TG(18:1(9Z)/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h25-27,31,56H,4-24,28-30,32-55H2,1-3H3/b27-25-,31-26-
HMDB49745	TG(18:1(9Z)/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h25-27,33,58H,4-24,28-32,34-57H2,1-3H3/b27-25-,33-26-
HMDB35325	Ganoderic acid N	CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O	InChI=1S/C30H42O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-20,32,38H,8-14H2,1-7H3,(H,36,37)
HMDB35324	Lucidumol B	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23-25,31-33H,9,11-13,15-18H2,1-8H3
HMDB38135	alpha-Panasinsene	CC1=CCCC2(C)CCC3C(C)(C)CC123	InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h6,12H,5,7-10H2,1-4H3
HMDB49746	TG(18:1(9Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,22,26-29,53H,4-18,20-21,23-25,30-52H2,1-3H3/b22-19-,28-26-,29-27-
HMDB38134	Bisabolene oxide	CC1CC(OC11CCC(C)=CC1)C=C(C)C	InChI=1S/C15H24O/c1-11(2)9-14-10-13(4)15(16-14)7-5-12(3)6-8-15/h5,9,13-14H,6-8,10H2,1-4H3
HMDB07889	PC(14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,42H,6-13,15,17-18,21,24,26,28-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
HMDB07888	PC(14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,42H,6-13,15,17-18,21-41H2,1-5H3/b16-14-,20-19-/t42-/m1/s1
HMDB07885	PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,27,29,40H,6-7,9,11-13,15,17-18,21,24-26,28,30-39H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,29-27-/t40-/m1/s1
HMDB07884	PC(14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,40H,6-7,9,11-13,15,17-18,21,24-39H2,1-5H3/b10-8-,16-14-,20-19-,23-22-/t40-/m1/s1
HMDB07887	PC(14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h19-20,42H,6-18,21-41H2,1-5H3/b20-19-/t42-/m1/s1
HMDB07886	PC(14:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
HMDB07881	PC(14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h19-20,22-23,27,29,40H,6-18,21,24-26,28,30-39H2,1-5H3/b20-19-,23-22-,29-27-/t40-/m1/s1
HMDB07880	PC(14:0/20:2(11Z,14Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h14,16,19-20,40H,6-13,15,17-18,21-39H2,1-5H3/b16-14-,20-19-/t40-/m1/s1
HMDB07883	PC(14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,27,29,40H,6-13,15,17-18,21,24-26,28,30-39H2,1-5H3/b16-14-,20-19-,23-22-,29-27-/t40-/m1/s1
HMDB07882	PC(14:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,40H,6-13,15,17-18,21,24-39H2,1-5H3/b16-14-,20-19-,23-22-/t40-/m1/s1
HMDB35322	Fagopyritol B2	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C18H32O16/c19-1-3-5(20)7(22)14(29)17(32-3)31-2-4-6(21)8(23)15(30)18(33-4)34-16-12(27)10(25)9(24)11(26)13(16)28/h3-30H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12+,13+,14-,15-,16-,17+,18-/m1/s1
HMDB49747	TG(18:1(9Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,32,35,52H,4-15,17-18,20-24,29-31,33-34,36-51H2,1-3H3/b19-16-,27-25-,28-26-,35-32-
HMDB51077	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-15,17-18,20-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB51076	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35-36,39-40,43,45,48,62H,4-15,17-18,20-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-
HMDB51075	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,36,39,45,48,62H,4-15,17-18,20-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51074	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34-35,37-38,43-44,46-47,60H,4-15,17-18,20-24,31-33,36,39-42,45,48-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB51073	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34-35,37-38,44,47,60H,4-15,17-18,20-24,31-33,36,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,38-35-,47-44-
HMDB51072	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,34,37,43,46,59H,4-14,16-17,19-23,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,37-34-,46-43-
HMDB51071	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-33,36,38,41-42,45,58H,4-17,19-20,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-
HMDB51070	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,33-34,37,43,46,59H,4-20,22-23,27,31-32,35-36,38-42,44-45,47-58H2,1-3H3/b24-21-,28-25-,29-26-,33-30-,37-34-,46-43-
HMDB51079	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-33,36,38,41-42,45,58H,4-8,10-11,13-17,19-20,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-
HMDB51078	TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32-33,36,42,45,58H,4-8,10-11,13-17,19-20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-
HMDB55946	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,47-48,50,61H,4-6,9,12-15,18,21-24,27,30-31,33,35,37,40,42-44,46,49,51-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-,50-47-
HMDB55944	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34,36,38-39,41,47,50,61H,4-6,9,12-15,18,21-24,27,30-31,33,35,37,40,42-46,48-49,51-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,50-47-
HMDB55943	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-6,13-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51-
HMDB55942	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,36,39-40,43,45,48,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44,46-47,49-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-,48-45-
HMDB55941	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H94O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,39-40,42-44,47-49,51-52,62H,4-6,13-15,22-24,30-31,37-38,41,45-46,50,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-,52-49-
HMDB55940	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,36,39,45,48,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-35,37-38,40-44,46-47,49-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,48-45-
HMDB55948	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB57897	CL(18:1(11Z)/18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1
HMDB57896	CL(18:1(11Z)/18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,28-29,32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57895	CL(18:1(11Z)/18:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37,42,46,54,58,77-79,84H,5-20,22-24,28-29,32,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,37-33-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57894	CL(18:1(11Z)/18:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,37,41,76-78,83H,5-24,28,32-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,41-37-/t76?,77-,78-/m1/s1
HMDB57893	CL(18:1(11Z)/18:0/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,39,75-77,82H,5-24,27-28,31-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-35-/t75?,76-,77-/m1/s1
HMDB57892	CL(18:1(11Z)/18:0/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-27,29-31,75-77,82H,5-24,28,32-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-/t75?,76-,77-/m1/s1
HMDB57891	CL(18:1(11Z)/18:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,73-75,80H,5-24,27,31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,32-28-/t73?,74-,75-/m1/s1
HMDB57890	CL(18:1(11Z)/18:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,75-77,82H,5-24,27-28,31-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-/t76-,77-/m1/s1
HMDB57899	CL(18:1(11Z)/18:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,30,33,36,73-75,80H,5-25,27-29,31-32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,36-33-/t73?,74-,75-/m1/s1
HMDB57898	CL(18:1(11Z)/18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56766	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-38,40,43-45,48-50,54,56-57,60-62,66,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,46-47,51-53,55,58-59,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB56767	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-20,23-24,27-32,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1
HMDB56764	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-38,40,43-45,48-50,54,56-57,60-62,66,81-83,88H,5-20,24,28-32,39,41-42,46-47,51-53,55,58-59,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB56765	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-38,40,43-45,48-50,54,56-57,60-61,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,46-47,51-53,55,58-59,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-/t81?,82-,83-/m1/s1
HMDB51389	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-6,9,12-15,18,21-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB51388	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-6,9,12-15,18,21-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB56760	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,41-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,28-30,32,35,38-40,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB56761	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-48-52-56-60-64-68-81(86)94-74-79(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-42,44,46,52,54,56,58,77-79,84H,5-20,23-24,27-32,38-39,43,45,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,40-35-,44-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB51385	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-6,8,11,13-15,17,20,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB51384	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,8,11,13-15,17,20,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB51387	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-6,9,12-15,18,21-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB51386	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-6,9,12-15,18,21-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-
HMDB51381	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-15,18,21-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB51380	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-6,8-9,11-15,18,21-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB51383	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-7,9-10,12-15,18,21-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB51382	TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-7,9-10,12-15,18,21-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB55499	TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,38-39,41,45,48,58H,4-6,13-15,22-24,29,34-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,48-45-
HMDB55498	TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,38-39,41,58H,4-6,13-15,22-24,29,34-35,37,40,42-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-
HMDB55495	TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-35,37-38,54H,4-6,13-15,22-24,31-33,36,39-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-
HMDB55494	TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB55497	TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,36,39-40,43,56H,4-6,13-15,22-24,29,33,35,37-38,41-42,44-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,43-40-
HMDB55496	TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,36,39,56H,4-6,13-15,22-24,29,33,35,37-38,40-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-
HMDB55491	TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-7,10,13-15,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB55490	TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-7,10,13-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-
HMDB55493	TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-45,49-50,52-53,62H,4-6,8,11,13-15,22-24,30-31,37-39,46-48,51,54-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB55492	TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,40-45,50,53,62H,4-6,8,11,13-15,22-24,30-31,37-39,46-49,51-52,54-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,53-50-
HMDB07229	DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,39,42H,3-4,6,8-10,12,14-16,20,23,25-38H2,1-2H3/b7-5-,13-11-,19-17-,21-18-,24-22-/t39-/m0/s1
HMDB07228	DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB07221	DG(18:1(9Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,37,40H,3-5,7,9-11,13,15-16,21-36H2,1-2H3/b8-6-,14-12-,19-17-,20-18-/t37-/m0/s1
HMDB07220	DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,37,40H,3-11,13,15-16,21-23,25,27-36H2,1-2H3/b14-12-,19-17-,20-18-,26-24-/t37-/m0/s1
HMDB07223	DG(18:1(9Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h18,21,39,42H,3-17,19-20,22-38H2,1-2H3/b21-18-/t39-/m0/s1
HMDB07222	DG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,37,40H,3-5,7,9-11,13,15-16,21-23,25,27-36H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,26-24-/t37-/m0/s1
HMDB07225	DG(18:1(9Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,39,42H,3-10,12,14-16,20,22-38H2,1-2H3/b13-11-,19-17-,21-18-/t39-/m0/s1
HMDB07224	DG(18:1(9Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,39,42H,3-16,20,22-38H2,1-2H3/b19-17-,21-18-/t39-/m0/s1
HMDB07227	DG(18:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,39,42H,3-10,12,14-16,20,23,25-38H2,1-2H3/b13-11-,19-17-,21-18-,24-22-/t39-/m0/s1
HMDB07226	DG(18:1(9Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,39,42H,3-16,20,23,25-27,29,31-38H2,1-2H3/b19-17-,21-18-,24-22-,30-28-/t39-/m0/s1
HMDB41329	5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone	CC1(C)CC(=O)C2=C(N)C(=CC=C2O1)C(=O)\C=C\CO	InChI=1S/C15H17NO4/c1-15(2)8-11(19)13-12(20-15)6-5-9(14(13)16)10(18)4-3-7-17/h3-6,17H,7-8,16H2,1-2H3/b4-3+
HMDB46118	TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-
HMDB46119	TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41-42,45,47,50,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-,50-47-
HMDB54398	TG(22:2(13Z,16Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34,37,43,46,66H,4-6,8-9,11-15,18,21-24,27,30-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,46-43-
HMDB46114	TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,31,39,42,57H,4-8,10-11,13,15-16,19-20,22,24-25,28-30,32-38,40-41,43-56H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,31-27-,42-39-
HMDB46115	TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,35,40,43,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34,36-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-
HMDB46116	TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,35,40-41,43-44,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-
HMDB50386	TG(20:1(11Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,40,43,62H,4-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,43-40-
HMDB50387	TG(20:1(11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,40,43,49,52,62H,4-15,17-18,20-24,27,30-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,43-40-,52-49-
HMDB50384	TG(20:1(11Z)/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,43,46,60H,4-15,17-18,20-24,27,30-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,46-43-
HMDB46117	TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,42,45,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-41,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-,45-42-
HMDB50382	TG(20:1(11Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,59H,4-14,16-17,19-23,26,29-58H2,1-3H3/b18-15-,27-24-,28-25-
HMDB50383	TG(20:1(11Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,60H,4-15,17-18,20-24,27,30-33,35-36,38-59H2,1-3H3/b19-16-,28-25-,29-26-,37-34-
HMDB50380	TG(20:1(11Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,33,59H,4-20,22-23,26-27,29,31-32,34-58H2,1-3H3/b24-21-,28-25-,33-30-
HMDB50381	TG(20:1(11Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32,38,41,58H,4-17,19-20,22-24,26,29-31,33-37,39-40,42-57H2,1-3H3/b21-18-,28-25-,32-27-,41-38-
HMDB46110	TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,34,42,45,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-,45-42-
HMDB50388	TG(20:1(11Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,33-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-
HMDB46111	TG(20:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,44,47,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,47-44-
HMDB41324	Bisbynin	CC1OCC2=C(C(O)C3OC3(CC=C(C)C)C2O)C1O	InChI=1S/C15H22O5/c1-7(2)4-5-15-13(18)9-6-19-8(3)11(16)10(9)12(17)14(15)20-15/h4,8,11-14,16-18H,5-6H2,1-3H3
HMDB41325	Salfredin B11	CC1(C)OC2=C(C=C1)C(O)=C1C(=O)OCC1=C2	InChI=1S/C13H12O4/c1-13(2)4-3-8-9(17-13)5-7-6-16-12(15)10(7)11(8)14/h3-5,14H,6H2,1-2H3
HMDB55239	TG(18:3(9Z,12Z,15Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,32-33,58H,4-7,10,13-16,19,22-24,29-31,34-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-
HMDB55238	TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,35,41,44,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,35-32-,44-41-
HMDB57204	CL(18:0/18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,36-37,39-40,75-77,82H,5-24,27,31,33-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB55231	TG(18:3(9Z,12Z,15Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-
HMDB55230	TG(18:3(9Z,12Z,15Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-
HMDB55233	TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-32,35-36,39,41,44,56H,4-7,10,13-16,19,22-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB55232	TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-32,35,41,44,56H,4-7,10,13-16,19,22-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,44-41-
HMDB55235	TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-34,36-37,42-43,45-46,58H,4-6,8,11,13-15,17,20,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB55234	TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32-34,36-37,43,46,58H,4-6,8,11,13-15,17,20,22-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB55237	TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB55236	TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8,11,13-15,17,20,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB31934	(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid	CC\C=C\C\C=C\C=C\C(O)CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+
HMDB31935	9-Hydroxy-4-megastigmen-3-one; (6R,9R)-form, O-[a-L-Rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(CCC1C(C)=CC(=O)CC1(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C25H42O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h8,12-13,15-24,27-32H,6-7,9-10H2,1-5H3
HMDB31936	9-Hydroxy-4-megastigmen-3-one; (6R,9R)-form, O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(CCC1C(C)=CC(=O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3
HMDB31937	Squamocin F	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCC(O)CCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-21-30(38)19-16-13-10-8-9-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB31930	Benzosimuline	CN1C(=O)C2=C(OC(C)(C)C3=C2C=C(C)C=C3)C2=C1C=CC=C2	InChI=1S/C20H19NO2/c1-12-9-10-15-14(11-12)17-18(23-20(15,2)3)13-7-5-6-8-16(13)21(4)19(17)22/h5-11H,1-4H3
HMDB31931	Stigmast-22-ene-3,6-dione	CCC(\C=C\C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,18-20,22-26H,7,10-17H2,1-6H3/b9-8+
HMDB31932	11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide	COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C1C(O)=C(C(C)C)C(O)=C2O	InChI=1S/C21H28O6/c1-9(2)10-13(22)11-12(15(24)14(10)23)21-8-6-7-20(3,4)18(21)17(16(11)26-5)27-19(21)25/h9,16-18,22-24H,6-8H2,1-5H3
HMDB31933	11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide	COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C1C(OC)=C(C(C)C)C(O)=C2O	InChI=1S/C22H30O6/c1-10(2)11-14(23)15(24)13-12(16(11)26-5)17(27-6)18-19-21(3,4)8-7-9-22(13,19)20(25)28-18/h10,17-19,23-24H,7-9H2,1-6H3
HMDB50034	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,36,39,54H,4-6,8-9,11-15,17,20,22-24,31-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-
HMDB50035	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,54H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB50036	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-28,30-32,34,38,41,56H,4-6,8-9,11-15,17,20,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-
HMDB50037	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-28,30-32,34,38,40-41,43,56H,4-6,8-9,11-15,17,20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB31938	Arachisprenol 10	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=CCC\C(C)=C\CCC(C)=CCC\C(C)=C\CCC(C)=CCCC(C)=CCO	InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-37-,50-39-
HMDB31939	Arachisprenol 11	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=CCC\C(C)=C\CCC(C)=CCC\C(C)=C\CCC(C)=CCCC(C)=CCC\C(C)=C\CO	InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39-,54-41-,55-43+
HMDB50032	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-33,36,39-40,43,58H,4-15,17,20,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-
HMDB50033	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-33,36,39-40,43,45,48,58H,4-15,17,20,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-
HMDB49014	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-32,36,39,57H,4-6,8-9,11-15,17-18,22,26,29,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,39-36-
HMDB54728	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,39-40,42-43,48,51,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-
HMDB47249	TG(24:0/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h26-27,34-35,60H,4-25,28-33,36-59H2,1-3H3/b34-26-,35-27-
HMDB49015	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,35,37-38,40,56H,4-6,8-9,11-15,18,22-23,28,32-34,36,39,41-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-
HMDB54724	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,38-39,41,58H,4-7,9-10,12-15,18,22-23,27,29,33-35,37,40,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-,41-38-
HMDB54725	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36,39-40,42-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-
HMDB54726	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,37-38,41,43,46,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36,39-40,42,44-45,47-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-
HMDB47248	TG(24:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20,23,27,35,60H,4-19,21-22,24-26,28-34,36-59H2,1-3H3/b23-20-,35-27-
HMDB54720	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30-31,35,37,57H,4-15,17-18,20,22-23,26,28-29,32-34,36,38-56H2,1-3H3/b19-16-,24-21-,27-25-,31-30-,37-35-
HMDB49016	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,30-31,36,39,57H,4-6,8-9,11-13,15,18,20,22,28-29,32-35,37-38,40-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,31-30-,39-36-
HMDB54722	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,39-40,42-43,48,51,62H,4-15,18,22-23,27,30-31,36-38,41,44-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-
HMDB54723	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,39,58H,4-7,9-10,12-15,18,22-23,27,29,33-35,37-38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,39-36-
HMDB34076	Austalide E	COC1=C2CC3C(C)(CC(OC(C)=O)C45OC(CC(O)C34C)(OC)OC5(C)C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)11-19(35-14(2)29)28-24(3,4)37-27(33-8,38-28)10-18(30)26(17,28)6/h17-19,30H,9-12H2,1-8H3
HMDB31005	3-Methyl-5-pentyl-2-furanundecanoic acid	CCCCCC1=CC(C)=C(CCCCCCCCCCC(O)=O)O1	InChI=1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23)
HMDB49010	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32,37,40,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,40-37-
HMDB31006	1-Acetoxy-2-hydroxy-16-heptadecen-4-one	CC(=O)OCC(O)CC(=O)CCCCCCCCCCCC=C	InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h3,19,22H,1,4-16H2,2H3
HMDB49011	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,40,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB07052	DG(14:1(9Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,16-17,19-20,24,26,35,38H,3-9,11,13-15,18,21-23,25,27-34H2,1-2H3/b12-10-,17-16-,20-19-,26-24-/t35-/m0/s1
HMDB34075	Austalide C	COC1=C2CC3C(C)(CC(OC(C)=O)C45OC(CC(OC(C)=O)C34C)(OC)OC5(C)C)OC2=C(C)C2=C1C(=O)OC2	InChI=1S/C30H38O11/c1-14-18-13-36-25(33)22(18)24(34-8)17-10-19-27(6,39-23(14)17)11-21(38-16(3)32)30-26(4,5)40-29(35-9,41-30)12-20(28(19,30)7)37-15(2)31/h19-21H,10-13H2,1-9H3
HMDB49012	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,34,39,42,60H,4-7,9-10,12-16,18-19,22-23,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-
HMDB07053	DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,35,38H,3-9,14-15,18,21-34H2,1-2H3/b12-10-,13-11-,17-16-,20-19-/t35-/m0/s1
HMDB31000	8-Decene-4,6-diyn-1-ol; (Z)-form, 3-Methylbutanoyl	C\C=C/C#CC#CCCCOC(=O)CC(C)C	InChI=1S/C15H20O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,14H,10-13H2,1-3H3/b5-4-
HMDB49013	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,41,44,62H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-,44-41-
HMDB07050	DG(14:1(9Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,16-17,35,38H,3-9,11,13-15,18-34H2,1-2H3/b12-10-,17-16-/t35-/m0/s1
HMDB31001	(Z)-2-Decene-4,6,8-triyn-1-ol	CC#CC#CC#C\C=C\CO	InChI=1S/C10H8O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,10H2,1H3/b9-8+
HMDB07051	DG(14:1(9Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,35,38H,3-9,14-15,18-34H2,1-2H3/b12-10-,13-11-,17-16-/t35-/m0/s1
HMDB31002	3-Decenoic acid	CCCCCC\C=C/CC(O)=O	InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7-
HMDB07056	DG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,24,26,35,38H,3-4,6,8-9,14-15,18,21-23,25,27-34H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,26-24-/t35-/m0/s1
HMDB34071	Progoitrin	OCC1OC(S\C(CC(O)C=C)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7+
HMDB07057	DG(14:1(9Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,37,40H,3-9,11,13-36H2,1-2H3/b12-10-/t37-/m0/s1
HMDB07054	DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,24,26,35,38H,3-9,14-15,18,21-23,25,27-34H2,1-2H3/b12-10-,13-11-,17-16-,20-19-,26-24-/t35-/m0/s1
HMDB49669	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,38-39,42,48,51,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-
HMDB07055	DG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,35,38H,3-4,6,8-9,14-15,18,21-34H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-/t35-/m0/s1
HMDB54472	TG(22:2(13Z,16Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,66H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB57256	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB54473	TG(22:2(13Z,16Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,52,55,66H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB49668	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,31-32,38,41,47,50,59H,4-6,8-9,11-13,15,18,20,22,27,29-30,33-37,39-40,42-46,48-49,51-58H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,41-38-,50-47-
HMDB04149	Palmitelaidoyl-CoA	CCCCCC\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9+
HMDB04148	Dopamine 4-sulfate	NCCC1=CC=C(OS(O)(=O)=O)C(O)=C1	InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
HMDB01319	Pyridoxine 5'-phosphate	CC1=NC=C(COP(O)(O)=O)C(CO)=C1O	InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
HMDB01318	4-Methylpentanal	CC(C)CCC=O	InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
HMDB54476	TG(22:2(13Z,16Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,38,41,64H,4-8,10-11,13-15,17,20,22-24,31-37,39-40,42-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB01313	D-Myo-inositol 4-phosphate	O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O	InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1
HMDB01312	Diadenosine diphosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1	InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-7(1-31)40-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20+/m1/s1
HMDB04143	Tantalum	[Ta+5]	InChI=1S/Ta/q+5
HMDB04142	Barium	[Ba++]	InChI=1S/Ba/q+2
HMDB04145	BOX B	CC1=C(C=C)C(=O)N\C1=C/C(N)=O	InChI=1S/C9H10N2O2/c1-3-6-5(2)7(4-8(10)12)11-9(6)13/h3-4H,1H2,2H3,(H2,10,12)(H,11,13)/b7-4-
HMDB01316	6-Phosphogluconic acid	O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O	InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
HMDB01315	Phosphorus	[P]	InChI=1S/P
HMDB04146	BOX A	CC1=C(C=C)\C(NC1=O)=C\C(N)=O	InChI=1S/C9H10N2O2/c1-3-6-5(2)9(13)11-7(6)4-8(10)12/h3-4H,1H2,2H3,(H2,10,12)(H,11,13)/b7-4-
HMDB45209	TG(18:0/22:2(13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,60H,4-15,17-18,20-24,26-27,29-59H2,1-3H3/b19-16-,28-25-
HMDB45208	TG(18:0/22:2(13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,58H,4-15,17-18,20-24,26-27,29-57H2,1-3H3/b19-16-,28-25-
HMDB57569	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,36,40,44,52,56,75-77,82H,5-20,22-24,29,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB57568	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25-32,36,39,74-76,81H,5-24,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB45205	TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB45204	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB45207	TG(18:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,57H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,28-25-,35-32-,44-41-
HMDB45206	TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB45201	TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,32,35,41,44,56H,4-7,9-10,12-15,18,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,44-41-
HMDB45200	TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-15,18,21-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB45203	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,43,46,58H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB45202	TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30,32,35-36,39,41,44,56H,4-7,9-10,12-15,18,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB48008	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,29-30,32,38,41,53H,4-14,16-17,19,21-22,25,28,31,33-37,39-40,42-52H2,1-3H3/b18-15-,23-20-,26-24-,29-27-,32-30-,41-38-
HMDB48009	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28-29,31,33,36-37,40,52H,4-14,16,19,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB48004	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,31,33,39,42,54H,4-14,16-17,19-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b18-15-,26-24-,27-25-,33-31-,42-39-
HMDB48005	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,30-33,38-39,41-42,54H,4-14,16-17,19-23,28-29,34-37,40,43-53H2,1-3H3/b18-15-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB48006	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,33,35,41,44,56H,4-14,16-17,19-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b18-15-,26-24-,27-25-,35-33-,44-41-
HMDB48007	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,35,37,43,46,58H,4-14,16-17,19-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b18-15-,26-24-,27-25-,37-35-,46-43-
HMDB48000	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/14:1(9Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14-15,17-18,23-24,26-27,33,36,48H,4-13,16,19-22,25,28-32,34-35,37-47H2,1-3H3/b17-14-,18-15-,24-23-,27-26-,36-33-
HMDB48001	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,20,23-25,27,29,35,38,50H,4-14,16-17,19,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b18-15-,23-20-,25-24-,29-27-,38-35-
HMDB48002	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:1(11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,29,31,37,40,52H,4-14,16-17,19,21-22,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b18-15-,23-20-,26-24-,31-29-,40-37-
HMDB48003	TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28-29,31,37,40,52H,4-14,16-17,19-23,27,30,32-36,38-39,41-51H2,1-3H3/b18-15-,26-24-,28-25-,31-29-,40-37-
HMDB43333	TG(15:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-34,39-40,42-43,55H,4-6,8-9,11-15,17-18,20-24,29-30,35-38,41,44-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB43332	TG(15:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-34,40,43,55H,4-6,8-9,11-15,17-18,20-24,29-30,35-39,41-42,44-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,34-32-,43-40-
HMDB43331	TG(15:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,34,37-38,41,53H,4-7,9-10,12-16,18-19,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-
HMDB43330	TG(15:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-30,32,38,41,53H,4-7,9-10,12-16,18-19,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,32-30-,41-38-
HMDB09678	PE(22:5(7Z,10Z,13Z,16Z,19Z)/dm18:1(9Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB09679	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,27,29,39H,3-4,6,8-10,12,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1
HMDB43335	TG(15:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,34-36,38,42,44-45,47,57H,4-6,8-9,11-15,17-18,20-24,29,31,33,37,39-41,43,46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-,47-44-
HMDB43334	TG(15:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,34-36,38,42,45,57H,4-6,8-9,11-15,17-18,20-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-
HMDB09674	PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,49H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-/t49-/m1/s1
HMDB09675	PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,38-35-/t42-/m1/s1
HMDB09676	PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB09677	PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,26,28,37,40,44H,3-4,6,8-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB09670	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,36,38,47H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1
HMDB09671	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,47H,3-4,9-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1
HMDB09672	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,36,38,47H,3-4,9-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1
HMDB09673	PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,49H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,20-18-,27-25-,33-31-/t49-/m1/s1
HMDB56208	DG(18:1n9/0:0/22:4n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,41,44H,3-10,12,14-16,20,24-25,27,29-40H2,1-2H3/b13-11-,19-17-,22-21-,23-18-,28-26-
HMDB40581	(Z)-6-Nonen-1-ol	CC\C=C/CCCCCO	InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3/b4-3-
HMDB36153	1,3-Elemadien-6-ol; 6b-form, Ac	CC(C)C1CCC(C)(C=C)C(C1OC(C)=O)C(C)=C	InChI=1S/C17H28O2/c1-8-17(7)10-9-14(11(2)3)16(19-13(6)18)15(17)12(4)5/h8,11,14-16H,1,4,9-10H2,2-3,5-7H3
HMDB40583	2-Methylpropyl benzoate	CC(C)COC(=O)C1=CC=CC=C1	InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
HMDB40582	1-Methyl-2-pyrrolecarboxaldehyde	CN1C=CC=C1C=O	InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
HMDB40585	()-Sulfobutanedioic acid	OC(=O)CC(C(O)=O)S(O)(=O)=O	InChI=1S/C4H6O7S/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)
HMDB40584	2,3-Dihydro-4-methylfuran	CC1=COCC1	InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3
HMDB35899	Pyrohyperforin	CC(C)C(=O)C12C(=O)C3=C(OC(C)(C)C=C3)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O	InChI=1S/C35H50O4/c1-22(2)13-12-18-33(11)26(15-14-23(3)4)21-34(20-16-24(5)6)30-27(17-19-32(9,10)39-30)29(37)35(33,31(34)38)28(36)25(7)8/h13-14,16-17,19,25-26H,12,15,18,20-21H2,1-11H3
HMDB35898	Robustocin	CCCCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCC2=CC(C)OC2=O)O1	InChI=1S/C35H62O5/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-31(36)32-25-26-34(40-32)33-24-23-30(39-33)21-18-15-13-14-17-20-29-27-28(2)38-35(29)37/h27-28,30-34,36H,3-26H2,1-2H3
HMDB35897	Silica gel	O.[SiH4]	InChI=1S/H2O.H4Si/h1H2;1H4
HMDB35896	Lactaroviolin	CC(=C)C1=CC2=C(C=O)C=CC2=C(C)C=C1	InChI=1S/C15H14O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-9H,1H2,2-3H3
HMDB35895	3,7,11,15,20,23-Hexahydroxylanost-8-en-26-oic acid; 3,7,11,15,23-Pentaketone	CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O	InChI=1S/C30H40O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,19-20,38H,8-14H2,1-7H3,(H,36,37)
HMDB35894	5-(1-Propenyl)-1,2,3-benzenetriol, 9CI; (Z)-form, 1,2-Methylene, 3-Me ether	COC1=C2OCOC2=CC(\C=C/C)=C1	InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3-
HMDB35893	Elaterinide	CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C	InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+
HMDB29270	Quercetin 3-O-(6&quot;-malonyl-glucoside) 7-O-glucoside	[H]OC(=O)C([H])([H])C(=O)OC([H])([H])C1([H])OC([H])(OC2=C(OC3=C(C(O[H])=C([H])C(OC4([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C4([H])O[H])=C3[H])C2=O)C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]	InChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)
HMDB35891	Oryzanol A	COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=CC=C1O	InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+
HMDB35890	Lucidenic acid K	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C27H36O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-14,16,23,34H,7-12H2,1-6H3,(H,31,32)
HMDB51806	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,36,62H,4-8,10-11,13-15,17,20,22-24,30-35,37-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,36-27-
HMDB51807	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,39,42,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-
HMDB51804	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,37,60H,4-8,10-11,13-16,19,22-24,30-33,36,38-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-
HMDB29271	Quercetin 3-O-(6''-acetyl-glucoside)	[H]OC1=C([H])C(O[H])=C2C(=O)C(O[C@]3([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
HMDB51802	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,32-33,38,41,58H,4-8,10-11,13-16,19,22-24,29-31,34-37,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-
HMDB51803	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,33,59H,4-8,10-11,13,15-16,19-20,22,24,29-32,34-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,33-27-
HMDB51800	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-
HMDB51801	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,33-34,59H,4-8,10-11,13-17,19,22,24,26,30-32,35-58H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-,34-29-
HMDB36157	15-Deacetylneosolaniol	CC(=O)OC1C(O)C2OC3C=C(C)C(O)CC3(CO)C1(C)C21CO1	InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3
HMDB51808	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,36,39,42,48,51,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-
HMDB29277	8-8'-Dehydrodiferulic acid	[H]OC(=O)\C(=C(\[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H])\C(=C(\[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H])\C(=O)O[H]	InChI=1S/C20H18O8/c1-27-17-9-11(3-5-15(17)21)7-13(19(23)24)14(20(25)26)8-12-4-6-16(22)18(10-12)28-2/h3-10,21-22H,1-2H3,(H,23,24)(H,25,26)/b13-7-,14-8+
HMDB56206	DG(18:1n9/0:0/20:4n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,21-18-,24-22-,30-28-
HMDB29274	Sanguisorbic acid dilactone	[H]OC(=O)C1=C([H])C(OC2=C3C(=O)OC4=C(O[H])C(O[H])=C([H])C5=C4C3=C(OC5=O)C(O[H])=C2O[H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-27H,(H,28,29)
HMDB36154	(Z)-2,6,10-Bisabolatriene	CC(C)=CCC\C(C)=C1/CCC(C)=CC1	InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-
HMDB58969	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-49-45-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,40,43-45,48-50,54-56,59-60,62,66,81-83,88H,5-20,24,28-32,39,41-42,46-47,51-53,57-58,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,59-55-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB36159	Toxin T2 tetrol	CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1O	InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3
HMDB35765	p-Menthan-3-ol	CC(C)C1CCC(C)CC1O	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
HMDB35764	(-)-Neoisomenthol	CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
HMDB35767	Piperalol	CC1C=C(C=O)C(CO)C(O)C2CC(C)(C)CC12	InChI=1S/C15H24O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7,9,11-14,17-18H,5-6,8H2,1-3H3
HMDB29279	1,3-Dicaffeoylquinic acid	[H]OC(=O)[C@]1(OC(=O)C([H])=C([H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])C1([H])[H]	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4-/t19-,20-,23-,25+/m1/s1
HMDB35761	(-)-Pinocarvone	CC1(C)C2CC1C(=C)C(=O)C2	InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3
HMDB35760	3-Hydroxytrichothecene	CC1=CC2OC3C(O)CC(C)(C33CO3)C2(C)CC1	InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3
HMDB35763	(+)-Neomenthol	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
HMDB35762	3-(Dimethylaminomethyl)indole	CN(C)CC1=CNC2=CC=CC=C12	InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
HMDB56909	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,42-47,52-54,56-58,65-66,69-70,85-87,92H,5-8,11-12,15-20,24,28-32,39-41,48-51,55,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB02666	Thiamine monophosphate	CC1=C(CCOP(O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N	InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)
HMDB35768	(E)-3-Octen-1-ol	CCCC\C=C\CCO	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+
HMDB02664	Prostaglandin E3	CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
HMDB33396	3,16-Dihydroxy-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-b-D-Glucopyranoside, 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)]-a-L-arabinopyranosyl] ester	CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C63H102O30/c1-24-47(89-52-46(80)48(28(67)22-83-52)90-51-42(76)36(70)27(66)21-82-51)41(75)45(79)53(85-24)92-50-49(91-55-44(78)40(74)38(72)31(20-65)87-55)29(68)23-84-56(50)93-57(81)63-16-15-58(2,3)17-26(63)25-9-10-33-60(6)13-12-35(88-54-43(77)39(73)37(71)30(19-64)86-54)59(4,5)32(60)11-14-61(33,7)62(25,8)18-34(63)69/h9,24,26-56,64-80H,10-23H2,1-8H3
HMDB33397	Fumonisin AK1	CCCCC(C)C(=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C30H53NO11/c1-6-7-10-19(3)29(39)26(42-28(38)16-22(30(40)41)15-27(36)37)14-18(2)13-23(33)11-8-9-12-24(34)17-25(35)20(4)31-21(5)32/h18-20,22-26,33-35H,6-17H2,1-5H3,(H,31,32)(H,36,37)(H,40,41)
HMDB33394	4-Ethyl-2,6-dimethoxyphenol	CCC1=CC(OC)=C(O)C(OC)=C1	InChI=1S/C10H14O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h5-6,11H,4H2,1-3H3
HMDB33395	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[a-L-rhamnopyranosyl-(1-&gt;6)-b-D-galactopyranoside], 7-O-b-D-galactopyranoside	COC1=CC=C(C=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C(CC=C(C)C)=C2O1	InChI=1S/C39H50O20/c1-14(2)5-10-18-20(55-38-32(50)29(47)25(43)21(12-40)56-38)11-19(41)23-27(45)36(34(58-35(18)23)16-6-8-17(52-4)9-7-16)59-39-33(51)30(48)26(44)22(57-39)13-53-37-31(49)28(46)24(42)15(3)54-37/h5-9,11,15,21-22,24-26,28-33,37-44,46-51H,10,12-13H2,1-4H3
HMDB33392	C.I. Acid Red 13	OC1=C(\N=N\C2=CC=C(C3=C2C=CC=C3)S(O)(=O)=O)C2=C(C=C1)C=C(C=C2)S(O)(=O)=O	InChI=1S/C20H14N2O7S2/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)17/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21+
HMDB33393	C.I. Food Black 2	NC1=CC2=C(C=C1S(O)(=O)=O)C=C(C(\N=N\C1=C3C=C(C=CC3=C(C=C1)\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O)=C2O)S(O)(=O)=O	InChI=1S/C26H19N5O13S4/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/b29-28+,31-30+
HMDB33390	C.I. Acid Green 50	CN(C)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](C)C)C1=C(O)C(=CC2=C1C=CC(=C2)S(O)(=O)=O)S([O-])(=O)=O	InChI=1S/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)
HMDB33391	C.I. Acid Green 5	CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O	InChI=1S/C37H36N2O9S3/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)
HMDB41182	Camellioferin A	OC1OC2COC(=O)C3=C(C(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OC4C(OC(=O)C5=CC=C(O)C(O)=C5O)OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC5C4OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12	InChI=1S/C75H52O48/c76-23-2-1-15(41(85)43(23)87)68(105)123-75-64(62(119-65(102)14-3-24(77)42(86)25(78)4-14)60-34(116-75)13-113-66(103)16-5-26(79)44(88)51(95)35(16)36-17(70(107)118-60)6-27(80)45(89)52(36)96)122-73(110)22-10-31(84)49(93)57(101)58(22)114-32-11-21-40(56(100)50(32)94)39-18(7-28(81)48(92)55(39)99)69(106)117-59-33(12-112-67(21)104)115-74(111)63-61(59)120-71(108)19-8-29(82)46(90)53(97)37(19)38-20(72(109)121-63)9-30(83)47(91)54(38)98/h1-11,33-34,59-64,74-101,111H,12-13H2
HMDB41183	(2alpha,3beta)-20(29)-Lupene-2,3,28-triol	CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C12	InChI=1S/C30H50O3/c1-18(2)19-10-13-30(17-31)15-14-28(6)20(24(19)30)8-9-23-27(5)16-21(32)25(33)26(3,4)22(27)11-12-29(23,28)7/h19-25,31-33H,1,8-17H2,2-7H3
HMDB41180	Hericene B	CCCCCCCC\C=C\CCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O	InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13+,31-25+
HMDB41181	Hericene C	CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O	InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+
HMDB41186	Ilicifolinoside A	C\C(COC1OC(CO)C(O)C(O)C1O)=C\CO	InChI=1S/C11H20O7/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-16H,3-5H2,1H3/b6-2-
HMDB41187	(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside	C\C(CO)=C\COC1OC(CO)C(O)C(O)C1O	InChI=1S/C11H20O7/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-16H,3-5H2,1H3/b6-2-
HMDB33398	Annoglabasin B	CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4C(O)=O)CCC12	InChI=1S/C22H34O4/c1-14(23)26-13-20(2)8-4-9-21(3)17(20)7-10-22-11-15(5-6-18(21)22)16(12-22)19(24)25/h15-18H,4-13H2,1-3H3,(H,24,25)
HMDB33399	Annocherin A	CC(=O)OCC1(O)CC23CC1CCC2C1(C)CCCC(C)(COC(C)=O)C1CC3	InChI=1S/C24H38O5/c1-16(25)28-14-21(3)9-5-10-22(4)19(21)8-11-23-12-18(6-7-20(22)23)24(27,13-23)15-29-17(2)26/h18-20,27H,5-15H2,1-4H3
HMDB58961	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-69,71-73,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-54,58,62-66,70,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB58966	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,27-32,38-39,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,40-35-,44-41-,45-42-,55-51-,56-52-/t77?,78-,79-/m1/s1
HMDB56903	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,41-42,44-46,50-52,55-56,58,62-64,67-68,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,47-49,53-54,57,59-61,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB44642	TG(16:0/o-18:0/18:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB44643	TG(16:0/o-18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB44640	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,38,44,47,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36-37,39-43,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,38-35-,47-44-
HMDB44641	TG(16:0/o-18:0/16:0)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H104O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h51H,4-50H2,1-3H3
HMDB44646	TG(16:0/o-18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)48-56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18,49H,4-14,16-17,19-48H2,1-3H3/b18-15-
HMDB44647	TG(16:0/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-58-53(55)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB44644	TG(16:0/o-18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB44645	TG(16:0/o-18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-58-59(57-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB44648	TG(16:0/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB44649	TG(16:0/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,53H,4-25,27,29-52H2,1-3H3/b28-26-
HMDB33648	4',5,6,7,8-Pentahydroxy-3'-methoxyflavone	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(O)=C(O)C(O)=C2O	InChI=1S/C16H12O8/c1-23-10-4-6(2-3-7(10)17)9-5-8(18)11-12(19)13(20)14(21)15(22)16(11)24-9/h2-5,17,19-22H,1H3
HMDB33649	O-Demethylfonsecin	CC1(O)CC(=O)C2=C(O)C3=C(C=C(O)C=C3O)C=C2O1	InChI=1S/C14H12O6/c1-14(19)5-9(17)12-10(20-14)3-6-2-7(15)4-8(16)11(6)13(12)18/h2-4,15-16,18-19H,5H2,1H3
HMDB44139	TG(16:0/20:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,56H,4-25,27,29-55H2,1-3H3/b28-26-
HMDB33644	(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside	CC(C)C12CC1C(C)(CC2O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-7(2)16-4-9(16)15(3,5-10(16)18)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3
HMDB33645	2,4,7-Thujanetriol; (1S,2S,4S,5S)-form, 4-O-b-D-Glucopyranoside	CC(C)(O)C12CC1C(C)(CC2O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O8/c1-14(2,22)16-4-8(16)15(3,5-9(16)18)24-13-12(21)11(20)10(19)7(6-17)23-13/h7-13,17-22H,4-6H2,1-3H3
HMDB33646	Viniferifuran	OC1=CC=C(\C=C/C2=CC(O)=CC3=C2C(=C(O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1	InChI=1S/C28H20O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,29-33H/b4-1-
HMDB33647	5,6:8,9-Diepoxyergost-22-ene-3,7-diol	CC(C)C(C)\C=C\C(C)C1CCC2C34OC3(CCC12C)C1(C)CCC(O)CC11OC1C4O	InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+
HMDB33640	7-Methyl-3-methylene-1,6,7-octanetriol	CC(C)(O)C(O)CCC(=C)CCO	InChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3
HMDB33641	12-Oleanene-3,21,28-triol; (3b,21b)-form, 28-O-[b-D-Arabinopyranosyl-(1-&gt;3)-b-D-arabinopyranosyl-(1-&gt;3)-b-D-arabinopyranoside]	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(COC2OCC(O)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)CC1O	InChI=1S/C45H74O15/c1-40(2)16-23-22-8-9-28-42(5)12-11-29(49)41(3,4)27(42)10-13-44(28,7)43(22,6)14-15-45(23,17-30(40)50)21-58-37-33(53)35(25(47)19-55-37)60-39-34(54)36(26(48)20-57-39)59-38-32(52)31(51)24(46)18-56-38/h8,23-39,46-54H,9-21H2,1-7H3
HMDB33642	(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol	C\C(CO)=C/CCC(C)(O)C(O)CO	InChI=1S/C10H20O4/c1-8(6-11)4-3-5-10(2,14)9(13)7-12/h4,9,11-14H,3,5-7H2,1-2H3/b8-4+
HMDB33643	10-Hydroxy-8-nor-2-fenchanone; O-b-D-Glucopyranoside	CC1C2CCC(COC3OC(CO)C(O)C(O)C3O)(C2)C1=O	InChI=1S/C15H24O7/c1-7-8-2-3-15(4-8,13(7)20)6-21-14-12(19)11(18)10(17)9(5-16)22-14/h7-12,14,16-19H,2-6H2,1H3
HMDB41230	Amaranthussaponin III	CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(=C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C)OC(C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C47H72O19/c1-19-10-13-47(42(60)66-40-32(55)30(53)28(51)24(18-48)62-40)15-14-45(6)21(22(47)16-19)8-9-26-44(5)17-23(49)37(43(3,4)25(44)11-12-46(26,45)7)65-41-34(57)35(33(56)36(64-41)38(58)59)63-39-31(54)29(52)27(50)20(2)61-39/h8,20,22-37,39-41,48-57H,1,9-18H2,2-7H3,(H,58,59)
HMDB41231	Gibberellin A99	CC1(CC(O)CC2(C=O)C3CCC4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O	InChI=1S/C20H26O7/c1-10-5-18-8-20(10,27)4-3-12(18)19(9-21)7-11(22)6-17(2,16(25)26)14(19)13(18)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26)
HMDB41232	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(COC(C)=O)C(O)C(O)C3O)C(O)=C2O1	InChI=1S/C30H34O18/c1-10(32)43-9-19-22(37)24(39)26(41)29(47-19)48-28-25(40)21(36)18(8-31)46-30(28)45-17-7-14(35)20-13(34)6-16(44-27(20)23(17)38)11-3-4-15(42-2)12(33)5-11/h3-7,18-19,21-22,24-26,28-31,33,35-41H,8-9H2,1-2H3
HMDB41233	3-Hydroxy-12-ursen-28-oic acid; 3b-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-b-D-xylopyranoside]	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O	InChI=1S/C41H66O12/c1-20-10-15-41(36(48)49)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)53-34-32(46)30(44)24(19-50-34)52-35-33(47)31(45)29(43)23(18-42)51-35/h8,20-21,23-35,42-47H,9-19H2,1-7H3,(H,48,49)/t20-,21+,23-,24-,25?,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1
HMDB41234	Artocarpanone A	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC)C=C3O2)C(O)=C1	InChI=1S/C17H16O6/c1-21-9-3-4-11(12(18)5-9)15-8-14(20)17-13(19)6-10(22-2)7-16(17)23-15/h3-7,15,18-19H,8H2,1-2H3
HMDB41235	6''-O-Acetylvicenin 1	CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1	InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3
HMDB41236	2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	COC1=C2C(=O)C(OC)=C(OC2=C2C=CC(C)(C)OC2=C1)C1=CC=C(O)C=C1	InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16(25-3)17-18(24)21(26-4)19(27-20(14)17)12-5-7-13(23)8-6-12/h5-11,23H,1-4H3
HMDB41237	Amaranthussaponin I	CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C)OC(C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H76O19/c1-20-27(51)29(53)31(55)39(62-20)64-35-33(57)36(38(59)60)65-41(34(35)58)66-37-23(50)18-45(6)25(44(37,4)5)11-12-47(8)26(45)10-9-21-22-17-43(2,3)13-15-48(22,16-14-46(21,47)7)42(61)67-40-32(56)30(54)28(52)24(19-49)63-40/h9,20,22-37,39-41,49-58H,10-19H2,1-8H3,(H,59,60)
HMDB41238	Loquatoside	OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C=C2)C(O)C1O	InChI=1S/C20H22O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15-28H,6H2
HMDB41239	ent-Epicatechin-(4alpha-&gt;6)-ent-epicatechin	OC1CC2=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C=C3)=C(O)C=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2
HMDB34384	Corticrocin	OC(=O)\C=C/C=C/C=C/C=C\C=C\C=C/C(O)=O	InChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1-,4-2+,7-5+,8-6+,11-9-,12-10-
HMDB34385	Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25+
HMDB34386	Glycerol 1,2-dioctadecanoate 3-(9Z-octadecenoate)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,54H,4-24,26-27,29-53H2,1-3H3/b28-25+
HMDB34387	Norbixin; (9E)-form, 6-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-6'-Me ester	COC(=O)\C=C/C(/C)=C\C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(\C)/C=C\C(=O)OC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C45H62O4/c1-36(2)18-13-21-39(5)24-14-25-40(6)26-17-29-43(9)34-35-49-45(47)33-31-42(8)28-16-23-38(4)20-12-11-19-37(3)22-15-27-41(7)30-32-44(46)48-10/h11-12,15-16,18-20,22-24,26-28,30-34H,13-14,17,21,25,29,35H2,1-10H3/b12-11+,22-15-,23-16+,32-30-,33-31-,37-19+,38-20-,39-24+,40-26+,41-27-,42-28-,43-34-
HMDB34380	1-Octacosanol	CCCCCCCCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
HMDB34381	Methyl linoleate	CCCCC\C=C/C\C=C\CCCCCCCC(=O)OC	InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10+
HMDB34382	(E,E)-11,13-Octadecadien-9-ynoic acid	CCCC\C=C\C=C/C#CCCCCCCCC(O)=O	InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-
HMDB47172	TG(24:0/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C69H136O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h67H,4-66H2,1-3H3
HMDB34388	Norbixin; (9Z)-form, 6-(3,7,11,5-Tetramethyl-2,6,10,14-hexadecatetraenyl)-6'-Me ester	COC(=O)\C=C\C(\C)=C/C=C\C(\C)=C\C=C\C=C(\C)/C=C/C=C(/C)\C=C/C(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C45H62O4/c1-36(2)18-13-21-39(5)24-14-25-40(6)26-17-29-43(9)34-35-49-45(47)33-31-42(8)28-16-23-38(4)20-12-11-19-37(3)22-15-27-41(7)30-32-44(46)48-10/h11-12,15-16,18-20,22-24,26-28,30-34H,13-14,17,21,25,29,35H2,1-10H3/b12-11+,22-15-,23-16+,32-30+,33-31-,37-19+,38-20-,39-24+,40-26+,41-27-,42-28-,43-34+
HMDB34389	Silenoside B	CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C65H102O33/c1-23-34(71)40(77)49(97-56-51(96-55-45(82)39(76)37(74)29(20-67)91-55)46(83)47(24(2)89-56)93-53-43(80)35(72)27(69)21-87-53)57(88-23)98-59(86)65-16-15-60(3,4)17-26(65)25-9-10-31-61(5)13-12-33(62(6,22-68)30(61)11-14-63(31,7)64(25,8)18-32(65)70)92-58-50(42(79)41(78)48(94-58)52(84)85)95-54-44(81)38(75)36(73)28(19-66)90-54/h9,22-24,26-51,53-58,66-67,69-83H,10-21H2,1-8H3,(H,84,85)
HMDB50330	TG(20:1(11Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,44,47,57H,4-15,17-18,20-24,29,31,33-35,37-38,40-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-,47-44-
HMDB42529	TG(14:0/18:2(9Z,12Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26-27,29-31,53H,4-15,17-18,21-22,25,28,32-52H2,1-3H3/b19-16-,23-20-,26-24-,29-27-,31-30-
HMDB42528	TG(14:0/18:2(9Z,12Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,16,20,22-24,27,29,52H,4-12,14-15,17-19,21,25-26,28,30-51H2,1-3H3/b16-13-,23-20-,24-22-,29-27-
HMDB42525	TG(14:0/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,33,57H,4-19,21-22,25,28-32,34-56H2,1-3H3/b23-20-,26-24-,33-27-
HMDB42524	TG(14:0/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,31,55H,4-19,21-22,25,28-30,32-54H2,1-3H3/b23-20-,26-24-,31-27-
HMDB42527	TG(14:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,19-20,22,25-28,32,35,51H,4-16,18,21,23-24,29-31,33-34,36-50H2,1-3H3/b20-17-,22-19-,27-25-,28-26-,35-32-
HMDB42526	TG(14:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h19-20,22-23,26-29,52H,4-18,21,24-25,30-51H2,1-3H3/b22-19-,23-20-,28-26-,29-27-
HMDB42521	TG(14:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,25-28,51H,4-18,20-21,23-24,29-50H2,1-3H3/b22-19-,27-25-,28-26-
HMDB42520	TG(14:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h19-20,22-23,26,28,51H,4-18,21,24-25,27,29-50H2,1-3H3/b22-19-,23-20-,28-26-
HMDB42523	TG(14:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,29-31,37,40,53H,4-19,21-22,25,28,32-36,38-39,41-52H2,1-3H3/b23-20-,26-24-,29-27-,31-30-,40-37-
HMDB42522	TG(14:0/18:2(9Z,12Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,29,53H,4-19,21-22,25,28,30-52H2,1-3H3/b23-20-,26-24-,29-27-
HMDB44134	TG(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,56H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-
HMDB44135	TG(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB39099	Procyanidin B3 7-glucoside	OC[C@H]1O[C@@H](OC2=CC(O)=C3[C@H]([C@H](O)[C@H](OC3=C2)C2=CC=C(O)C(O)=C2)C2=C3O[C@@H]([C@@H](O)CC3=C(O)C=C2O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C36H36O17/c37-11-25-29(46)31(48)32(49)36(52-25)50-14-7-21(43)26-24(8-14)51-34(13-2-4-17(39)20(42)6-13)30(47)28(26)27-22(44)10-18(40)15-9-23(45)33(53-35(15)27)12-1-3-16(38)19(41)5-12/h1-8,10,23,25,28-34,36-49H,9,11H2/t23-,25+,28-,29+,30-,31-,32+,33+,34+,36+/m0/s1
HMDB39098	Chrysophanein	CC1=CC2=C(C(O)=C1)C(=O)C1=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C1C2=O	InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3
HMDB39093	15-cis-Pytoene	CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C	InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27-,38-28-,39-29-,40-30+
HMDB39092	Stachyoside A	CC1(O)CC(O)C2(O)C=COC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12	InChI=1S/C21H34O15/c1-20(30)4-9(23)21(31)2-3-32-19(16(20)21)36-18-15(29)13(27)11(25)8(35-18)6-33-17-14(28)12(26)10(24)7(5-22)34-17/h2-3,7-19,22-31H,4-6H2,1H3
HMDB39091	Capsorubinidione	C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(=O)CC1(C)C)=C\C=C\C=C(/C)\C=C/C=C(\C)/C=C\C(=O)C1(C)CC(=O)CC1(C)C	InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-
HMDB39090	Reticulataxanthin; 7',8'-Dihydro, 8'-hydroxy	CC(=O)CC(O)C(\C)=C\C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C33H46O3/c1-24(13-9-10-14-25(2)17-12-18-27(4)32(36)22-29(6)34)15-11-16-26(3)19-20-31-28(5)21-30(35)23-33(31,7)8/h9-20,30,32,35-36H,21-23H2,1-8H3/b10-9+,15-11+,17-12-,20-19+,24-13-,25-14+,26-16-,27-18+
HMDB39097	Demethylbatatasin IV	OC1=CC(CCC2=C(O)C=CC=C2)=CC(O)=C1	InChI=1S/C14H14O3/c15-12-7-10(8-13(16)9-12)5-6-11-3-1-2-4-14(11)17/h1-4,7-9,15-17H,5-6H2
HMDB39096	N-gamma-Glutamyl-S-propylcysteine	CCCSCC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C11H20N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)
HMDB39095	Pentyl acetate	CCCCCOC(C)=O	InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
HMDB39094	(15Z,9'Z)-7,7',8,8',11,12-Hexahydrolycopene	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/C=C/C=C(/C)\C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15-,35-21-,36-22-,37-27+,38-28+,39-29+,40-30+
HMDB45995	TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB45994	TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB45997	TG(20:0/22:2(13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-
HMDB45996	TG(20:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,59H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b20-17-,29-26-,37-34-,46-43-
HMDB45991	TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,34,37-38,41,43,46,58H,4-8,10-11,13-16,19,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB45990	TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,32,34,37,43,46,58H,4-8,10-11,13-16,19,22-25,28,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,46-43-
HMDB45993	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB45992	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,45,48,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,48-45-
HMDB58795	CL(18:2(9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-38,40-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34,39,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,40-35-,41-36-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB45999	TG(20:0/22:2(13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,66H,4-16,18-19,21-25,27-28,30-65H2,1-3H3/b20-17-,29-26-
HMDB45998	TG(20:0/22:2(13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,64H,4-16,18-19,21-25,27-28,30-63H2,1-3H3/b20-17-,29-26-
HMDB49103	TG(18:1(11Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,37,40,53H,4-15,17-18,21-22,24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b19-16-,23-20-,27-25-,32-30-,40-37-
HMDB38050	alpha-Terpinyl cinnamate	CC1=CCC(CC1)C(C)(C)OC(=O)\C=C\C1=CC=CC=C1	InChI=1S/C19H24O2/c1-15-9-12-17(13-10-15)19(2,3)21-18(20)14-11-16-7-5-4-6-8-16/h4-9,11,14,17H,10,12-13H2,1-3H3/b14-11+
HMDB38051	alpha-Terpinyl anthranilate	CC1=CCC(CC1)C(C)(C)OC(=O)C1=CC=CC=C1N	InChI=1S/C17H23NO2/c1-12-8-10-13(11-9-12)17(2,3)20-16(19)14-6-4-5-7-15(14)18/h4-8,13H,9-11,18H2,1-3H3
HMDB38052	1-Ethoxy-3-methyl-2-butene	CCOCC=C(C)C	InChI=1S/C7H14O/c1-4-8-6-5-7(2)3/h5H,4,6H2,1-3H3
HMDB38053	Metaphosphoric acid (H6P6O18); Tri-Ca salt	[Ca++].[Ca++].[Ca++].O[P](=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)=O	InChI=1S/3Ca.H6O18P6/c;;;1-19(2,3)21(7,8,9)23(13,14,15)24(16,17,18)22(10,11,12)20(4,5)6/h;;;(H,1,2,3)(H,4,5,6)(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)/q3*+2;
HMDB38054	(R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one	OC1OC2=C(NC1=O)C=CC(O)=C2	InChI=1S/C8H7NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,8,10,12H,(H,9,11)
HMDB38055	2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one	COC1=CC2=C(NC(=O)C(O)O2)C=C1	InChI=1S/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11)
HMDB38056	delta-Tetradecalactone	CCCCCCCCCC1CCCC(=O)O1	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
HMDB38057	Dehydrophytosphingosine	CCCCCCCCC\C=C\CCCC(O)C(O)C(N)CO	InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+
HMDB38058	Glycerol 1-dodecanoate 2-tetradecanoate 3-octanoate	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC	InChI=1S/C37H70O6/c1-4-7-10-13-15-17-18-20-22-25-28-31-37(40)43-34(32-41-35(38)29-26-23-12-9-6-3)33-42-36(39)30-27-24-21-19-16-14-11-8-5-2/h34H,4-33H2,1-3H3
HMDB38059	Glycerol 1-(9Z-octadecenoate) 2-octanoate 3-tetradecanoate	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC	InChI=1S/C43H80O6/c1-4-7-10-13-15-17-19-20-21-22-24-26-28-31-33-36-42(45)48-39-40(49-43(46)37-34-29-12-9-6-3)38-47-41(44)35-32-30-27-25-23-18-16-14-11-8-5-2/h20-21,40H,4-19,22-39H2,1-3H3/b21-20+
HMDB30605	1,5-Dihydroxy-3-methoxy-2-prenylxanthone	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O2)C(O)=CC=C1	InChI=1S/C19H18O5/c1-10(2)7-8-11-14(23-3)9-15-16(17(11)21)18(22)12-5-4-6-13(20)19(12)24-15/h4-7,9,20-21H,8H2,1-3H3
HMDB30604	epsilon-Viniferin	OC1=CC=C(\C=C/C2=CC(O)=CC3=C2C(C(O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1	InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1-
HMDB30607	(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene	C\C(CCC1OC1(C)C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26,28,38H,16,25,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+
HMDB30606	1,7-Dihydroxy-3-methoxy-2-prenylxanthone	COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=CC(O)=CC=C1O2	InChI=1S/C19H18O5/c1-10(2)4-6-12-15(23-3)9-16-17(18(12)21)19(22)13-8-11(20)5-7-14(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3
HMDB30601	Edultin	C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(C)=O	InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-
HMDB30600	4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene	CC(C)\C=C\C1=C(O)C=C(\C=C/C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C19H20O4/c1-12(2)3-7-15-17(21)10-14(11-18(15)22)5-4-13-6-8-16(20)19(23)9-13/h3-12,20-23H,1-2H3/b5-4-,7-3+
HMDB30603	alpha-Viniferin	OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=CC(O)=CC2=C1C(C(O2)C1=CC=C(O)C=C1)C1=C2C3C(OC2=CC(O)=C1)C1=CC=C(O)C=C1	InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H
HMDB30602	Vescalagin	OC1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)OC1COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O	InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2
HMDB59268	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65,68-69,72,87-89,94H,5-9,11-13,15-20,24,29-31,36,40-42,49-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB59269	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65,69,87-89,94H,5-9,12-13,16-20,24,29-31,36,40-42,49-52,55,59,61-64,66-68,70-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-/t87?,88-,89-/m1/s1
HMDB30609	Xanthochymuside	OCC1OC(OC2=C(C3C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)C3=C(C(=O)CC(O3)C3=CC=C(O)C(O)=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C36H32O16/c37-12-25-30(45)32(47)33(48)36(52-25)51-24-11-21(44)26-20(43)10-22(14-3-6-17(40)18(41)7-14)49-35(26)28(24)29-31(46)27-19(42)8-16(39)9-23(27)50-34(29)13-1-4-15(38)5-2-13/h1-9,11,22,25,29-30,32-34,36-42,44-45,47-48H,10,12H2
HMDB30608	Xanthochymol	CC(C)=CCC1CC2(CC(CCC(C)=C)C(C)=C)C(O)=C(C(=O)C3=CC(O)=C(O)C=C3)C(=O)C(CC=C(C)C)(C2=O)C1(C)C	InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3
HMDB42746	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,44,47,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-
HMDB43698	TG(15:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,36,38,59H,4-7,9-10,12-16,18-19,21-24,29-35,37,39-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,38-36-
HMDB43699	TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,33-31-
HMDB43694	TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,32,53H,4-6,8-9,11-15,17-18,20-24,28,31,33-52H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,32-30-
HMDB43695	TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,55H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-54H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-
HMDB43696	TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,31-34,39,42,55H,4-7,9-10,12-16,18-19,21-24,29-30,35-38,40-41,43-54H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB43697	TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,36,57H,4-7,9-10,12-16,18-19,21-24,29-33,35,37-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-34-
HMDB43690	TG(15:0/20:4(8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,38,59H,4-7,9-10,12-16,18-19,21-25,27,29-35,37,39-58H2,1-3H3/b11-8-,20-17-,28-26-,38-36-
HMDB43691	TG(15:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,49H,4-6,8-9,11-14,17,20-23,26,29-48H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-
HMDB43692	TG(15:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28,30,51H,4-6,8-9,11-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,30-28-
HMDB43693	TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,32,53H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31,33-52H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,32-30-
HMDB53580	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,37,40-41,44,59H,4-8,10-11,13,15,20,22,24,29-30,34-36,38-39,42-43,45-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,44-41-
HMDB43517	TG(15:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,34,37,49H,4-14,17,20-23,26,29-33,35-36,38-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,37-34-
HMDB53587	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,37,40-41,44,46,49,59H,4-6,8,11,13,15,20,22,24,29-30,34-36,38-39,42-43,45,47-48,50-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,44-41-,49-46-
HMDB58781	CL(18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB53586	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,37,40-41,44,59H,4-6,8,11,13,15,20,22,24,29-30,34-36,38-39,42-43,45-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,44-41-
HMDB53589	TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h7,10,14-19,23-28,34,37,58H,4-6,8-9,11-13,20-22,29-33,35-36,38-57H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,26-23-,27-24-,28-25-,37-34-
HMDB53588	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h9,12-13,16,18,21-22,25,27,30,37,40,56H,4-8,10-11,14-15,17,19-20,23-24,26,28-29,31-36,38-39,41-55H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,30-27-,40-37-
HMDB36526	Myricanol 5-(6-galloylglucoside)	COC1=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1	InChI=1S/C34H40O14/c1-44-31-21-12-17(5-3-4-6-19(35)9-7-16-8-10-22(36)20(21)11-16)30(32(31)45-2)48-34-29(42)28(41)27(40)25(47-34)15-46-33(43)18-13-23(37)26(39)24(38)14-18/h8,10-14,19,25,27-29,34-42H,3-7,9,15H2,1-2H3
HMDB36527	Myricanol; 5-O-[a-L-Arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=C(OC2OC(COC3OC(O)(CO)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1	InChI=1S/C32H44O15/c1-42-27-19-12-16(5-3-4-6-17(34)9-7-15-8-10-20(35)18(19)11-15)26(28(27)43-2)46-31-24(38)23(37)22(36)21(45-31)13-44-30-25(39)29(40)32(41,14-33)47-30/h8,10-12,17,21-25,29-31,33-41H,3-7,9,13-14H2,1-2H3
HMDB36524	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide; (3b,6b,8bOH)-form, 6-(3-Chloro-2-hydroxy-2-methylbutanoyl)	CC(Cl)C(C)(O)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C12C	InChI=1S/C20H29ClO7/c1-9-14-15(27-17(24)19(5,25)11(3)21)18(4)10(2)13(22)7-6-12(18)8-20(14,26)28-16(9)23/h10-13,15,22,25-26H,6-8H2,1-5H3
HMDB36525	Myricanol 5-glucoside	COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1	InChI=1S/C27H36O10/c1-34-25-18-12-15(5-3-4-6-16(29)9-7-14-8-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h8,10-12,16,20-23,27-33H,3-7,9,13H2,1-2H3
HMDB36522	Verimol J	COC1=CC=C(CC(C)O)C(O)=C1	InChI=1S/C10H14O3/c1-7(11)5-8-3-4-9(13-2)6-10(8)12/h3-4,6-7,11-12H,5H2,1-2H3
HMDB36523	Licoagroside B	CC1=C(OC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)C(=O)C=CO1	InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)
HMDB49105	TG(18:1(11Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,34,37,55H,4-15,17-18,21-22,24,26,28,31-33,35-36,38-54H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,37-34-
HMDB36528	Myricanol 5-laminaribioside	COC1=C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1	InChI=1S/C33H46O15/c1-43-29-19-12-16(5-3-4-6-17(36)9-7-15-8-10-20(37)18(19)11-15)28(31(29)44-2)47-33-27(42)30(24(39)22(14-35)46-33)48-32-26(41)25(40)23(38)21(13-34)45-32/h8,10-12,17,21-27,30,32-42H,3-7,9,13-14H2,1-2H3
HMDB36529	Myricanol 5-beta-sophoroside	COC1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1	InChI=1S/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3
HMDB45409	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,31-32,34,38,41,59H,4-6,8-9,11-15,17-18,21-22,24,26-27,30,33,35-37,39-40,42-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,34-29-,41-38-
HMDB13639	8-[(aminomethyl)sulfanyl]-6-sulfanyloctanoic acid	NCSCCC(S)CCCCC(O)=O	InChI=1S/C9H19NO2S2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H,11,12)
HMDB58608	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,65,67,69,84-86,91H,5-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB32660	(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene	CS\C=C/C#C\C=C1\OC2(CCCO2)C=C1	InChI=1S/C13H14O2S/c1-16-11-4-2-3-6-12-7-9-13(15-12)8-5-10-14-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+
HMDB13633	12-KETE	CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
HMDB58602	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-39,42-43,45-48,52-54,57-58,60,64-65,69,85-87,92H,5-9,11-13,15-20,24,28-32,40-41,44,49-51,55-56,59,61-63,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,52-48-,57-53-,58-54-,64-60-,69-65-/t85?,86-,87-/m1/s1
HMDB13631	Oleoyl glycine	CCCCCCCC\C=C/CCCCCCCC(=O)NCC(O)=O	InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)/b10-9-
HMDB13630	20-HETE ethanolamide	OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO	InChI=1S/C22H37NO3/c24-20-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(26)23-19-21-25/h1,3-4,6-7,9-10,12,24-25H,2,5,8,11,13-21H2,(H,23,26)/b3-1-,6-4-,9-7-,12-10-
HMDB58607	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB13636	Pyrroloquinoline quinone	OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(O)=O)C(=O)C2=O	InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
HMDB58605	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-44,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,38-39,45-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58604	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27-32,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB34601	Hebevinoside XI	COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O	InChI=1S/C46H74O14/c1-23(2)13-12-14-24(3)34-31(58-42-38(53)36(51)39(57-26(5)48)32(59-42)22-55-25(4)47)20-46(10)40-30(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-37(52)35(50)29(49)21-56-41/h13,19,24,27,29-42,49-53H,12,14-18,20-22H2,1-11H3
HMDB34600	Hebevinoside X	COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C42H70O12/c1-21(2)11-10-12-22(3)30-27(52-38-35(49)33(47)32(46)28(19-43)53-38)18-42(8)36-26(50-9)17-24-23(40(36,6)15-16-41(30,42)7)13-14-29(39(24,4)5)54-37-34(48)31(45)25(44)20-51-37/h11,17,22-23,25-38,43-49H,10,12-16,18-20H2,1-9H3
HMDB34603	Hebevinoside XIII	CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(OC(C)=O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O	InChI=1S/C49H76O16/c1-24(2)14-13-15-25(3)37-33(63-45-39(56)38(55)41(61-28(6)52)35(64-45)22-58-26(4)50)21-49(12)43-32(54)20-31-30(47(43,10)18-19-48(37,49)11)16-17-36(46(31,8)9)65-44-40(57)42(62-29(7)53)34(23-59-44)60-27(5)51/h14,20,25,30,32-45,54-57H,13,15-19,21-23H2,1-12H3
HMDB34602	Hebevinoside XII	CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(CO)C(OC(C)=O)C(O)C1O	InChI=1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-35(51)33(49)36(53-23(4)45)29(19-44)55-39)18-43(9)37-26(46)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-34(50)32(48)27(47)20-52-38/h11,17,22,24,26-39,44,46-51H,10,12-16,18-20H2,1-9H3
HMDB15288	Trimetrexate	COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC	InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
HMDB15289	Bretylium	CC[N+](C)(C)CC1=CC=CC=C1Br	InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1
HMDB34607	Judeol	CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)=C23)C(O)=C(O)C(O)=C1.CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)=C23)C(O)=C(O)C=C1O	InChI=1S/2C23H30O7/c1-10-14(25)5-15(26)20(28)17(10)21(29)30-16-8-23(4)13-7-22(2,3)6-11(13)19(27)12(9-24)18(16)23;1-10-5-14(25)19(27)20(28)16(10)21(29)30-15-8-23(4)13-7-22(2,3)6-11(13)18(26)12(9-24)17(15)23/h5,11,13,16,19,24-28H,6-9H2,1-4H3;5,11,13,15,18,24-28H,6-9H2,1-4H3
HMDB34606	Hexyl propionate	CCCCCCOC(=O)CC	InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3
HMDB15284	Sertaconazole	ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl	InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2
HMDB15285	Thiamylal	CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O	InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
HMDB15286	Gemifloxacin	CO\N=C1/CN(CC1CN)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O	InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+
HMDB15280	Nefazodone	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1	InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
HMDB15281	Cefprozil	[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O	InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1
HMDB15282	Desipramine	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12	InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
HMDB15283	Candicidin	CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC2(O)CC(O)C(C(CC(OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C1C)O2)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1	InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-46(77-58-55(72)53(61)54(71)38(4)76-58)31-50-52(57(73)74)49(69)34-59(75,79-50)33-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)30-51(70)78-56(35)37(3)26-36(2)47(67)32-48(68)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-47,49-50,52-56,58,64-67,69,71-72,75H,17,19-20,26-34,60-61H2,1-4H3,(H,73,74)/b6-5-,9-7-,10-8-,13-11-,14-12-,18-15-,21-16-/t35?,36?,37?,38-,43?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58?,59?/m1/s1
HMDB29786	10-Oxo-11-octadecen-13-olide	CCCCCC1OC(=O)CCCCCCCCC(=O)\C=C\1	InChI=1S/C18H30O3/c1-2-3-8-12-17-15-14-16(19)11-9-6-4-5-7-10-13-18(20)21-17/h14-15,17H,2-13H2,1H3/b15-14+
HMDB29787	Kanzonol W	CC1(C)OC2=CC=C3C=C(C(=O)OC3=C2C=C1)C1=CC=C(O)C=C1O	InChI=1S/C20H16O5/c1-20(2)8-7-14-17(25-20)6-3-11-9-15(19(23)24-18(11)14)13-5-4-12(21)10-16(13)22/h3-10,21-22H,1-2H3
HMDB29784	Unshuoside A	CC(C)=CCCC(O)(COC1OC(CO)C(O)C(O)C1O)C=C	InChI=1S/C16H28O7/c1-4-16(21,7-5-6-10(2)3)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3
HMDB29785	Protoisoeruboside B	CC(CCC1(O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C57H96O30/c1-20(19-77-50-43(72)39(68)35(64)29(14-58)79-50)5-10-57(76)21(2)34-28(87-57)13-25-23-12-27(63)26-11-22(6-8-55(26,3)24(23)7-9-56(25,34)4)78-51-46(75)42(71)47(33(18-62)83-51)84-54-49(86-53-45(74)41(70)37(66)31(16-60)81-53)48(38(67)32(17-61)82-54)85-52-44(73)40(69)36(65)30(15-59)80-52/h20-54,58-76H,5-19H2,1-4H3
HMDB29782	Cucurbic acid; 6,7-Diepimer, O-b-D-glucopyranoside	CC\C=C\CC1C(CC(O)=O)CCC1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3+
HMDB29783	Mono-trans-p-coumaroylmesotartaric acid	OC(C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O)C(O)=O	InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+
HMDB29780	2alpha-Hydroxypyracrenic acid	CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC(O)=C(O)C=C6)C(C)(C)C5CCC34C)C12)C(O)=O	InChI=1S/C39H54O7/c1-22(2)24-14-17-39(34(44)45)19-18-37(6)25(32(24)39)10-12-30-36(5)21-28(42)33(35(3,4)29(36)15-16-38(30,37)7)46-31(43)13-9-23-8-11-26(40)27(41)20-23/h8-9,11,13,20,24-25,28-30,32-33,40-42H,1,10,12,14-19,21H2,2-7H3,(H,44,45)/b13-9+
HMDB29781	54-Deoxyciguatoxin	CC1C(C)C2(CCCO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C(O)CO	InChI=1S/C60H86O18/c1-29-22-42-44(25-48-54(75-42)31(3)52(64)58-55(76-48)30(2)32(4)60(78-58)20-9-21-66-60)72-46-27-51-59(5,77-47(46)23-29)50(63)26-45-36(73-51)12-7-6-11-35-37(70-45)16-17-39-38(68-35)18-19-40-43(69-39)24-49-57(74-40)53(65)56-41(71-49)13-8-10-34(67-56)15-14-33(62)28-61/h6-8,10,14-19,29-58,61-65H,9,11-13,20-28H2,1-5H3/b7-6-,15-14-
HMDB51440	TG(22:1(13Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,37,40,45,48,59H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-37-,48-45-
HMDB29788	Kanzonol V	CC(C)=CCC1=C(O)C=C2OC(=CC2=C1)C1=C2OC(C)(C)C=CC2=C(O)C=C1	InChI=1S/C24H24O4/c1-14(2)5-6-15-11-16-12-22(27-21(16)13-20(15)26)18-7-8-19(25)17-9-10-24(3,4)28-23(17)18/h5,7-13,25-26H,6H2,1-4H3
HMDB29789	Kanzonol U	CC1(C)OC2=C(C=CC(O)=C2C=C1)C1=CC2=CC=C(O)C=C2O1	InChI=1S/C19H16O4/c1-19(2)8-7-13-15(21)6-5-14(18(13)23-19)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3
HMDB39879	N-Acetoxymethylflindersine	CC(=O)OCN1C(=O)C2=C(OC(C)(C)C=C2)C2=C1C=CC=C2	InChI=1S/C17H17NO4/c1-11(19)21-10-18-14-7-5-4-6-12(14)15-13(16(18)20)8-9-17(2,3)22-15/h4-9H,10H2,1-3H3
HMDB39878	Vicinin 2	OCC1OC(OC2=C(O)C3=C(OC(=CC3=O)C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-12-15(32)18(35)20(37)26(41-12)43-24-17(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-23(14)25(22(24)39)44-27-21(38)19(36)16(33)13(7-29)42-27/h1-5,12-13,15-16,18-21,26-30,32-39H,6-7H2
HMDB39871	5-(12,15-Heneicosadienyl)-1,3-benzenediol	CCCCC\C=C/C\C=C/CCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h6-7,9-10,22-24,28-29H,2-5,8,11-21H2,1H3/b7-6-,10-9-
HMDB39870	5-(16-Heneicosenyl)-1,3-benzenediol	CCCC\C=C\CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h5-6,22-24,28-29H,2-4,7-21H2,1H3/b6-5+
HMDB39873	2-Naphthalenol 2-aminobenzoate	NC1=CC=CC=C1C(=O)OC1=CC2=C(C=CC=C2)C=C1	InChI=1S/C17H13NO2/c18-16-8-4-3-7-15(16)17(19)20-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,18H2
HMDB39872	2-Heptenoic acid, 9CI; Me ester	CCCC\C=C\C(=O)OC	InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h6-7H,3-5H2,1-2H3/b7-6+
HMDB39875	2-[(Ethylthio)methyl]furan	CCSCC1=CC=CO1	InChI=1S/C7H10OS/c1-2-9-6-7-4-3-5-8-7/h3-5H,2,6H2,1H3
HMDB39874	Furfuryl isovalerate	CC(C)CC(=O)OCC1=CC=CO1	InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
HMDB39877	Charine	NC1=NC(=O)C(OC2OCC(O)C(O)C2O)=C(N)N1.NC1=NC(O)=C(OC2OCC(O)C(O)C2O)C(N)=N1	InChI=1S/2C9H14N4O6/c2*10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2*2-4,8,14-16H,1H2,(H5,10,11,12,13,17)
HMDB39876	Fagopyritol A1	OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2
HMDB28789	Cysteinyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CS)C(O)=O	InChI=1S/C8H15N3O4S/c9-4(1-2-6(10)12)7(13)11-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)
HMDB28788	Cysteinyl-Valine	CC(C)C(N)C(=O)NC(CS)C(O)=O	InChI=1S/C8H16N2O3S/c1-4(2)6(9)7(11)10-5(3-14)8(12)13/h4-6,14H,3,9H2,1-2H3,(H,10,11)(H,12,13)
HMDB28785	Cysteinyl-Threonine	CC(O)C(N)C(=O)NC(CS)C(O)=O	InChI=1S/C7H14N2O4S/c1-3(10)5(8)6(11)9-4(2-14)7(12)13/h3-5,10,14H,2,8H2,1H3,(H,9,11)(H,12,13)
HMDB28784	Cysteinyl-Serine	NC(CO)C(=O)NC(CS)C(O)=O	InChI=1S/C6H12N2O4S/c7-3(1-9)5(10)8-4(2-13)6(11)12/h3-4,9,13H,1-2,7H2,(H,8,10)(H,11,12)
HMDB28787	Cysteinyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CS)C(O)=O	InChI=1S/C12H16N2O4S/c13-9(5-7-1-3-8(15)4-2-7)11(16)14-10(6-19)12(17)18/h1-4,9-10,15,19H,5-6,13H2,(H,14,16)(H,17,18)
HMDB28786	Cysteinyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CS)C(O)=O	InChI=1S/C14H17N3O3S/c15-10(13(18)17-12(7-21)14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20)
HMDB28781	Cysteinyl-Methionine	CSCCC(N)C(=O)NC(CS)C(O)=O	InChI=1S/C8H16N2O3S2/c1-15-3-2-5(9)7(11)10-6(4-14)8(12)13/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13)
HMDB28780	Cysteinyl-Lysine	NCCCCC(N)C(=O)NC(CS)C(O)=O	InChI=1S/C9H19N3O3S/c10-4-2-1-3-6(11)8(13)12-7(5-16)9(14)15/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)
HMDB28783	Cysteinyl-Proline	OC(=O)C(CS)NC(=O)C1CCCN1	InChI=1S/C8H14N2O3S/c11-7(5-2-1-3-9-5)10-6(4-14)8(12)13/h5-6,9,14H,1-4H2,(H,10,11)(H,12,13)
HMDB28782	Cysteinyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CS)C(O)=O	InChI=1S/C12H16N2O3S/c13-9(6-8-4-2-1-3-5-8)11(15)14-10(7-18)12(16)17/h1-5,9-10,18H,6-7,13H2,(H,14,15)(H,16,17)
HMDB56888	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,27,29,31,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB29438	L-Phosphoarginine	NC(CCCNC(=N)NP(O)(O)=O)C(O)=O	InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)
HMDB29439	(2S,4S)-Pinnatanine	NC(CC(O)C(=O)N\C=C(\CO)C=C)C(O)=O	InChI=1S/C10H16N2O5/c1-2-6(5-13)4-12-9(15)8(14)3-7(11)10(16)17/h2,4,7-8,13-14H,1,3,5,11H2,(H,12,15)(H,16,17)/b6-4+
HMDB45408	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,37,43,46,64H,4-7,9-10,12-16,18-19,21-24,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-34-,46-43-
HMDB29434	()-4-Methylene-2-pyrrolidinecarboxylic acid	OC(=O)C1CC(=C)CN1	InChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9)
HMDB29435	L-trans-4-Methyl-2-pyrrolidinecarboxylic acid	CC1CNC(C1)C(O)=O	InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)
HMDB29436	Penmacric acid	NC(C1CC(NC1=O)C(O)=O)C(O)=O	InChI=1S/C7H10N2O5/c8-4(7(13)14)2-1-3(6(11)12)9-5(2)10/h2-4H,1,8H2,(H,9,10)(H,11,12)(H,13,14)
HMDB29437	Nopalinic acid	NCCCC(NC(CCC(O)=O)C(O)=O)C(O)=O	InChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)
HMDB29430	Methionine sulfoximine	CS(=N)(=O)CCC(N)C(O)=O	InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)
HMDB29431	Furostane-3,22,26-triol; (3b,5a,22x,25S)-form, 22-Me ether, 3-O-[a-L-rhamnopyranosyl-(1-&gt;2)-[b-D-glucopyranosyl-(1-&gt;3)]-b-D-glucopyranoside], 26-O-b-D-glucopyranoside	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O	InChI=1S/C52H88O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h21-49,53-65H,7-20H2,1-6H3
HMDB29432	(S)C(S)S-S-Methylcysteine sulfoxide	CS(=O)CC(N)C(O)=O	InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
HMDB29433	L-2-Amino-4-methylenepentanedioic acid	NC(CC(=C)C(O)=O)C(O)=O	InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)
HMDB56887	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,27-29,31-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB30871	Isogentisin	COC1=CC=C2OC3=C(C(O)=CC(O)=C3)C(=O)C2=C1	InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3
HMDB56886	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB30759	(R)-Pterosin B	CC1CC2=C(C1=O)C(C)=C(CCO)C(C)=C2	InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3
HMDB37526	2,2',4,4',5,6'-Hexabromodiphenyl ether	BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1	InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H
HMDB30757	(S)-Pterosin A	CC1=CC2=C(C(=O)C(C)(CO)C2)C(C)=C1CCO	InChI=1S/C15H20O3/c1-9-6-11-7-15(3,8-17)14(18)13(11)10(2)12(9)4-5-16/h6,16-17H,4-5,7-8H2,1-3H3
HMDB58787	CL(18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB30756	13alpha-Hydroxydolineone	OC12C(COC3=CC4=C(OCO4)C=C13)OC1=CC3=C(C=CO3)C=C1C2=O	InChI=1S/C19H12O7/c20-18-10-3-9-1-2-22-12(9)5-13(10)26-17-7-23-14-6-16-15(24-8-25-16)4-11(14)19(17,18)21/h1-6,17,21H,7-8H2
HMDB56885	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB48758	TG(16:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-22,24,26-29,53H,4-7,9-10,12-16,18,23,25,30-52H2,1-3H3/b11-8-,20-17-,22-19-,24-21-,28-26-,29-27-
HMDB29116	Tyrosyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C20H21N3O4/c21-16(10-13-11-22-17-4-2-1-3-15(13)17)19(25)23-18(20(26)27)9-12-5-7-14(24)8-6-12/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)
HMDB14624	Raloxifene	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2	InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
HMDB14627	Brimonidine	BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C12	InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
HMDB14626	Gallamine Triethiodide	[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC	InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3
HMDB14621	Rimantadine	CC(N)C12CC3CC(CC(C3)C1)C2	InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
HMDB14620	Chlorpromazine	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2	InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
HMDB14623	Lenalidomide	NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O	InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
HMDB14622	Amikacin	NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O	InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
HMDB14629	Nabilone	[H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC	InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
HMDB14628	Dicloxacillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O	InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1
HMDB11569	MG(18:3(6Z,9Z,12Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,12-13,20,22-23H,2-5,8,11,14-19H2,1H3/b7-6-,10-9-,13-12-/t20-/m0/s1
HMDB11568	MG(18:2(9Z,12Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m0/s1
HMDB56813	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,62-64,66,68,83-85,90H,5-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-61,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB11565	MG(16:1(9Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m0/s1
HMDB11564	MG(16:0/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1
HMDB11567	MG(18:1(9Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1
HMDB11566	MG(18:1(11Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-/t20-/m0/s1
HMDB11561	MG(14:0/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCC	InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1
HMDB11560	MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-26(24-28)25-29/h3-4,6-7,9-10,12-13,15-16,18-19,26,28-29H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
HMDB11563	MG(15:0/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h17,19-20H,2-16H2,1H3/t17-/m0/s1
HMDB11562	MG(14:1(9Z)/0:0/0:0)	[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-/t16-/m0/s1
HMDB00766	N-Acetyl-L-alanine	C[C@H](NC(C)=O)C(O)=O	InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
HMDB52609	TG(18:2(9Z,12Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,37-38,41,63H,4-16,18-19,22-23,27,31-36,39-40,42-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-30-,41-38-
HMDB52608	TG(18:2(9Z,12Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3/h14,17,21,23-26,28,30,37,62H,4-13,15-16,18-20,22,27,29,31-36,38-61H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,37-30-
HMDB52605	TG(18:2(9Z,12Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,34,60H,4-19,21-22,24,26-27,30-33,35-59H2,1-3H3/b23-20-,28-25-,34-29-
HMDB52604	TG(18:2(9Z,12Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33,35,37,41,44,50,53,63H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,34,36,38-40,42-43,45-49,51-52,54-62H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,37-30-,44-41-,53-50-
HMDB52607	TG(18:2(9Z,12Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,35-36,41,44,61H,4-17,19,22,24,26,30-34,37-40,42-43,45-60H2,1-3H3/b21-18-,23-20-,28-25-,35-27-,36-29-,44-41-
HMDB52606	TG(18:2(9Z,12Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3/h20-21,23-25,28-30,36-37,62H,4-19,22,26-27,31-35,38-61H2,1-3H3/b23-20-,24-21-,28-25-,36-29-,37-30-
HMDB52601	TG(18:2(9Z,12Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35-36,39,61H,4-7,9-10,12-16,18-19,22-23,27,31-34,37-38,40-60H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-30-,39-36-
HMDB52600	TG(18:2(9Z,12Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,33-34,39,42,59H,4-8,10-11,13-17,19,22,24,26,30-32,35-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,33-27-,34-29-,42-39-
HMDB52603	TG(18:2(9Z,12Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33,35,37,41,44,63H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,34,36,38-40,42-43,45-62H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-,37-30-,44-41-
HMDB52602	TG(18:2(9Z,12Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,35-36,39,45,48,61H,4-7,9-10,12-16,18-19,22-23,27,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,35-30-,39-36-,48-45-
HMDB48755	TG(16:1(9Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,32,57H,4-15,17-18,22,26,29-31,33-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,32-28-
HMDB29113	Tyrosyl-Proline	OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1CCCN1	InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20)
HMDB00768	N-Acetyl-9-O-lactoylneuraminic acid	CC(O)C(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O	InChI=1S/C14H23NO11/c1-5(16)12(21)25-4-8(19)10(20)11-9(15-6(2)17)7(18)3-14(24,26-11)13(22)23/h5,7-11,16,18-20,24H,3-4H2,1-2H3,(H,15,17)(H,22,23)/t5?,7-,8+,9+,10+,11+,14-/m0/s1
HMDB46828	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB29111	Tyrosyl-Methionine	CSCCC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C14H20N2O4S/c1-21-7-6-11(15)13(18)16-12(14(19)20)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)
HMDB07148	DG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,30,32,39,42H,3-10,12,15,19,22-23,25,27-29,31,33-38H2,1-2H3/b13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1
HMDB07149	DG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,39,42H,3-4,6,8-10,12,15,19,22-23,25,27-38H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t39-/m0/s1
HMDB07140	DG(16:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,37,40H,3-10,12,15,19,21,23-36H2,1-2H3/b13-11-,16-14-,18-17-,22-20-/t37-/m0/s1
HMDB07141	DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,37,40H,3-10,12,15,19,21,23-25,27,29-36H2,1-2H3/b13-11-,16-14-,18-17-,22-20-,28-26-/t37-/m0/s1
HMDB07142	DG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,37,40H,3-4,6,8-10,12,15,19,21,23-36H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,22-20-/t37-/m0/s1
HMDB07143	DG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,26,28,37,40H,3-4,6,8-10,12,15,19,21,23-25,27,29-36H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,22-20-,28-26-/t37-/m0/s1
HMDB07144	DG(16:1(9Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16,39,42H,3-13,15,17-38H2,1-2H3/b16-14-/t39-/m0/s1
HMDB07145	DG(16:1(9Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16-18,39,42H,3-13,15,19-38H2,1-2H3/b16-14-,18-17-/t39-/m0/s1
HMDB07146	DG(16:1(9Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,39,42H,3-10,12,15,19-38H2,1-2H3/b13-11-,16-14-,18-17-/t39-/m0/s1
HMDB07147	DG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,39,42H,3-10,12,15,19,22-23,25,27-38H2,1-2H3/b13-11-,16-14-,18-17-,21-20-,26-24-/t39-/m0/s1
HMDB29110	Tyrosyl-Lysine	NCCCCC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C15H23N3O4/c16-8-2-1-3-12(17)14(20)18-13(15(21)22)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)
HMDB54528	TG(22:2(13Z,16Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,40-41,43-44,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-
HMDB54529	TG(22:2(13Z,16Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33,36,40-41,43-44,50,53,64H,4-6,8-9,11-15,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB54526	TG(22:2(13Z,16Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,38-39,41,62H,4-7,9-10,12-15,22-24,31-35,37,40,42-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-
HMDB54527	TG(22:2(13Z,16Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,36,38-39,41,45,48,62H,4-7,9-10,12-15,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB54524	TG(22:2(13Z,16Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,36,39,60H,4-8,10-11,13-15,22-24,30-33,35,37-38,40-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-
HMDB54525	TG(22:2(13Z,16Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34,36,39-40,43,60H,4-8,10-11,13-15,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-
HMDB54522	TG(22:2(13Z,16Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,40-41,43-44,64H,4-15,22-24,31-32,34-35,37-39,42,45-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-
HMDB54523	TG(22:2(13Z,16Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33,36,40-41,43-44,50,53,64H,4-15,22-24,31-32,34-35,37-39,42,45-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,53-50-
HMDB54520	TG(22:2(13Z,16Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,60H,4-13,15,18,20-22,24,27,29-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-
HMDB54521	TG(22:2(13Z,16Z)/20:3n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,40,43,64H,4-15,22-24,31-39,41-42,44-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB10382	LysoPC(16:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1
HMDB10383	LysoPC(16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1
HMDB10380	LysoPC(14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C22H44NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h8-9,21,24H,5-7,10-20H2,1-4H3/b9-8-/t21-/m1/s1
HMDB10381	LysoPC(15:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C23H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24(2,3)4/h22,25H,5-21H2,1-4H3/t22-/m1/s1
HMDB10386	LysoPC(18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1
HMDB10387	LysoPC(18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,15-16,25,28H,5-8,11,14,17-24H2,1-4H3/b10-9-,13-12-,16-15-/t25-/m1/s1
HMDB10384	LysoPC(18:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
HMDB10385	LysoPC(18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h10-11,25,28H,5-9,12-24H2,1-4H3/b11-10-/t25-/m1/s1
HMDB10388	LysoPC(18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1
HMDB10389	LysoPC(18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,15-16,25,28H,5,8,11,14,17-24H2,1-4H3/b7-6-,10-9-,13-12-,16-15-/t25-/m1/s1
HMDB07278	DG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,37,40H,3-10,15-16,21-22,27-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m0/s1
HMDB54294	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-44,46-47,60H,4-6,8,11,13-15,22-24,31-33,40-42,45,48-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB54295	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB12715	3-hydroxyoctadecanoyl-CoA	CCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t27-,28-,32+,33+,34?,38-/m1/s1
HMDB54297	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42,45,59H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB54290	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB54291	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-37,42,45,58H,4-7,10,13-15,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB54292	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-38,41-42,45,58H,4-7,10,13-15,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB12710	3-Dehydroquinate	O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C(O)=O	InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1
HMDB54298	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-48,60H,4-8,10-11,13-15,22-24,31-33,40-42,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB54299	TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-15,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB00499	5-Tetradecenoic acid	CCCCCCCC\C=C\CCCC(O)=O	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9+
HMDB00498	4-Deoxyerythronic acid	C[C@@H](O)[C@@H](O)C(O)=O	InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3-/m1/s1
HMDB00493	5a-Androstane-3b,17b-diol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1
HMDB00492	Chlorine	[Cl-]	InChI=1S/ClH/h1H/p-1
HMDB00491	3-Methyl-2-oxovaleric acid	CCC(C)C(=O)C(O)=O	InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
HMDB00490	Etiocholanolone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
HMDB00497	5,6-Dihydrouridine	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O	InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
HMDB00496	3-Methoxy-4-hydroxyphenylglycol glucuronide	COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)CO	InChI=1S/C15H20O10/c1-23-9-4-6(7(17)5-16)2-3-8(9)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,7,10-13,15-20H,5H2,1H3,(H,21,22)/t7?,10-,11-,12+,13-,15+/m0/s1
HMDB00495	Androstanediol	[H][C@@]12CCC(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17?,18-,19-/m0/s1
HMDB00494	Stigmastanol	[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](O)CC[C@]12C	InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1
HMDB59407	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,42-47,52-56,58,66,70,85-87,92H,5-8,11-12,15-20,24,28-32,39-41,48-51,57,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB59409	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-56,58,66,70,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,57,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB05784	Hydroxytyrosol	OCCC1=CC=C(O)C(O)=C1	InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
HMDB05785	Indole-3-carbinol	OCC1=CNC2=CC=CC=C12	InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
HMDB05786	Theaflavin-3-gallate	O[C@@H]1CC2=C(O[C@@H]1C1=CC3=C(C(O)=C(O)C(=C3)[C@H]3OC4=C(C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=CC(O)=C4)C(=O)C(O)=C1)C=C(O)C=C2O	InChI=1S/C36H28O16/c37-15-6-20(39)17-10-25(44)34(50-26(17)8-15)13-1-12-2-19(30(45)33(48)29(12)32(47)24(43)3-13)35-28(11-18-21(40)7-16(38)9-27(18)51-35)52-36(49)14-4-22(41)31(46)23(42)5-14/h1-9,25,28,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t25-,28-,34-,35-/m1/s1
HMDB48577	TG(16:1(9Z)/14:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27,29,50H,4-14,17,21-22,26,28,30-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,29-27-
HMDB05780	PE(O-16:1(1Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-,38-35-/t42-/m1/s1
HMDB05781	Glycitein	COC1=CC2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O	InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
HMDB05782	Hesperetin	COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
HMDB05783	Gingerol	CCCCCC(O)CC(=O)CCC1=CC=C(O)C(OC)=C1	InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
HMDB05788	Theaflavin	O[C@@H]1CC2=C(O[C@@H]1C1=CC3=C(C(O)=C1O)C(=O)C(O)=CC(=C3)[C@H]1OC3=C(C[C@H]1O)C(O)=CC(O)=C3)C=C(O)C=C2O	InChI=1S/C29H24O12/c30-12-4-17(32)14-8-20(35)28(40-22(14)6-12)11-1-10-2-16(25(37)27(39)24(10)26(38)19(34)3-11)29-21(36)9-15-18(33)5-13(31)7-23(15)41-29/h1-7,20-21,28-33,35-37,39H,8-9H2,(H,34,38)/t20-,21-,28-,29-/m1/s1
HMDB05789	Tetrahydrocurcumin	COC1=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
HMDB49227	TG(18:1(11Z)/14:1(9Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-24,51H,4-12,14,17,19,21,25-50H2,1-3H3/b16-13-,18-15-,23-20-,24-22-
HMDB49226	TG(18:1(11Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,31,33,50H,4-14,17,21-22,25,27-30,32,34-49H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,33-31-
HMDB49225	TG(18:1(11Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-20,22-23,26,28,51H,4-14,16-17,21,24-25,27,29-50H2,1-3H3/b18-15-,22-19-,23-20-,28-26-
HMDB49224	TG(18:1(11Z)/14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,56H,4-14,16-17,19,21-22,25,27-55H2,1-3H3/b18-15-,23-20-,26-24-
HMDB49223	TG(18:1(11Z)/14:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,54H,4-14,16-17,19,21-22,25,27-53H2,1-3H3/b18-15-,23-20-,26-24-
HMDB49222	TG(18:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,29,31,36,39,52H,4-14,16-17,19,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b18-15-,23-20-,26-24-,31-29-,39-36-
HMDB49221	TG(18:1(11Z)/14:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26,52H,4-14,16-17,19,21-22,25,27-51H2,1-3H3/b18-15-,23-20-,26-24-
HMDB49220	TG(18:1(11Z)/14:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,25,27,50H,4-14,16-17,20-21,23-24,26,28-49H2,1-3H3/b18-15-,22-19-,27-25-
HMDB49229	TG(18:1(11Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29,31,36,39,52H,4-14,17,21-22,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-29-,39-36-
HMDB49228	TG(18:1(11Z)/14:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29,31,52H,4-14,17,21-22,25,27-28,30,32-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-29-
HMDB53862	TG(20:3n6/20:2n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,35,57H,4-8,10-11,13,15,20,22,24,29-30,32,34,36-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-
HMDB57174	CL(18:0/18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35-37,39-40,42-43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,38,41,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57175	CL(18:0/18:1(9Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35,37,39,41,76-78,83H,5-24,26-28,30-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB57176	CL(18:0/18:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,35,37,39,41,76-78,83H,5-24,26-27,30-31,33-34,36,38,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB57177	CL(18:0/18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35-37,39-41,76-78,83H,5-24,26-28,30-34,38,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,39-35-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57170	CL(18:0/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,35-37,39-41,76-78,83H,5-24,26-28,30-34,38,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,39-35-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57171	CL(18:0/18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35-37,40-42,46,54,58,77-79,84H,5-20,22-24,26-32,34,38-39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,40-35-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57172	CL(18:0/18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,35-37,39-40,42-43,48,52,60,64,79-81,86H,5-20,22-24,26-32,34,38,41,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,42-35-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57173	CL(18:0/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35-37,39-40,42-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,34,38,41,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,42-35-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB57178	CL(18:0/18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,29-30,36-38,40-42,77-79,84H,5-24,27-28,31-35,39,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,40-36-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB57179	CL(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,35,37,40,42,44,52,56,77-79,84H,5-20,22-24,26-32,34,36,38-39,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,40-35-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB50999	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,28-29,31,33,35-36,39,52H,4-14,16,19,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b18-15-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB50998	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,29-30,32,37,40,53H,4-14,16-17,19,21-22,25,28,31,33-36,38-39,41-52H2,1-3H3/b18-15-,23-20-,26-24-,29-27-,32-30-,40-37-
HMDB50993	TG(20:3(5Z,8Z,11Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,40,43-44,47,49,52-53,56,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39,41-42,45-46,48,50-51,54-55,57-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-,56-53-
HMDB50992	TG(20:3(5Z,8Z,11Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB50991	TG(20:3(5Z,8Z,11Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,38-39,41-42,47-48,50-51,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB50990	TG(20:3(5Z,8Z,11Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,38-39,41-42,48,51,64H,4-7,9-10,12-16,18-19,21-25,28,31-37,40,43-47,49-50,52-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,41-38-,42-39-,51-48-
HMDB50997	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,34,36,41,44,58H,4-14,16-17,19-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,26-24-,27-25-,36-34-,44-41-
HMDB50996	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,32,34,39,42,56H,4-14,16-17,19-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,26-24-,27-25-,34-32-,42-39-
HMDB50995	TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,30-33,37-38,40-41,54H,4-14,16-17,19-23,28-29,34-36,39,42-53H2,1-3H3/b18-15-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB50994	TG(20:3(5Z,8Z,11Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h26,29,37,40,46,49,63H,4-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b29-26-,40-37-,49-46-
HMDB31714	Methylthiomethyl 2-methylbutanethiolate	CCC(C)C(=O)SCSC	InChI=1S/C7H14OS2/c1-4-6(2)7(8)10-5-9-3/h6H,4-5H2,1-3H3
HMDB31715	6-Hydroxydaidzein	OC1=CC=C(C=C1)C1=COC2=CC(O)=C(O)C=C2C1=O	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
HMDB31716	3-(Methylthio)-1-propanol	CSCCCO	InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
HMDB31717	3-(Methylthio)propyl acetate	CSCCCOC(C)=O	InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3
HMDB31710	1,9-Nonanedithiol	SCCCCCCCCCS	InChI=1S/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
HMDB31711	15-Hexadecanolide	CC1CCCCCCCCCCCCCC(=O)O1	InChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3
HMDB31712	()-Glycerol 1,2-diacetate	CC(=O)OCC(CO)OC(C)=O	InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
HMDB31713	2-Hydroxy-4-imino-2,5-cyclohexadienone	NC1=CC(=O)C(=O)C=C1.OC1=CC(=N)C=CC1=O	InChI=1S/2C6H5NO2/c2*7-4-1-2-5(8)6(9)3-4/h1-3H,7H2;1-3,7,9H
HMDB31718	(Methylthio)acetaldehyde	CSCC=O	InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3
HMDB31719	1,2,4,6-Tetrathiepane	C1SCSSCS1	InChI=1S/C3H6S4/c1-4-2-6-7-3-5-1/h1-3H2
HMDB07926	PC(14:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h13,15,44H,6-12,14,16-43H2,1-5H3/b15-13-/t44-/m1/s1
HMDB07927	PC(14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h13,15,19-20,44H,6-12,14,16-18,21-43H2,1-5H3/b15-13-,20-19-/t44-/m1/s1
HMDB07924	PC(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25,27,42H,6-7,9,11-12,17-18,21,24,26,28-41H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
HMDB07925	PC(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25,27,31,33,42H,6-7,9,11-12,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1
HMDB07922	PC(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,42H,6-12,17-18,21,24,26,28-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
HMDB07923	PC(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,31,33,42H,6-12,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1
HMDB07920	PC(14:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13,15,19-20,42H,6-12,14,16-18,21-41H2,1-5H3/b15-13-,20-19-/t42-/m1/s1
HMDB07921	PC(14:1(9Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13-16,19-20,42H,6-12,17-18,21-41H2,1-5H3/b15-13-,16-14-,20-19-/t42-/m1/s1
HMDB35408	1,10-Epoxygermacrone	CC(C)=C1C\C=C(C)/CCC2OC2(C)CC1=O	InChI=1S/C15H22O2/c1-10(2)12-7-5-11(3)6-8-14-15(4,17-14)9-13(12)16/h5,14H,6-9H2,1-4H3/b11-5-
HMDB35409	Ozone	O1OO1	InChI=1S/O3/c1-2-3-1
HMDB07928	PC(14:1(9Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39(3,4)5)35-44-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15,30,33,37H,6-12,14,16-29,31-32,34-36H2,1-5H3/b15-13-,33-30-
HMDB07929	PC(14:1(9Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,32,35,39H,6-12,14,16-31,33-34,36-38H2,1-5H3/b15-13-,35-32-
HMDB57358	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-9,12-13,16-20,24,28-32,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB57359	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB54174	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,49,52,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB53864	TG(20:3n6/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,34-37,59H,4-6,8-9,11-14,21-23,30-33,38-58H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-
HMDB02252	Benzoyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=CC=C1	InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1
HMDB02250	Dodecanoylcarnitine	CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1
HMDB02255	R-Methylmalonyl-CoA	C[C@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13?,16?,17?,18+,22?/m1/s1
HMDB54171	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,40,42,45-46,49,62H,4-8,10-11,13-16,19,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB02259	Heptadecanoic acid	CCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
HMDB58962	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,39-40,43-44,49-50,53-54,75-77,82H,5-20,23-24,27-32,37-38,41-42,45-48,51-52,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,35-33-,36-34-,43-39-,44-40-,53-49-,54-50-/t76-,77-/m1/s1
HMDB54170	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,40,46,49,62H,4-8,10-11,13-16,19,22-24,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,49-46-
HMDB54173	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38-39,41-42,47-48,50-51,64H,4-7,9-10,12-16,19,22-24,31-37,40,43-46,49,52-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,50-47-,51-48-
HMDB57354	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB54172	TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,38-39,41-42,48,51,64H,4-7,9-10,12-16,19,22-24,31-37,40,43-47,49-50,52-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,42-39-,51-48-
HMDB53865	TG(20:3n6/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,34-37,42,45,59H,4-6,8-9,11-14,21-23,30-33,38-41,43-44,46-58H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-
HMDB57355	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-65,68,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,66-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-/t85?,86-,87-/m1/s1
HMDB58963	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,41-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,27-32,35,38-40,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,44-41-,45-42-,55-51-,56-52-/t77?,78-,79-/m1/s1
HMDB54179	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-36,38-39,42,44,47,61H,4-15,18,22-23,27,31,33,37,40-41,43,45-46,48-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,47-44-
HMDB54178	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,35-36,38,44,47,61H,4-15,18,22-23,27,31-34,37,39-43,45-46,48-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-30-,38-36-,47-44-
HMDB30047	Neotigogenin	[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2	InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
HMDB30046	Asparagoside A	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3
HMDB30045	Isohumulinone A	CC(C)CC(=O)C1=C(O)C2(O)C3(O)CC(=C(C)C)C(C)(C)C3CC2(O)C1=O	InChI=1S/C21H30O6/c1-10(2)7-13(22)15-16(23)20(26)9-14-18(5,6)12(11(3)4)8-19(14,25)21(20,27)17(15)24/h10,14,24-27H,7-9H2,1-6H3
HMDB30044	Neriantogenin	CC12CCC3C(CCC4CC(O)CCC34C)C1C(O)C=C2C1=CC(=O)OC1	InChI=1S/C23H32O4/c1-22-7-5-15(24)10-14(22)3-4-16-17(22)6-8-23(2)18(11-19(25)21(16)23)13-9-20(26)27-12-13/h9,11,14-17,19,21,24-25H,3-8,10,12H2,1-2H3
HMDB30043	Isoaustin	CC1OC(=O)C23C(=C)C(C)(CC4=C(C)C5(C=CC(=O)OC5(C)C)C(CC24C)OC(C)=O)OC(=O)C13O	InChI=1S/C27H32O9/c1-13-17-11-24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(17,7)12-18(34-16(4)28)25(13)10-9-19(29)35-22(25,5)6/h9-10,15,18,32H,2,11-12H2,1,3-8H3
HMDB30042	Ginkgolide M	CC1C2C(OC1=O)C(O)C13C4OC(=O)C21OC1OC(=O)C(O)C31C(C4O)C(C)(C)C	InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3
HMDB30041	Lupulone	CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O	InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19-20,30H,10,13-15H2,1-8H3
HMDB30040	Melongoside O	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H74O19/c1-19(18-58-40-36(54)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-38(56)39(33(51)29(17-48)62-42)63-41-37(55)35(53)32(50)28(16-47)61-41/h5,19-20,22-42,46-57H,6-18H2,1-4H3
HMDB58960	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-68,71-72,88-90,95H,5-8,12,16-20,24,29-31,36,41-43,51-54,58,62-66,69-70,73-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-/t88?,89-,90-/m1/s1
HMDB30049	Dexamethasone	CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3
HMDB30048	Smilagenin	[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2	InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
HMDB58849	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-39,41-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-35,40,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB48273	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,32,35,54H,4-6,9,12-14,21-23,27,31,33-34,36-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-
HMDB58673	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-48,52-54,57-58,60,64-66,69-70,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,49-51,55-56,59,61-63,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,52-48-,57-53-,58-54-,64-60-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB51529	TG(22:1(13Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h15,18,20,23-24,26-27,31,55H,4-14,16-17,19,21-22,25,28-30,32-54H2,1-3H3/b18-15-,23-20-,26-24-,31-27-
HMDB51528	TG(22:1(13Z)/14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,60H,4-14,16-17,19-23,28-59H2,1-3H3/b18-15-,26-24-,27-25-
HMDB58848	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB56762	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-69-82(87)95-75-80(101-83(88)70-66-62-58-54-50-46-41-38-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-32-28-24-20-16-12-8-4)100-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-43,45,47,53,55,57,59,78-80,85H,5-20,23-24,28-30,32,35,39-40,44,46,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,36-33-,37-34-,41-38-,45-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1
HMDB56763	CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-41-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,42-44,46-48,54-56,58-60,79-81,86H,5-20,24,28-32,39-41,45,49-53,57,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,46-42-,47-43-,48-44-,58-54-,59-55-,60-56-/t79?,80-,81-/m1/s1
HMDB08314	PC(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,33,35,46H,6-8,10,12-14,16,18-19,24-26,28,30-32,34,36-45H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08315	PC(20:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,48H,6-20,22,24-47H2,1-5H3/b23-21-/t48-/m1/s1
HMDB08316	PC(20:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,48H,6-19,24-47H2,1-5H3/b22-20-,23-21-/t48-/m1/s1
HMDB08317	PC(20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,48H,6-13,15,17-19,24-47H2,1-5H3/b16-14-,22-20-,23-21-/t48-/m1/s1
HMDB08310	PC(20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,27,29,33,35,46H,6-19,24-26,28,30-32,34,36-45H2,1-5H3/b22-20-,23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08311	PC(20:1(11Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,46H,6-14,16,18-19,24-26,28,30-45H2,1-5H3/b17-15-,22-20-,23-21-,29-27-/t46-/m1/s1
HMDB08312	PC(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,46H,6-14,16,18-19,24-26,28,30-32,34,36-45H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-/t46-/m1/s1
HMDB08313	PC(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,46H,6-8,10,12-14,16,18-19,24-26,28,30-45H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-/t46-/m1/s1
HMDB51521	TG(22:1(13Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,38,44,47,64H,4-8,10-11,13-17,19-20,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,29-26-,38-27-,47-44-
HMDB03128	Cortolone	[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1
HMDB08318	PC(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,48H,6-13,15,17-19,24,26,28-30,32,34-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-/t48-/m1/s1
HMDB08319	PC(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,37,39,48H,6-13,15,17-19,24,26,28-30,32,34-36,38,40-47H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-,39-37-/t48-/m1/s1
HMDB51228	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-16,18-19,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB51229	TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,36-37,39-40,45-46,48-49,62H,4-15,17-18,20-24,31-35,38,41-44,47,50-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB58967	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(101-84(89)71-67-63-59-55-51-47-41-38-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-43,45-46,52-53,56-57,78-80,85H,5-20,23-24,28-30,32,35,39-40,44,47-51,54-55,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,36-33-,37-34-,41-38-,45-42-,46-43-,56-52-,57-53-/t78?,79-,80-/m1/s1
HMDB53943	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,37,42,45,60H,4-8,10-11,13-15,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-
HMDB58964	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-40,43-44,49-50,53-54,75-77,82H,5-20,23-24,28-30,32,37-38,41-42,45-48,51-52,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,35-33-,36-34-,43-39-,44-40-,53-49-,54-50-/t75?,76-,77-/m1/s1
HMDB56768	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,40,43,45-46,48-50,52,57-58,60-62,64,81-83,88H,5-20,24,28-32,39,41-42,44,47,51,53-56,59,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,49-45-,50-46-,52-48-,61-57-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB56769	CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,62-64,66,68,83-85,90H,5-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-61,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58965	CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,41-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,28-30,32,35,38-40,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,44-41-,45-42-,55-51-,56-52-/t77?,78-,79-/m1/s1
HMDB33028	N-Dihydroferuloyltyramine	COC1=CC(CCC(=O)NCCC2=CC=C(O)C=C2)=CC=C1O	InChI=1S/C18H21NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-4,6-8,12,20-21H,5,9-11H2,1H3,(H,19,22)
HMDB33029	delta5-Demissine	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C50H81NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h6,20-21,23-48,52-63H,5,7-19H2,1-4H3
HMDB33024	Ganoderic acid alpha	CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-23,27,36-37H,9-14H2,1-8H3,(H,39,40)
HMDB33025	Heterophylliin G	OC1OC2COC(=O)C3=CC(OC4=C(O)C(O)=C(O)C=C4C(=O)OC4OC5COC(=O)C6=CC(OC7=C(O)C(O)=C(O)C=C7C(=O)OC7OC8COC(=O)C9=C(C(O)=C(O)C(O)=C9)C9=C(O)C(O)=C(O)C=C9C(=O)OC8C(OC(=O)C8=CC(O)=C(O)C(O)=C8)C7OC(=O)C7=CC(O)=C(O)C(O)=C7)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	InChI=1S/C116H78O74/c117-34-1-20(2-35(118)63(34)131)100(157)183-95-92-51(18-173-102(159)22-5-38(121)65(133)77(145)53(22)54-23(106(163)181-92)6-39(122)66(134)78(54)146)178-115(98(95)187-101(158)21-3-36(119)64(132)37(120)4-21)189-112(169)32-13-46(129)73(141)87(155)89(32)176-49-16-31-62(86(154)76(49)144)60-25(8-41(124)72(140)84(60)152)107(164)182-93-52(19-174-104(31)161)179-116(99-96(93)185-109(166)27-10-43(126)68(136)80(148)56(27)58-29(111(168)188-99)12-45(128)70(138)82(58)150)190-113(170)33-14-47(130)74(142)88(156)90(33)175-48-15-30-61(85(153)75(48)143)59-24(7-40(123)71(139)83(59)151)105(162)180-91-50(17-172-103(30)160)177-114(171)97-94(91)184-108(165)26-9-42(125)67(135)79(147)55(26)57-28(110(167)186-97)11-44(127)69(137)81(57)149/h1-16,50-52,91-99,114-156,171H,17-19H2
HMDB33026	N-cis-Caffeoyltyramine	OC1=CC=C(CCNC(=O)\C=C\C2=CC=C(O)C(O)=C2)C=C1	InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
HMDB33027	Licoagrodione	COC1=CC(O)=C(C=C1)C(=O)C(=O)C1=CC=C(O)C(CC=C(C)C)=C1O	InChI=1S/C20H20O6/c1-11(2)4-6-13-16(21)9-8-15(18(13)23)20(25)19(24)14-7-5-12(26-3)10-17(14)22/h4-5,7-10,21-23H,6H2,1-3H3
HMDB33020	Ganodermanondiol	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3
HMDB33021	Pelargonidin 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside	COC1=C(O)C=CC(\C=C\C(=O)OC2C(C)OC(OCC3OC(OC4=CC5=C(C=C(O)C=C5OC5OC(CO)C(O)C(O)C5O)[O+]=C4C4=CC=C(O)C=C4)C(O)C(O)C3O)C(O)C2O)=C1	InChI=1S/C43H48O22/c1-17-39(65-30(48)10-4-18-3-9-23(47)26(11-18)57-2)35(53)38(56)41(59-17)58-16-29-32(50)34(52)37(55)43(64-29)62-27-14-22-24(60-40(27)19-5-7-20(45)8-6-19)12-21(46)13-25(22)61-42-36(54)33(51)31(49)28(15-44)63-42/h3-14,17,28-29,31-39,41-44,49-56H,15-16H2,1-2H3,(H2-,45,46,47,48)/p+1
HMDB33022	Ganosporeric acid A	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)
HMDB33023	7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)
HMDB31871	Methyl propyl trisulfide	CCCSSSC	InChI=1S/C4H10S3/c1-3-4-6-7-5-2/h3-4H2,1-2H3
HMDB31870	gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide	C\C=C\S(=O)CC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C11H18N2O6S/c1-2-5-20(19)6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+
HMDB31873	1,7-Diphenyl-4-hepten-3-one	O=C(CCC1=CC=CC=C1)\C=C\CCC1=CC=CC=C1	InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+
HMDB31872	Methyl propyl disulfide	CCCSSC	InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3
HMDB31875	Methyl (methylthio)methyl disulfide	CSCSSC	InChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3
HMDB31874	N-gamma-Glutamyl-S-allylcysteine	NC(CCC(=O)NC(CSCC=C)C(O)=O)C(O)=O	InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)
HMDB31877	Acetylsalvipisone	CC(C)C1=C(OC(C)=O)C(=O)C2=C(C=CC(C)=C2CCCC(C)=C)C1=O	InChI=1S/C22H26O4/c1-12(2)8-7-9-16-14(5)10-11-17-19(16)21(25)22(26-15(6)23)18(13(3)4)20(17)24/h10-11,13H,1,7-9H2,2-6H3
HMDB31876	Prenyl glucoside	CC(C)=CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h3,7-15H,4-5H2,1-2H3
HMDB31879	3,13-Dihydroxy-11-oleanen-28-oic acid; (3b,13b)-form, 11a,12a-Epoxide, 28-&gt;13 lactone, 3-Ac	CC(=O)OC1CCC2(C)C(CCC3(C)C2C2OC2C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C	InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3
HMDB31878	Physalin E acetate	CC(=O)OC1CC2(O)CC=CC(=O)C2(C)C2CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C12	InChI=1S/C30H34O12/c1-13(31)39-16-10-27(36)8-5-6-17(32)25(27,3)14-7-9-28(37)23(35)41-26(4)18-11-24(2)15(22(34)40-18)12-38-29(19(14)16)21(33)20(24)30(26,28)42-29/h5-6,14-16,18-20,36-37H,7-12H2,1-4H3
HMDB50173	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-33,36,39,45,48,58H,4-8,10-11,13-15,17,20,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-
HMDB50172	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-28,30-33,36,39,58H,4-8,10-11,13-15,17,20,22-24,29,34-35,37-38,40-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-
HMDB50175	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,37,54H,4-6,8,11,13-15,17,20,22-24,31-33,35-36,38-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-
HMDB50174	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,54H,4-6,8,11,13-15,17,20,22-24,31-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-
HMDB50177	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-32,34,40,43,56H,4-6,8,11,13-15,17,20,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-
HMDB50176	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-32,34,56H,4-6,8,11,13-15,17,20,22-24,29,33,35-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-
HMDB32993	2-Thiophenemethanol	OCC1=CC=CS1	InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
HMDB32992	4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 9CI; ()-form, 4-O-b-D-Glucopyranoside	CC1OC(C)=C(OC2OC(CO)C(O)C(O)C2O)C1=O	InChI=1S/C12H18O8/c1-4-7(14)11(5(2)18-4)20-12-10(17)9(16)8(15)6(3-13)19-12/h4,6,8-10,12-13,15-17H,3H2,1-2H3
HMDB32991	7-Methoxy-6-methyl-2H-1-benzopyran-2-one	COC1=CC2=C(C=CC(=O)O2)C=C1C	InChI=1S/C11H10O3/c1-7-5-8-3-4-11(12)14-10(8)6-9(7)13-2/h3-6H,1-2H3
HMDB32990	7-Hydroxy-6-methyl-2H-1-benzopyran-2-one	CC1=CC2=C(OC(=O)C=C2)C=C1O	InChI=1S/C10H8O3/c1-6-4-7-2-3-10(12)13-9(7)5-8(6)11/h2-5,11H,1H3
HMDB32997	2-Hydroxyxanthone	OC1=CC2=C(OC3=C(C=CC=C3)C2=O)C=C1	InChI=1S/C13H8O3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H
HMDB32996	2-Undecyl-4(1H)-quinolinone	CCCCCCCCCCCC1=CC(=O)C2=C(N1)C=CC=C2	InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)
HMDB32995	2-Undecyl-4(1H)-quinolinone N-oxide	CCCCCCCCCCCC1=CC(=O)C2=C(C=CC=C2)[N]1=O	InChI=1S/C20H28NO2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h11-12,14-16H,2-10,13H2,1H3
HMDB32994	3-Hydroxy-2H-pyran-2-one	OC1=CC=COC1=O	InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H
HMDB54881	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,8,11,13-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB54880	TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-45,49,52,64H,4-6,8,11,13-15,22-24,31-32,35,38-39,46-48,50-51,53-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-
HMDB32999	4-Hydroxyxanthone	OC1=CC=CC2=C1OC1=C(C=CC=C1)C2=O	InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H
HMDB32998	2-Methoxyxanthone	COC1=CC2=C(OC3=C(C=CC=C3)C2=O)C=C1	InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3
HMDB54885	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-36,40-41,43-44,62H,4-7,10,13-15,22-24,30-31,37-39,42,45-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-
HMDB54884	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-48,52,55,66H,4-8,10-11,13-15,22-24,31-33,40-42,49-51,53-54,56-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-
HMDB54887	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-7,10,13-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-
HMDB54886	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-36,40-45,62H,4-7,10,13-15,22-24,30-31,37-39,46-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-
HMDB08866	PE(14:1(9Z)/20:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,37H,3-9,11,13-36,40H2,1-2H3,(H,43,44)/b12-10-/t37-/m1/s1
HMDB08867	PE(14:1(9Z)/20:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,16-17,37H,3-9,11,13-15,18-36,40H2,1-2H3,(H,43,44)/b12-10-,17-16-/t37-/m1/s1
HMDB08864	PE(14:1(9Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,35H,3-4,6,8-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b7-5-,12-10-,13-11-,17-16-/t35-/m1/s1
HMDB08865	PE(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C37H64NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,20,22,35H,3-4,6,8-9,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b7-5-,12-10-,13-11-,17-16-,22-20-/t35-/m1/s1
HMDB08862	PE(14:1(9Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,35H,3-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-/t35-/m1/s1
HMDB08863	PE(14:1(9Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,20,22,35H,3-9,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-,22-20-/t35-/m1/s1
HMDB08860	PE(14:1(9Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12-13,15,35H,3-9,11,14,16-34,38H2,1-2H3,(H,41,42)/b12-10-,15-13-/t35-/m1/s1
HMDB08861	PE(14:1(9Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,16-17,35H,3-9,11,13-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,17-16-/t35-/m1/s1
HMDB08868	PE(14:1(9Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,37H,3-9,14-15,18-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-/t37-/m1/s1
HMDB08869	PE(14:1(9Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12,16-17,19-20,24,26,37H,3-9,11,13-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b12-10-,17-16-,20-19-,26-24-/t37-/m1/s1
HMDB09199	PE(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24-25,27-28,30,41H,3-5,7,9-11,13,15-16,20,23,26,29,31-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-/m1/s1
HMDB09198	PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,25,27,41H,3-5,7,9-10,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t41-/m1/s1
HMDB09195	PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,39H,3-4,9-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1
HMDB09194	PE(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23,25,39H,3-4,9-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-/m1/s1
HMDB09197	PE(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,41H,3-5,7,9-11,13,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,19-17-,21-18-,27-25-/t41-/m1/s1
HMDB09196	PE(18:4(6Z,9Z,12Z,15Z)/20:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,25,27,41H,3-5,7,9-11,13,15-17,19-20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-,27-25-/t41-/m1/s1
HMDB09191	PE(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,39H,3-4,6,8-10,12,14-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-,20-18-,25-23-/t39-/m1/s1
HMDB09190	PE(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,23,25,39H,3-4,6,8-10,12,15,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,16-14-,19-17-,25-23-/t39-/m1/s1
HMDB09193	PE(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,39H,3-4,6,8-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1
HMDB09192	PE(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,39H,3-4,6,8-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-/m1/s1
HMDB58840	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-40,42-46,49,53,82-84,89H,5-8,10-12,14-20,22-24,29,34-36,41,47-48,50-52,54-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,43-42-,44-38-,45-39-,46-40-,53-49-/t82?,83-,84-/m1/s1
HMDB42293	TG(14:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15-16,18-19,23-24,26-27,29,32,37,40,50H,4-14,17,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b18-15-,19-16-,24-23-,27-26-,32-29-,40-37-
HMDB42292	TG(14:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15-16,18-19,23-24,26-27,29,32,50H,4-14,17,20-22,25,28,30-31,33-49H2,1-3H3/b18-15-,19-16-,24-23-,27-26-,32-29-
HMDB42291	TG(14:0/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15-16,18-19,23-24,50H,4-14,17,20-22,25-49H2,1-3H3/b18-15-,19-16-,24-23-
HMDB42290	TG(14:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h15-16,18-19,23-24,26-27,32,35,48H,4-14,17,20-22,25,28-31,33-34,36-47H2,1-3H3/b18-15-,19-16-,24-23-,27-26-,35-32-
HMDB42297	TG(14:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,15-16,18-19,23-24,26-27,32,35,48H,4-6,8-9,11-14,17,20-22,25,28-31,33-34,36-47H2,1-3H3/b10-7-,18-15-,19-16-,24-23-,27-26-,35-32-
HMDB42296	TG(14:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,15-16,18-19,23-24,26-27,48H,4-6,8-9,11-14,17,20-22,25,28-47H2,1-3H3/b10-7-,18-15-,19-16-,24-23-,27-26-
HMDB29238	Cyanidin 3-O-(6''-acetyl-arabinoside)	[H]OC1=C([H])C(O[H])=C2C([H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C22H20O11/c1-9(23)30-8-18-19(28)20(29)22(33-18)32-17-7-12-14(26)5-11(24)6-16(12)31-21(17)10-2-3-13(25)15(27)4-10/h2-7,18-20,22,28-29H,8H2,1H3,(H3-,24,25,26,27)/p+1/t18-,19-,20+,22+/m1/s1
HMDB29239	p-Coumaroyl vitisin A	[H]OC(=O)C1=C([H])C2=C(OC3([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C4=C([H])C([H])=C(O[H])C([H])=C4[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C3=C2C(O1)=C([H])C(O[H])=C3[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C1[H]	InChI=1S/C35H30O16/c1-45-22-9-16(10-23(46-2)28(22)39)32-33(19-13-24(34(43)44)48-20-11-18(37)12-21(49-32)27(19)20)51-35-31(42)30(41)29(40)25(50-35)14-47-26(38)8-5-15-3-6-17(36)7-4-15/h3-13,25,29-31,35,40-42H,14H2,1-2H3,(H3-,36,37,38,39,43,44)/p+1/t25-,29-,30+,31-,35?/m1/s1
HMDB29236	Cyanidin 3-(6''-acetyl-galactoside)	[H]OC1=C([H])C(O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19+,20+,21-,23-/m1/s1
HMDB29237	Cyanidin 3-(6''-succinyl-glucoside)	[H]OC(=O)C([H])([H])C([H])([H])C(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(O[H])C([H])=C(O[H])C([H])=C3[O+]=C2C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/p+1/t18-,21-,22+,23-,25-/m1/s1
HMDB29234	N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid	OC(=O)CC(NC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O	InChI=1S/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+
HMDB29235	Mulberrofuran P	[H]OC1=C([H])C([H])=C(C(O[H])=C1[H])C12OC3=C([H])C(O[H])=C([H])C([H])=C3C3=C(O[H])C(=C([H])C(C4=C(O1)C([H])=C(C([H])=C4O[H])C1=C([H])C4=C(O1)C(O[H])=C([H])C([H])=C4[H])=C23)C([H])([H])[H]	InChI=1S/C34H22O9/c1-15-9-21-29-25(39)10-17(26-11-16-3-2-4-23(37)33(16)41-26)12-28(29)43-34(22-8-6-18(35)13-24(22)38)31(21)30(32(15)40)20-7-5-19(36)14-27(20)42-34/h2-14,35-40H,1H3
HMDB29232	3-hydroxyphenyllactate	OC(C(O)C1=CC=CC=C1)C(O)=O	InChI=1S/C9H10O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,12,13)
HMDB29233	3,4-Dihydroxyphenylvaleric acid	OC(=O)CCCCC1=CC(O)=C(O)C=C1	InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)
HMDB29230	4-hydroxystachydrine	[H]OC1C[C@H](C([O-])=O)[N+](C)(C)C1	InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5?,6-/m1/s1
HMDB29231	3-methyl-epicatechin	C[C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	InChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3/t15-,16-/m1/s1
HMDB58843	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-/t85?,86-,87-/m1/s1
HMDB32379	trans- and cis-1-Methoxy-1-decene	CCCCCCCCC=COC	InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11-12-2/h10-11H,3-9H2,1-2H3/b11-10+
HMDB32378	Methionyl butyrate	CCCC(=O)OCCCSC	InChI=1S/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3
HMDB32377	2,3 or 10-Mercaptopinane	CC1(C)C2CC1C(C)(S)CC2	InChI=1S/C10H18S/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3
HMDB32376	4-Mercapto-2-pentanone	CC(S)CC(C)=O	InChI=1S/C5H10OS/c1-4(6)3-5(2)7/h5,7H,3H2,1-2H3
HMDB32375	(+/-)-4-Mercapto-4-methyl-2-pentanol	CC(O)CC(C)(C)S	InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
HMDB32374	2-Mercapto-2-methyl-1-pentanol	CCCC(C)(S)CO	InChI=1S/C6H14OS/c1-3-4-6(2,8)5-7/h7-8H,3-5H2,1-2H3
HMDB32373	3-Mercapto-2-methyl-1-butanol	CCC(C)C(O)S	InChI=1S/C5H12OS/c1-3-4(2)5(6)7/h4-7H,3H2,1-2H3
HMDB32372	3-Mercaptoheptyl acetate	CCCCC(S)CCOC(C)=O	InChI=1S/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3
HMDB32371	1-Menthyl methyl ether	COC1CC(C)CCC1C(C)C	InChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3
HMDB32370	L-Menthyl (R,S)-3-hydroxybutyrate	CC(O)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	InChI=1S/C14H26O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1
HMDB58845	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,47,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1
HMDB42268	TG(14:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,38,41,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,41-38-
HMDB09739	PE(24:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C53H106NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51H,3-50,54H2,1-2H3,(H,57,58)/t51-/m1/s1
HMDB09738	PE(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,38,40,49H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,20-18-,28-25-,34-32-,40-38-/t49-/m1/s1
HMDB42269	TG(14:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,38,41,47,50,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b11-8-,20-17-,27-25-,34-32-,41-38-,50-47-
HMDB09731	PE(24:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,28,30,34,36,47H,3-5,7,9-11,13,15-17,19,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,30-28-,36-34-/t47-/m1/s1
HMDB09730	PE(24:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,28,30,47H,3-5,7,9-11,13,15-17,19,21-27,29,31-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,30-28-/t47-/m1/s1
HMDB09733	PE(24:0/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,49H,3-17,19,21-48,52H2,1-2H3,(H,55,56)/b20-18-/t49-/m1/s1
HMDB09732	PE(24:0/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H102NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h49H,3-48,52H2,1-2H3,(H,55,56)/t49-/m1/s1
HMDB09735	PE(24:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,49H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-,28-25-,34-32-/t49-/m1/s1
HMDB09734	PE(24:0/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C51H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,49H,3-11,13,15-17,19,21-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-/t49-/m1/s1
HMDB09737	PE(24:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,49H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,20-18-,28-25-,34-32-/t49-/m1/s1
HMDB09736	PE(24:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,38,40,49H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-,28-25-,34-32-,40-38-/t49-/m1/s1
HMDB37828	xi-3-Methyldodecane	CCCCCCCCCC(C)CC	InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3
HMDB37829	6-(3-Hexenyl)tetrahydro-2H-pyran-2-one	CC\C=C/CCC1CCCC(=O)O1	InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-
HMDB01508	dADP	NC1=NC=NC2=C1N=CN2C1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1	InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7?/m0/s1
HMDB01509	20-Hydroxy-leukotriene B4	OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
HMDB37820	Acetaldehyde butyl phenethyl acetal	CCCCOC(C)OCCC1=CC=CC=C1	InChI=1S/C14H22O2/c1-3-4-11-15-13(2)16-12-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
HMDB37821	xi-1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one	CC1(C)C2CCC1(C)OC(=O)C2	InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3
HMDB37822	Tridodecylamine	CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC	InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
HMDB01501	Guanosine diphosphate adenosine	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	InChI=1S/C20H26N10O14P2/c21-14-8-15(24-3-23-14)29(4-25-8)19-13(43-45(35,36)37)12(6(1-31)41-19)44-46(38,39)40-2-7-10(32)11(33)18(42-7)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
HMDB37824	7,13-Eperudien-15-oic acid	C\C(CCC1C(C)=CCC2C(C)(C)CCCC12C)=C\C(O)=O	InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h8,13,16-17H,6-7,9-12H2,1-5H3,(H,21,22)/b14-13-
HMDB01507	Diguanosine diphosphate	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O	InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(43-17)1-41-46(37,38)45-47(39,40)42-2-6-10(32)12(34)18(44-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
HMDB01504	Aminoparathion	CCOP(=S)(OCC)OC1=CC=C(N)C=C1	InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
HMDB37827	Monoglucuronylglycyrrhetinic acid	CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1O)C(O)=O	InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)
HMDB30836	Sitoindoside I	CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(CC)C(C)C)C(O)C(O)C1O	InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-49,53-55H,8-24,26-34H2,1-7H3
HMDB30837	Anethole	COC1=CC=C(\C=C/C)C=C1	InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-
HMDB30834	Americanin A	OCC1OC2=C(OC1C1=CC=C(O)C(O)=C1)C=CC(\C=C/C=O)=C2	InChI=1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1-
HMDB30835	trans-3,3',4',5,5',7-Hexahydroxyflavanone	OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H
HMDB30832	Amentoflavone	OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
HMDB30833	Bilobetin	COC1=CC=C(C=C1C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3
HMDB30830	3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid	CC1=C(C(O)=O)C(O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O	InChI=1S/C16H10O6/c1-6-11-8(5-10(18)12(6)16(21)22)14(19)7-3-2-4-9(17)13(7)15(11)20/h2-5,17-18H,1H3,(H,21,22)
HMDB30831	Alternariol	CC1=CC(O)=CC2=C1C1=C(C(=O)O2)C(O)=CC(O)=C1	InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
HMDB40422	Chamomillol	[H][C@@]12CCC(C)=C[C@]1([H])[C@](O)(CC[C@H]2C)C(C)C	InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m1/s1
HMDB40423	9-Octadecenoic acid, 9CI; (Z)-form, Na salt	[Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O	InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;
HMDB40420	Vinaginsenoside R6	CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(49)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)62-41-37(65-40-35(57)30(52)22(50)18-60-40)34(56)32(54)25(64-41)19-61-39-36(58)33(55)31(53)24(17-48)63-39/h20-41,48-59H,9-19H2,1-8H3
HMDB40421	Safficinolide	CC(C)C1=C(O)C2=C(C(C=O)=C1)C1(CCCC(C)(C)C1C(=O)O2)C=O	InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)14-16(15(13)23)25-18(24)17-19(3,4)6-5-7-20(14,17)10-22/h8-11,17,23H,5-7H2,1-4H3
HMDB40426	Isopropyl phenylacetate	CC(C)OC(=O)CC1=CC=CC=C1	InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
HMDB40427	Butyl phenylacetate	CCCCOC(=O)CC1=CC=CC=C1	InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
HMDB30838	4-(1-Propenyl)phenol, 9CI; (E)-form, O-(3-Methyl-2-butenyl)	C\C=C/C1=CC=C(OCC=C(C)C)C=C1	InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4-
HMDB30839	(Z)-4-(1-Propenyl)phenol	C\C=C/C1=CC=C(O)C=C1	InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2-7,10H,1H3/b3-2-
HMDB46149	TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-
HMDB46148	TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,36-37,39,60H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35,38,40-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-
HMDB46147	TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,32,34,37-38,41,58H,4-7,10,13-16,19,22-25,28,30-31,33,35-36,39-40,42-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,32-27-,37-34-,41-38-
HMDB42266	TG(14:0/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,34,36,58H,4-7,9-10,12-16,18-19,21-24,26,28-33,35,37-57H2,1-3H3/b11-8-,20-17-,27-25-,36-34-
HMDB46145	TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,49,52,62H,4-8,10-11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,52-49-
HMDB46144	TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32,35,38,40-41,43,62H,4-8,10-11,13-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-
HMDB46143	TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,38,41,62H,4-8,10-11,13-15,17,20,22-24,26,29,31-37,39-40,42-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,41-38-
HMDB46142	TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-
HMDB46141	TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,60H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-
HMDB42267	TG(14:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,34,36,42,45,58H,4-7,9-10,12-16,18-19,21-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,27-25-,36-34-,45-42-
HMDB47812	TG(14:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,36,39,52H,4-6,8-9,11-14,17,20-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,39-36-
HMDB47813	TG(14:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,32,35,54H,4-6,8-9,11-14,17,20-23,25,27,30-31,33-34,36-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,35-32-
HMDB47810	TG(14:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,31,34,50H,4-6,8-9,11-14,17,20-23,25,27-30,32-33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,34-31-
HMDB47811	TG(14:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,52H,4-6,8-9,11-14,17,20-23,25,27-28,31-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-
HMDB47816	TG(14:1(9Z)/20:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14-15,17-18,48H,4-13,16,19-47H2,1-3H3/b17-14-,18-15-
HMDB47817	TG(14:1(9Z)/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,20,23,50H,4-14,16-17,19,21-22,24-49H2,1-3H3/b18-15-,23-20-
HMDB47814	TG(14:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,32,35,41,44,54H,4-6,8-9,11-14,17,20-23,25,27,30-31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,35-32-,44-41-
HMDB47815	TG(14:1(9Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-
HMDB47818	TG(14:1(9Z)/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-
HMDB47819	TG(14:1(9Z)/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,25,28,52H,4-14,16-17,19-24,26-27,29-51H2,1-3H3/b18-15-,28-25-
HMDB56996	CL(18:0/18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,35,37,39-40,42,48,52,60,64,79-81,86H,5-20,22-24,26-32,34,36,38,41,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB43932	TG(16:0/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,56H,4-15,17-18,20-24,26,28,31-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,30-29-,37-34-
HMDB33569	Syoyualdehyde	CC(=O)C(\C)=C/C=O	InChI=1S/C6H8O2/c1-5(3-4-7)6(2)8/h3-4H,1-2H3/b5-3-
HMDB33568	5-Oxohexanal	CC(=O)CCCC=O	InChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h5H,2-4H2,1H3
HMDB33561	2-Acetyl-4,5-dihydrothiazole	CC(=O)C1=NCCS1	InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3
HMDB33560	(E)-5-(3,4,5,6-Tetrahydro-3-pyridylidenemethyl)-2-furanmethanol	OCC1=CC=C(O1)\C=C1\CCCN=C1	InChI=1S/C11H13NO2/c13-8-11-4-3-10(14-11)6-9-2-1-5-12-7-9/h3-4,6-7,13H,1-2,5,8H2/b9-6-
HMDB33563	5-Hydroxy-1,4-naphthoquinone; O-b-D-Glucopyranoside	OCC1OC(OC2=CC=CC3=C2C(=O)C=CC3=O)C(O)C(O)C1O	InChI=1S/C16H16O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-17,20-22H,6H2
HMDB33562	3-Methyl-2-phenylbutanal	CC(C)C(C=O)C1=CC=CC=C1	InChI=1S/C11H14O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-9,11H,1-2H3
HMDB33565	2,3-Dihydro-5-methylthiophene	CC1=CCCS1	InChI=1S/C5H8S/c1-5-3-2-4-6-5/h3H,2,4H2,1H3
HMDB33564	2,3-Dihydro-2-methylthiophene	CC1CC=CS1	InChI=1S/C5H8S/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3
HMDB33567	Cyclotetradecane	C1CCCCCCCCCCCCC1	InChI=1S/C14H28/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H2
HMDB33566	Ajoene	C=CCSS\C=C/CS(=O)CC=C	InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-
HMDB39688	Tuberonone	CC(C)C1CC(O)C(=C)C2CCC(C12)C(C)=O	InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3
HMDB39689	21-Hydroxyisoglabrolide	CC12CC3(OC1=O)C1=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CCC3(C)CC2O	InChI=1S/C30H44O5/c1-24(2)18-8-11-29(7)22(26(18,4)10-9-20(24)32)17(31)14-19-28(29,6)13-12-25(3)15-21(33)27(5)16-30(19,25)35-23(27)34/h14,18,20-22,32-33H,8-13,15-16H2,1-7H3
HMDB39682	2,3,4,5,6,7-Hexahydro-7-methylcyclopent[b]azepin-8(1H)-one	CC1CC2=C(NCCCC2)C1=O	InChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h7,11H,2-6H2,1H3
HMDB39683	7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one	CCC1CC2=C(NCCCC2)C1=O	InChI=1S/C11H17NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h8,12H,2-7H2,1H3
HMDB39680	3,5,5-Trimethyl-1,2-cyclopentanedione	CC1CC(C)(C)C(=O)C1=O.CC1=C(O)C(=O)C(C)(C)C1	InChI=1S/2C8H12O2/c2*1-5-4-8(2,3)7(10)6(5)9/h9H,4H2,1-3H3;5H,4H2,1-3H3
HMDB39681	3-Isopropyl-1,2-cyclopentanedione	CC(C)C1CCC(=O)C1=O.CC(C)C1=C(O)C(=O)CC1	InChI=1S/2C8H12O2/c2*1-5(2)6-3-4-7(9)8(6)10/h5,10H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
HMDB39686	trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one	CC1C=C(N2CCCC2)C(=O)C1C	InChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3
HMDB39687	Oryzalexin S	CC1=CC2CCC3C(C)(CO)CC(O)CC3(C)C22CCC1C2	InChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3
HMDB39684	2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one	CC1C(C)C2=C(NCCCC2)C1=O	InChI=1S/C11H17NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h7-8,12H,3-6H2,1-2H3
HMDB39685	8-Ocimenyl acetate	CC(=O)OC\C(C)=C\C\C=C(/C)C=C	InChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,7-8H,1,6,9H2,2-4H3/b10-7+,11-8+
HMDB34021	Artobiloxanthone	CC(=C)C1CC2=C(OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C2=O)C2=C1C(O)=C(O)C=C2O	InChI=1S/C25H22O7/c1-10(2)12-7-13-21(29)20-15(27)9-17-11(5-6-25(3,4)32-17)23(20)31-24(13)19-14(26)8-16(28)22(30)18(12)19/h5-6,8-9,12,26-28,30H,1,7H2,2-4H3
HMDB34020	Cajaisoflavone	COC1=CC(O)=C(CC=C(C)C)C(O)=C1C1=COC2=CC3=C(C=CC(C)(C)O3)C(O)=C2C1=O	InChI=1S/C26H26O7/c1-13(2)6-7-14-17(27)10-19(31-5)21(23(14)28)16-12-32-20-11-18-15(8-9-26(3,4)33-18)24(29)22(20)25(16)30/h6,8-12,27-29H,7H2,1-5H3
HMDB34023	Isosalicin	OCC1OC(OCC2=C(O)C=CC=C2)C(O)C(O)C1O	InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2
HMDB34022	6-Hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid	OC1=CC=C2C=C(C=CC2=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
HMDB34025	Cristacarpin	COC1=C(CC=C(C)C)C2=C(C=C1)C1(O)COC3=CC(O)=CC=C3C1O2	InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3
HMDB34024	Isosativan	COC1=CC(O)=C(C=C1)C1COC2=CC(OC)=CC=C2C1	InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3
HMDB31059	2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid	OC(=O)C1=C(O)C=CC=C1CCCCCCC\C=C\C\C=C\CC=C	InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4+,8-7+
HMDB31058	Sciadonic acid	CCCCC\C=C\C\C=C\CCCC\C=C/CCCC(O)=O	InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,16-15-
HMDB31057	(R)-2-Hydroxyhexadecanoic acid	CCCCCCCCCCCCCCC(O)C(O)=O	InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
HMDB31056	8-Hydroxy-14,16-hentriacontanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC(O)CCCCCCC	InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-26-30(33)28-31(34)27-23-19-22-25-29(32)24-20-17-8-6-4-2/h29,32H,3-28H2,1-2H3
HMDB31055	(Z)-10-Hydroxy-8-decene-4,6-diynoic acid	OC\C=C/C#CC#CCCC(O)=O	InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,6,8-9H2,(H,12,13)/b7-5-
HMDB31054	10-Hydroxy-2,8-decadiene-4,6-diynoic acid	OC\C=C/C#CC#C\C=C\C(O)=O	InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-8,11H,9H2,(H,12,13)/b7-5-,8-6+
HMDB31053	(E)-6-Hexadecenoic acid	CCCCCCCCC\C=C\CCCCC(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10+
HMDB31052	2-Hexadecanone	CCCCCCCCCCCCCCC(C)=O	InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
HMDB31051	2,4-Hexadecadienoic acid, 9CI; (2E,4Z)-form, Et ester	CCCCCCCCCCC\C=C/C=C/C(=O)OCC	InChI=1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h14-17H,3-13H2,1-2H3/b15-14-,17-16+
HMDB31050	2,4-Hexadecadienoic acid, 9CI; (2E,4Z)-form, Me ester	CCCCCCCCCCC\C=C/C=C/C(=O)OC	InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h13-16H,3-12H2,1-2H3/b14-13-,16-15+
HMDB44435	TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,39,42,60H,4-15,18,21-24,29-31,33,35-38,40-41,43-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,42-39-
HMDB44434	TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,40,42,45,58H,4-15,18,21-24,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB44437	TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,47,50,60H,4-15,18,21-24,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-
HMDB44436	TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,60H,4-15,18,21-24,29-30,35-37,40,43-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB44431	TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35,37-38,40,56H,4-15,18,21-24,28,32-34,36,39,41-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-
HMDB44430	TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,36,39,57H,4-15,17-18,21-22,24,26,29,33-35,37-38,40-56H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,39-36-
HMDB44433	TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,40,58H,4-15,18,21-24,29,31,34-35,38-39,41-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-
HMDB44432	TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,36,39,57H,4-13,15,18,20-22,24,28-29,32-35,37-38,40-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,39-36-
HMDB44439	TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37-38,40,56H,4-7,9-10,12-15,18,21-24,28,32-34,36,39,41-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-
HMDB44438	TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,38,56H,4-7,9-10,12-15,18,21-24,28,32-34,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-
HMDB36881	Germacrone-13-al	C\C(C=O)=C1\C\C=C(C)/CC\C=C(C)/CC1=O	InChI=1S/C15H20O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6-,14-13+
HMDB36880	1,6,9-Farnesatriene-3,11-diol	C\C(C\C=C\C(C)(C)O)=C\CCC(C)(O)C=C	InChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10-
HMDB36883	Citranaxanthin	CC(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C33H44O/c1-26(16-11-18-28(3)21-23-31(6)34)14-9-10-15-27(2)17-12-19-29(4)22-24-32-30(5)20-13-25-33(32,7)8/h9-12,14-19,21-24H,13,20,25H2,1-8H3/b10-9+,16-11+,17-12+,23-21+,24-22+,26-14+,27-15+,28-18+,29-19-
HMDB36882	Reticulataxanthin	CC(=O)\C=C/C(/C)=C/C=C\C(\C)=C\C=C\C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C	InChI=1S/C33H44O2/c1-25(15-11-17-27(3)19-21-30(6)34)13-9-10-14-26(2)16-12-18-28(4)20-22-32-29(5)23-31(35)24-33(32,7)8/h9-22,31,35H,23-24H2,1-8H3/b10-9+,15-11-,16-12+,21-19-,22-20+,25-13+,26-14-,27-17+,28-18-
HMDB36885	3-Hydroxy-8'-apo-epsilon-caroten-8'-al	C\C(C=O)=C\C=C/C(/C)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1C(C)=CC(O)CC1(C)C	InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-20,22,28-29,32H,21H2,1-7H3/b9-8-,14-10+,15-11-,19-18+,23-12+,24-13+,25-16-,26-17-
HMDB36884	7',8'-Dihydro-8'-hydroxycitraniaxanthin	CC(=O)C1OC1(O)C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C33H44O3/c1-24(16-11-17-26(3)21-22-30-27(4)19-13-23-32(30,7)8)14-9-10-15-25(2)18-12-20-28(5)33(35)31(36-33)29(6)34/h9-12,14-18,20-22,31,35H,13,19,23H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,24-14+,25-15-,26-17-,28-20+
HMDB36887	10'-Apo-beta-caroten-10'-al	C\C(\C=C\C=O)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7-,14-9+,16-11+,19-18+,22-12+,23-13+,24-15-
HMDB36886	beta-Carotinal	C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17-,27-18+
HMDB36889	11-Dihydro-12-norneoquassin	COC1=CC(C)C2CC3OC(O)CC4C(C)C(=O)C(O)C(C34C)C2(C)C1=O	InChI=1S/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14-15,17-18,22,24H,7-8H2,1-5H3
HMDB36888	Quassimarin	CCC(C)(OC(C)=O)C(=O)OC1C2C3(C)OCC22C(CC4C(C)=CC(=O)C(O)C4(C)C2C(O)C3O)OC1=O	InChI=1S/C27H36O11/c1-7-24(4,38-12(3)28)23(34)37-17-19-26(6)21(32)16(30)18-25(5)13(11(2)8-14(29)20(25)31)9-15(36-22(17)33)27(18,19)10-35-26/h8,13,15-21,30-32H,7,9-10H2,1-6H3
HMDB39530	Ethyl icosapentate	CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
HMDB39531	Ethoxyquin	CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1	InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
HMDB39532	(6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one	CC\C=C\C\C=C/C\C=C\CCCC(C)=O	InChI=1S/C15H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3/b5-4+,8-7-,11-10+
HMDB39533	(E)-10-Hydroxy-8-decenoic acid	OC\C=C\CCCCCCC(O)=O	InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,1-4,6,8-9H2,(H,12,13)/b7-5+
HMDB39534	Panaxydol chlorohydrin	CCCCCCCC(Cl)C(O)CC#CC#CC(O)C=C	InChI=1S/C17H25ClO2/c1-3-5-6-7-10-13-16(18)17(20)14-11-8-9-12-15(19)4-2/h4,15-17,19-20H,2-3,5-7,10,13-14H2,1H3
HMDB07519	DG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29,31,41,44H,3-5,7,9-10,15-16,21-22,27-28,30,32-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1
HMDB39536	4-Hydroxy-16,18-tritriacontanedione	CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCC(O)CCC	InChI=1S/C33H64O3/c1-3-5-6-7-8-9-10-11-12-14-18-21-24-28-32(35)30-33(36)29-25-22-19-16-13-15-17-20-23-27-31(34)26-4-2/h31,34H,3-30H2,1-2H3
HMDB39537	18-Hydroxy-16-tritriacontanone	CCCCCCCCCCCCCCCC(O)CC(=O)CCCCCCCCCCCCCCC	InChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,34H,3-31H2,1-2H3
HMDB29115	Tyrosyl-Threonine	CC(O)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C13H18N2O5/c1-7(16)11(14)12(18)15-10(13(19)20)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)
HMDB39539	13-Tetradecene-1,3-diyne-6,7-diol	OC(CCCCCC=C)C(O)CC#CC#C	InChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2
HMDB07518	DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,41,44H,3-10,15-16,21-22,27-28,33-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1
HMDB50385	TG(20:1(11Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,62H,4-15,17-18,20-24,27,30-61H2,1-3H3/b19-16-,28-25-,29-26-
HMDB07515	DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,41,44H,3-10,15-16,21-22,24,26-28,30,32-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1
HMDB38487	Cyanidin 3-sophoroside 5-glucoside	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC3=C([O+]=C4C=C(O)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4=C3)C3=CC(O)=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C33H40O21/c34-7-18-21(40)24(43)27(46)31(51-18)49-16-5-11(37)4-15-12(16)6-17(29(48-15)10-1-2-13(38)14(39)3-10)50-33-30(26(45)23(42)20(9-36)53-33)54-32-28(47)25(44)22(41)19(8-35)52-32/h1-6,18-28,30-36,40-47H,7-9H2,(H2-,37,38,39)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,30-,31-,32+,33+/m1/s1
HMDB38486	Tetraphyllin B sulfate	OCC1OC(OC2(CC(OS(O)(=O)=O)C=C2)C#N)C(O)C(O)C1O	InChI=1S/C12H17NO10S/c13-5-12(2-1-6(3-12)23-24(18,19)20)22-11-10(17)9(16)8(15)7(4-14)21-11/h1-2,6-11,14-17H,3-4H2,(H,18,19,20)
HMDB38485	5-Pentacosyl-1,3-benzenediol	CCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3
HMDB38484	Auxin b	CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(=O)CC(O)=O	InChI=1S/C18H30O4/c1-5-11(3)13-7-15(12(4)6-2)16(8-13)17(20)9-14(19)10-18(21)22/h8,11-13,15,17,20H,5-7,9-10H2,1-4H3,(H,21,22)
HMDB38483	Auxin a	CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(O)C(O)C(O)=O	InChI=1S/C18H32O5/c1-5-10(3)12-7-13(11(4)6-2)14(8-12)15(19)9-16(20)17(21)18(22)23/h8,10-13,15-17,19-21H,5-7,9H2,1-4H3,(H,22,23)
HMDB38482	Neolinustatin	CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C#N	InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3
HMDB38481	Gancaonin A	COC1=CC=C(C=C1)C1=COC2=CC(O)=C(CC=C(C)C)C(O)=C2C1=O	InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
HMDB38480	Gancaonin G	COC1=C(CC=C(C)C)C(O)=C2C(=O)C(=COC2=C1)C1=CC=C(O)C=C1	InChI=1S/C21H20O5/c1-12(2)4-9-15-17(25-3)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(22)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
HMDB38489	Allolactose	OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O.OCC1OC(OCC(O)C2OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/3C12H22O11/c13-1-4-5(15)6(16)9(19)12(22-4)21-2-3(14)10-7(17)8(18)11(20)23-10;13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4;13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h2*3-20H,1-2H2;1,4-12,14-21H,2-3H2
HMDB38488	Gancaonin B	COC1=CC=C(C=C1O)C1=COC2=CC(O)=C(CC=C(C)C)C(O)=C2C1=O	InChI=1S/C21H20O6/c1-11(2)4-6-13-15(22)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-17(26-3)16(23)8-12/h4-5,7-10,22-24H,6H2,1-3H3
HMDB07876	PC(14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h8,10,14,16,19-20,38H,6-7,9,11-13,15,17-18,21-37H2,1-5H3/b10-8-,16-14-,20-19-/t38-/m1/s1
HMDB07877	PC(14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h8,10,14,16,19-20,23,25,38H,6-7,9,11-13,15,17-18,21-22,24,26-37H2,1-5H3/b10-8-,16-14-,20-19-,25-23-/t38-/m1/s1
HMDB35516	5-Decanoyl-2-nonylpyridine	CCCCCCCCCC(=O)C1=CC=C(CCCCCCCCC)N=C1	InChI=1S/C24H41NO/c1-3-5-7-9-11-13-15-17-23-20-19-22(21-25-23)24(26)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3
HMDB35517	1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone]	CCCCCCCCCC1C(=CNC=C1C(=O)CCCCCCCCC)C(=O)CCCCCCCCC	InChI=1S/C34H61NO2/c1-4-7-10-13-16-19-22-25-30-31(33(36)26-23-20-17-14-11-8-5-2)28-35-29-32(30)34(37)27-24-21-18-15-12-9-6-3/h28-30,35H,4-27H2,1-3H3
HMDB50389	TG(20:1(11Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,32,38,41,58H,4-8,10-11,13-17,19-20,22-24,26,29-31,33-37,39-40,42-57H2,1-3H3/b12-9-,21-18-,28-25-,32-27-,41-38-
HMDB37590	Ichangic acid 17-beta-D-glucopyranoside	CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(OC3OC(CO)C(O)C(O)C3O)C3=COC=C3)C22OC2C(O)=O)C11COC(=O)CC1O	InChI=1S/C32H44O15/c1-28(2,42)17-9-18(34)30(4)16(31(17)13-44-20(36)10-19(31)35)5-7-29(3,32(30)25(47-32)26(40)41)24(14-6-8-43-12-14)46-27-23(39)22(38)21(37)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,37-39,42H,5,7,9-11,13H2,1-4H3,(H,40,41)
HMDB37591	Oryzalide A	CC12OC1C13CC2CCC1C1(C)C(O)OC(=O)C(C)(C)C1CC3	InChI=1S/C19H28O4/c1-16(2)11-7-8-19-9-10(18(4)13(19)23-18)5-6-12(19)17(11,3)15(21)22-14(16)20/h10-13,15,21H,5-9H2,1-4H3
HMDB37592	Oryzalide B	CC1(C)C2CCC34CC(CCC3C2(C)C(O)OC1=O)C(=C)C4O	InChI=1S/C19H28O4/c1-10-11-5-6-13-18(4)12(7-8-19(13,9-11)14(10)20)17(2,3)15(21)23-16(18)22/h11-14,16,20,22H,1,5-9H2,2-4H3
HMDB37593	Oryzalic acid A	CC(C)(C1CCC23CC(CCC2C1(C)CC(O)=O)C1(C)OC31)C(O)=O	InChI=1S/C20H30O5/c1-17(2,16(23)24)12-7-8-20-9-11(19(4)15(20)25-19)5-6-13(20)18(12,3)10-14(21)22/h11-13,15H,5-10H2,1-4H3,(H,21,22)(H,23,24)
HMDB37594	Eduleine	COC1=CC2=C(C=C1)C(=O)C=C(N2C)C1=CC=CC=C1	InChI=1S/C17H15NO2/c1-18-15(12-6-4-3-5-7-12)11-17(19)14-9-8-13(20-2)10-16(14)18/h3-11H,1-2H3
HMDB37595	3',4',5,6,7-Pentahydroxyflavone; 6-O-b-D-Xylopyranoside	OC1COC(OC2=C(O)C3=C(OC(=CC3=O)C3=CC(O)=C(O)C=C3)C=C2O)C(O)C1O	InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)13-4-10(23)15-14(30-13)5-11(24)19(17(15)27)31-20-18(28)16(26)12(25)6-29-20/h1-5,12,16,18,20-22,24-28H,6H2
HMDB37596	3',4',5,7,8-Pentahydroxyflavone; 8-O-b-D-Glucopyranoside, 3'-O-sulfate	OCC1OC(OC2=C(O)C=C(O)C3=C2OC(=CC3=O)C2=CC=C(O)C(OS(O)(=O)=O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O15S/c22-6-14-16(27)17(28)18(29)21(34-14)35-19-11(26)4-9(24)15-10(25)5-12(33-20(15)19)7-1-2-8(23)13(3-7)36-37(30,31)32/h1-5,14,16-18,21-24,26-29H,6H2,(H,30,31,32)
HMDB37597	3',4',5,7,8-Pentahydroxyflavone; 8-O-Sulfate	OC1=CC=C(C=C1O)C1=CC(=O)C2=C(O1)C(OS(O)(=O)=O)=C(O)C=C2O	InChI=1S/C15H10O10S/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(15(13)24-12)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)
HMDB37598	5-Hydroxy-3',4',7,8-tetramethoxyflavone	COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2O	InChI=1S/C19H18O7/c1-22-13-6-5-10(7-15(13)23-2)14-8-11(20)17-12(21)9-16(24-3)18(25-4)19(17)26-14/h5-9,21H,1-4H3
HMDB37599	Isosinensetin	COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2OC	InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3
HMDB45528	TG(20:0/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB37046	Sylveterpinolene	CC(C)=C1CCCC(C)=C1	InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h7H,4-6H2,1-3H3
HMDB37047	m-Menth-8-en-1-ol; (1R,3R)-form	CC(=C)C1CCCC(C)(O)C1	InChI=1S/C10H18O/c1-8(2)9-5-4-6-10(3,11)7-9/h9,11H,1,4-7H2,2-3H3
HMDB37044	Rotundifolone	CC(C)=C1CCC2(C)OC2C1=O	InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3
HMDB37045	19'-Hexanoyloxymytiloxanthin	CCCCCC(=O)OC\C(=C\C=C/C(/C)=C\C=C\C=C(/C)\C=C/C=C(\C)C(=O)CC1(O)C(C)CC(=O)CC1(C)C)C#CC1=C(C)CC(O)CC1(C)C	InChI=1S/C46H64O6/c1-11-12-13-24-43(50)52-32-38(25-26-41-36(5)27-39(47)29-44(41,7)8)23-17-21-34(3)19-15-14-18-33(2)20-16-22-35(4)42(49)31-46(51)37(6)28-40(48)30-45(46,9)10/h14-23,37,39,47,51H,11-13,24,27-32H2,1-10H3/b15-14+,20-16-,21-17-,33-18+,34-19-,35-22+,38-23+
HMDB37042	Melleolide D	COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(CO)C23O)C(O)=C1	InChI=1S/C24H31ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,15,18-19,26-28,30-31H,8-10H2,1-5H3
HMDB37043	Melledonal B	CC1=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=CC(O)=C1Cl	InChI=1S/C23H27ClO8/c1-10-15(12(26)5-13(27)16(10)24)19(29)32-14-7-21(4)17-18(28)20(2,3)9-22(17,30)6-11(8-25)23(14,21)31/h5-6,8,14,17-18,26-28,30-31H,7,9H2,1-4H3
HMDB37040	Armillaric acid	CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C(O)=O)C23O)C(O)=CC(O)=C1	InChI=1S/C23H28O7/c1-11-5-13(24)7-16(25)18(11)20(28)30-17-10-22(4)15-9-21(2,3)8-12(15)6-14(19(26)27)23(17,22)29/h5-7,12,15,17,24-25,29H,8-10H2,1-4H3,(H,26,27)
HMDB37041	Melleolide C	COC1=CC(C)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(CO)C23O)C(O)=C1	InChI=1S/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3
HMDB37048	m-Menth-1-en-8-ol	CC1=CC(CCC1)C(C)(C)O	InChI=1S/C10H18O/c1-8-5-4-6-9(7-8)10(2,3)11/h7,9,11H,4-6H2,1-3H3
HMDB37049	(R)-m-Menth-1(6)-en-8-ol	CC1=CCCC(C1)C(C)(C)O	InChI=1S/C10H18O/c1-8-5-4-6-9(7-8)10(2,3)11/h5,9,11H,4,6-7H2,1-3H3
HMDB08459	PC(20:4(8Z,11Z,14Z,17Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,40H,6-7,9,11-13,15,17-18,21,24-39H2,1-5H3/b10-8-,16-14-,20-19-,23-22-/t40-/m1/s1
HMDB08458	PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,38,41,45H,6-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-,41-38-
HMDB08457	PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,31,33,38,41,45H,6-13,15,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,33-31-,41-38-
HMDB08456	PC(20:4(5Z,8Z,11Z,14Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,38,41,45H,6-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,33-31-,41-38-
HMDB08455	PC(20:4(5Z,8Z,11Z,14Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,39-36-
HMDB08454	PC(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,30,32,36,38,50H,6-14,16,18-19,24-29,31,33-35,37,39-49H2,1-5H3/b17-15-,22-20-,23-21-,32-30-,38-36-/t50-/m1/s1
HMDB08453	PC(20:4(5Z,8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,30,32,36,38,50H,6-14,16,18-20,22,24-29,31,33-35,37,39-49H2,1-5H3/b17-15-,23-21-,32-30-,38-36-
HMDB08452	PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
HMDB08451	PC(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33-34,36,48H,6-7,9,11-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1
HMDB08450	PC(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
HMDB52829	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-37,41-42,44-45,50-51,53-54,63H,4-6,9,12-15,18,22-23,27,31-32,38-40,43,46-49,52,55-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,53-50-,54-51-
HMDB52828	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,33-37,41-42,44-45,51,54,63H,4-6,9,12-15,18,22-23,27,31-32,38-40,43,46-50,52-53,55-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,54-51-
HMDB52825	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,38-39,41-42,47,50,59H,4-6,8,11,13-15,17,22,24,26,30,35-37,40,43-46,48-49,51-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,42-39-,50-47-
HMDB52824	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,38,41,47,50,59H,4-6,8,11,13-15,17,22,24,26,30,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,50-47-
HMDB52827	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-36,39-40,43,45,48-49,52,61H,4-6,9,12-15,18,22-23,27,31,33,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-,52-49-
HMDB52826	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-30,32,34-36,39-40,43,49,52,61H,4-6,9,12-15,18,22-23,27,31,33,37-38,41-42,44-48,50-51,53-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,52-49-
HMDB52821	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,34,36-37,42,45,51,54,63H,4-7,9-10,12-15,18,22-23,27,31-33,35,38-41,43-44,46-50,52-53,55-62H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-34-,37-30-,45-42-,54-51-
HMDB52820	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,32,34-36,39-40,43,45,48-49,52,61H,4-6,8-9,11-15,18,22-23,27,31,33,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-,52-49-
HMDB52823	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,33-37,41-42,44-45,50-51,53-54,63H,4-7,9-10,12-15,18,22-23,27,31-32,38-40,43,46-49,52,55-62H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,53-50-,54-51-
HMDB52822	TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,33-37,41-42,44-45,51,54,63H,4-7,9-10,12-15,18,22-23,27,31-32,38-40,43,46-50,52-53,55-62H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,54-51-
HMDB58460	CL(18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB50698	TG(20:1(11Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,61H,4-15,17-18,20-24,27,30-60H2,1-3H3/b19-16-,28-25-,29-26-
HMDB50699	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35,41,44,62H,4-15,17-18,20-24,31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,44-41-
HMDB36319	Skyrin; (R)-form, 2-O-a-Arabinopyranoside	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(=C(OC1OCC(O)C(O)C1O)C=C3O)C1=C2C(=O)C3=C(C(O)=CC(C)=C3)C(=O)C2=C(O)C=C1O	InChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3
HMDB36318	9,13-Dihydroxy-4-megastigmen-3-one; 9-O-b-D-Glucopyranoside	CC(CCC1C(CO)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H32O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3
HMDB36311	Centellasapogenol A	CC1(C)CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)=C2C1)C(O)=O	InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h20-23,31-33H,7-17H2,1-6H3,(H,34,35)
HMDB36310	Ganoderic acid theta	CC(CC(O)\C=C(/C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h11,14,16-17,19-20,25,31,33,36H,8-10,12-13H2,1-7H3,(H,37,38)/b15-11+
HMDB36313	Erinacine P	CC(C)C1=C2C3CC(OC(C)=O)C(C=O)=CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1	InChI=1S/C27H40O8/c1-14(2)17-6-7-26(4)8-9-27(5)18(22(17)26)11-20(34-15(3)29)16(12-28)10-21(27)35-25-24(32)23(31)19(30)13-33-25/h10,12,14,18-21,23-25,30-32H,6-9,11,13H2,1-5H3
HMDB36312	(3beta,22E,24R)-23-Methylergosta-5,7,22-trien-3-ol	CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C	InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+
HMDB36315	Dimethyl ent-16alpha-kaurane-17,19-dioate	COC(=O)C1CC23CC1CCC2C1(C)CCCC(C)(C1CC3)C(=O)OC	InChI=1S/C22H34O4/c1-20-9-5-10-21(2,19(24)26-4)16(20)8-11-22-12-14(6-7-17(20)22)15(13-22)18(23)25-3/h14-17H,5-13H2,1-4H3
HMDB36314	Dehydrochorismic acid	OC(=O)C(=C)OC1=C(O)C=CC(=C1)C(O)=O	InChI=1S/C10H8O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,11H,1H2,(H,12,13)(H,14,15)
HMDB36317	Canavalioside	CC12CCCC(C)(C1C(O)C(O)C13CC(O)(COC4OC(CO)C(O)C(O)C4O)C(O)(C1)CCC23)C(O)=O	InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34)
HMDB36316	Assamsaponin E	C\C=C(\C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2CC1(C)C	InChI=1S/C59H92O26/c1-11-24(2)49(75)85-47-46(72)59(23-78-25(3)61)27(18-54(47,4)5)26-12-13-32-56(8)16-15-34(55(6,7)31(56)14-17-57(32,9)58(26,10)19-33(59)64)80-53-45(84-51-40(70)38(68)37(67)30(20-60)79-51)42(41(71)43(82-53)48(73)74)81-52-44(36(66)29(63)22-77-52)83-50-39(69)35(65)28(62)21-76-50/h11-12,27-47,50-53,60,62-72H,13-23H2,1-10H3,(H,73,74)/b24-11-
HMDB50038	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-28,30-33,36,39-40,43,58H,4-6,8-9,11-15,17,20,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-
HMDB50039	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-28,30-33,36,39-40,43,45,48,58H,4-6,8-9,11-15,17,20,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-
HMDB50692	TG(20:1(11Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-
HMDB50693	TG(20:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,43-40-
HMDB58418	CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,28,32-35,37,39-42,48,52,60,64,79-81,86H,5-20,22-24,26-27,29-31,36,38,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,32-28-,37-33-,40-39-,41-34-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58419	CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-35,37,39-42,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,36,38,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,42-35-,52-48-/t79?,80-,81-/m1/s1
HMDB52339	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,42,45,51,54,66H,4-8,10-11,13-16,19,22-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,45-42-,54-51-
HMDB58412	CL(18:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB50030	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,30-32,34,38,40-41,43,56H,4-15,17,20,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB58410	CL(18:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB58411	CL(18:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58416	CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,34-35,37-39,41,76-78,83H,5-24,26-27,30-31,33,36,40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,38-34-,39-35-,41-37-/t76?,77-,78-/m1/s1
HMDB58417	CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-35,37,39-40,42,46,54,58,77-79,84H,5-20,22-24,26-27,29-31,36,38,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,39-34-,40-35-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB58414	CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h27-28,31-34,37-38,75-77,82H,5-26,29-30,35-36,39-74H2,1-4H3,(H,87,88)(H,89,90)/b31-27-,32-28-,37-33-,38-34-/t76-,77-/m1/s1
HMDB50031	TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,32-33,40,43,58H,4-15,17,20,22-24,29-31,34-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,32-26-,33-27-,43-40-
HMDB34811	Ribosylzeatin phosphate	C\C(CO)=C/CNC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(O)C1O	InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/b8-2+
HMDB34812	3',4',5,7-Tetrahydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 3',4'-di-Me ether, 7-O-b-D-glucopyranoside	COC1=C(OC)C=C(C=C1)C1=COC2=C(C(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2CCC(C)(C)O)C1=O	InChI=1S/C28H34O12/c1-28(2,35)8-7-14-18(39-27-25(34)24(33)23(32)20(11-29)40-27)10-16(30)21-22(31)15(12-38-26(14)21)13-5-6-17(36-3)19(9-13)37-4/h5-6,9-10,12,20,23-25,27,29-30,32-35H,7-8,11H2,1-4H3
HMDB34813	Lupiwighteone hydrate 7-glucoside	CC(C)(O)CCC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(O)C=C1	InChI=1S/C26H30O11/c1-26(2,34)8-7-14-17(36-25-23(33)22(32)21(31)18(10-27)37-25)9-16(29)19-20(30)15(11-35-24(14)19)12-3-5-13(28)6-4-12/h3-6,9,11,18,21-23,25,27-29,31-34H,7-8,10H2,1-2H3
HMDB34814	24-Propylcholestan-3-ol	CCCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C30H54O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h20-28,31H,7-19H2,1-6H3
HMDB34816	Betavulgaroside VIII	CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(=C)CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C1O)C(O)=O	InChI=1S/C46H68O20/c1-20-9-14-46(41(60)66-39-30(52)29(51)28(50)23(18-47)62-39)16-15-44(5)21(22(46)17-20)7-8-25-43(4)12-11-26(42(2,3)24(43)10-13-45(25,44)6)63-40-32(54)34(31(53)35(65-40)37(58)59)64-38(33(55)36(56)57)61-19-27(48)49/h7,22-26,28-35,38-40,47,50-55H,1,8-19H2,2-6H3,(H,48,49)(H,56,57)(H,58,59)
HMDB34817	Betavulgaroside X	CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(=C)CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C(O)C(OC2OCC(O)C(O)C2O)C1O)C(O)=O	InChI=1S/C46H70O18/c1-20-9-14-46(41(58)64-39-32(53)30(51)29(50)24(18-47)60-39)16-15-44(5)21(22(46)17-20)7-8-26-43(4)12-11-27(42(2,3)25(43)10-13-45(26,44)6)61-40-34(55)35(33(54)36(63-40)37(56)57)62-38-31(52)28(49)23(48)19-59-38/h7,22-36,38-40,47-55H,1,8-19H2,2-6H3,(H,56,57)
HMDB34818	12-Oleanene-3,22,24,29-tetrol; (3b,22a)-form, 3-O-[b-D-Arabinopyranosyl-(1-&gt;3)-b-D-arabinopyranoside]	CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C40H66O12/c1-35(19-41)15-22-21-7-8-26-37(3)11-10-28(51-34-31(48)32(24(44)18-50-34)52-33-30(47)29(46)23(43)17-49-33)38(4,20-42)25(37)9-12-40(26,6)39(21,5)14-13-36(22,2)27(45)16-35/h7,22-34,41-48H,8-20H2,1-6H3
HMDB34819	27-Hydroxybullatacin	CCCCCCCC(O)CCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-4-5-10-13-16-29(38)19-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)18-15-12-9-7-6-8-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
HMDB52338	TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,40-41,43,47,49-50,52,64H,4-8,10-11,13-16,19,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB45404	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,30-32,37,40,58H,4-6,8-9,11-15,17-18,20-24,27,29,33-36,38-39,41-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,40-37-
HMDB12177	5-Methyltetrahydropteroyltri-L-glutamate	CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2	InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1
HMDB12176	5-Aminopentanamide	NCCCCC(N)=O	InChI=1S/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8)
HMDB12175	5-Acetamidovalerate	CC(=O)NCCCCC(O)=O	InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
HMDB12174	4Alpha-methyl-5alpha-cholesta-8-en-3-one	CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3	InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24H,7-17H2,1-6H3/t19?,20-,22?,23?,24?,27+,28-/m0/s1
HMDB12173	4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol	CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)C1CC3	InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h18-19,21-24,26,29-30H,6-17H2,1-5H3/t19?,21-,22?,23?,24?,26-,27+,28-/m0/s1
HMDB12172	4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol	CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)C1CC3	InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19?,21-,22?,23?,24?,26-,27+,28-/m0/s1
HMDB12171	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC3	InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h19-20,22-23,25-26,30-31H,7-18H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1
HMDB12170	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC3	InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,20,22-23,25-26,30-31H,7,9-18H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1
HMDB29571	1,2-Dichloroethane	ClCCCl	InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
HMDB29570	Dichlorodifluoromethane	FC(F)(Cl)Cl	InChI=1S/CCl2F2/c2-1(3,4)5
HMDB29573	Diethyl malonate	CCOC(=O)CC(=O)OCC	InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
HMDB29572	Diethyl disulfide	CCSSCC	InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
HMDB29575	(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one	COC1=CC(=O)OC(CCC2=CC=CC=C2)C1O	InChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3
HMDB29574	2,5-Diethyltetrahydrofuran	CCC1CCC(CC)O1	InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3
HMDB12179	6-Hydroxycyclohex-1-ene-1-carboxyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1O	InChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,16-17,20-22,26,36,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,20-,21-,22?,26-/m1/s1
HMDB12178	5Alpha-cholesta-8-en-3-one	CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)CC1CC3	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,23-24H,6-17H2,1-5H3/t19?,20?,23?,24?,26-,27+/m0/s1
HMDB53057	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-33,35,37,40,57H,4-15,17,22,24,26,30,34,36,38-39,41-56H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-
HMDB53056	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,18,20-23,25,27,29-30,32,36,39,56H,4-12,14-15,17,19,24,26,28,31,33-35,37-38,40-55H2,1-3H3/b16-13-,21-18-,23-20-,25-22-,30-27-,32-29-,39-36-
HMDB53055	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17-22,26-31,35-36,38-39,55H,4-16,23-25,32-34,37,40-54H2,1-3H3/b20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-,39-36-
HMDB53054	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,41,44,61H,4-17,19-20,22-24,26,29-34,36-40,42-43,45-60H2,1-3H3/b21-18-,28-25-,35-27-,44-41-
HMDB53053	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,42,44-45,47,51,54,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-
HMDB53052	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-7,9-10,12-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-
HMDB53051	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,40,42,45-46,49,62H,4-7,9-10,12-16,19,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB53050	TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,36-37,40,42,45,62H,4-7,9-10,12-16,19,22-24,30-35,38-39,41,43-44,46-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-
HMDB53059	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,33-34,39,42,59H,4-15,17,22,24,26,30-32,35-38,40-41,43-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,33-27-,34-29-,42-39-
HMDB53058	TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-33,35,37,40-41,44,57H,4-15,17,22,24,26,30,34,36,38-39,42-43,45-56H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-,44-41-
HMDB54727	TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-35,39-40,42-43,62H,4-6,8-9,11-15,18,22-23,27,30-31,36-38,41,44-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-
HMDB12289	Tetrahydrodipicolinate	OC(=O)C1CCCC(=N1)C(O)=O	InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)
HMDB12288	Tellurite	O=[Te]=O	InChI=1S/O2Te/c1-3-2
HMDB12285	Ribose-1-arsenate	OCC1OC(O[As](O)(O)=O)C(O)C1O	InChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12)
HMDB12286	S-Prenyl-L-cysteine	CC(C)=CCSCC(N)C(O)=O	InChI=1S/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)
HMDB12281	Portulacaxanthin II	OC(=O)C(CC1=CC=C(O)C=C1)\N=C\C=C1/CC(NC(=C1)C(O)=O)C(O)=O	InChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,20-21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b11-5-,19-6+
HMDB12280	Phytosphingosine-1-P	CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@H](N)COP(O)(O)=O	InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17-,18-/m1/s1
HMDB12283	Prephenate	OC1C=CC(CC(=O)C(O)=O)(C=C1)C(O)=O	InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)
HMDB12282	PPPi	OP(O)(=O)OP(O)(=O)OP(O)(O)=O	InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
HMDB00901	Valproic acid glucuronide	CCCC(C(C)C)C(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C14H24O8/c1-4-5-7(6(2)3)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h6-11,14-17H,4-5H2,1-3H3,(H,18,19)/t7?,8-,9-,10+,11-,14?/m0/s1
HMDB00900	Ergocalciferol	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
HMDB00903	Tetrahydrocortisone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14-,15-,18+,19-,20-,21-/m0/s1
HMDB00902	NAD	NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
HMDB00905	Deoxyadenosine monophosphate	NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
HMDB00904	Citrulline	N[C@@H](CCCNC(N)=O)C(O)=O	InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
HMDB00907	Sulfolithocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](CC[C@]12C)OS(O)(=O)=O	InChI=1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,16?,17-,18+,19-,20+,21+,23+,24-/m1/s1
HMDB00906	Trimethylamine	CN(C)C	InChI=1S/C3H9N/c1-4(2)3/h1-3H3
HMDB00909	trans-4-Hydroxycyclohexylacetic acid	O[C@H]1CC[C@H](CC(O)=O)CC1	InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7-
HMDB00908	5alpha-Cholestanol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB11486	LysoPE(0:0/20:3(8Z,11Z,14Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h6-7,9-10,12-13,24,27H,2-5,8,11,14-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-/t24-/m1/s1
HMDB11487	LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h6-7,9-10,12-13,15-16,24,27H,2-5,8,11,14,17-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1
HMDB11484	LysoPE(0:0/20:3(11Z,14Z,17Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,24,27H,2,5,8,11-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-/t24-/m1/s1
HMDB11485	LysoPE(0:0/20:3(5Z,8Z,11Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h9-10,12-13,15-16,24,27H,2-8,11,14,17-23,26H2,1H3,(H,29,30)/b10-9-,13-12-,16-15-/t24-/m1/s1
HMDB11482	LysoPE(0:0/20:1(11Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C25H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h9-10,24,27H,2-8,11-23,26H2,1H3,(H,29,30)/b10-9-/t24-/m1/s1
HMDB11483	LysoPE(0:0/20:2(11Z,14Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C25H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h6-7,9-10,24,27H,2-5,8,11-23,26H2,1H3,(H,29,30)/b7-6-,10-9-/t24-/m1/s1
HMDB11480	LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C23H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,12-13,22,25H,2,5,8,11,14-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-,13-12-/t22-/m1/s1
HMDB11481	LysoPE(0:0/20:0)	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C25H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h24,27H,2-23,26H2,1H3,(H,29,30)/t24-/m1/s1
HMDB53006	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-31,37,40,56H,4-7,9-10,12-16,19,22-24,29,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,40-37-
HMDB11488	LysoPE(0:0/20:4(8Z,11Z,14Z,17Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,12-13,24,27H,2,5,8,11,14-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-/t24-/m1/s1
HMDB11489	LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C25H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-/t24-/m1/s1
HMDB53007	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-31,36-37,39-40,56H,4-7,9-10,12-16,19,22-24,29,32-35,38,41-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,40-37-
HMDB53000	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,31,37,40,57H,4-13,15-16,19-20,22,24,29-30,32-36,38-39,41-56H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,31-27-,40-37-
HMDB54329	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB53001	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,36,38,41,58H,4-15,17,20,22-24,30-31,34-35,37,39-40,42-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-
HMDB53002	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,36,38,41-42,45,58H,4-15,17,20,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-
HMDB43635	TG(15:0/18:3(9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28,51H,4-7,9-10,12-16,18,21,23-25,27,29-50H2,1-3H3/b11-8-,20-17-,22-19-,28-26-
HMDB53003	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34,40,43,60H,4-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,43-40-
HMDB11738	Gamma-Glutamylglutamine	N[C@@H](CCC(=O)N[C@@H](CCC(N)=O)C(O)=O)C(O)=O	InChI=1S/C10H17N3O6/c11-5(9(16)17)1-4-8(15)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1
HMDB11739	Galactinol dihydrate	O.O.OC[C@H]1O[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C12H22O11.2H2O/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20;;/h2-21H,1H2;2*1H2/t2-,3+,4+,5?,6-,7+,8-,9-,10-,11?,12-;;/m1../s1
HMDB11734	D-Arabinose 5-phosphate	O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C=O	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1
HMDB11737	Gamma Glutamylglutamic acid	N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O	InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1
HMDB11730	Melezitose	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1
HMDB11731	5-Keto-D-gluconate	OCC(=O)C(O)C(O)C(O)C(O)=O	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)
HMDB11732	2-Keto-L-gluconate	OCC(O)C(O)C(O)C(=O)C(O)=O	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)
HMDB11733	Glycyl-glycine	NCC(=O)NCC(O)=O	InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
HMDB52018	TG(24:1(15Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,42,45,51,54,68H,4-17,19-20,22-24,26,29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b21-18-,28-25-,30-27-,45-42-,54-51-
HMDB52019	TG(24:1(15Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,70H,4-17,19-20,22-24,26,29,31-69H2,1-3H3/b21-18-,28-25-,30-27-
HMDB55048	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,36,38-39,42,48,51,61H,4-7,9-10,12-14,21-23,30-31,33,35,37,40-41,43-47,49-50,52-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,51-48-
HMDB55049	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,36,38-39,42,44,47-48,51,61H,4-7,9-10,12-14,21-23,30-31,33,35,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-,51-48-
HMDB52014	TG(24:1(15Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C70H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,41,67H,4-20,22-23,26-27,29,31-40,42-66H2,1-3H3/b24-21-,28-25-,41-30-
HMDB52015	TG(24:1(15Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,40,46,49,66H,4-17,19-20,22-24,26,29-39,41-45,47-48,50-65H2,1-3H3/b21-18-,28-25-,40-27-,49-46-
HMDB52016	TG(24:1(15Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C70H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,67H,4-14,16-17,19-23,26,29-66H2,1-3H3/b18-15-,27-24-,28-25-
HMDB52017	TG(24:1(15Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,42,45,68H,4-17,19-20,22-24,26,29,31-41,43-44,46-67H2,1-3H3/b21-18-,28-25-,30-27-,45-42-
HMDB52010	TG(24:1(15Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB52011	TG(24:1(15Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-,57-54-
HMDB52012	TG(24:1(15Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,65H,4-24,26-27,29-64H2,1-3H3/b28-25-
HMDB52013	TG(24:1(15Z)/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C75H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,72H,4-24,27,30-71H2,1-3H3/b28-25-,29-26-
HMDB57754	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-20,24,29-31,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57755	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-38,42-47,52-54,56-58,64-65,68-69,85-87,92H,5-10,12-14,16-20,24,29-31,39-41,48-51,55,59-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-/t85?,86-,87-/m1/s1
HMDB57756	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-10,12-14,16-20,24,29-31,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57757	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,28-30,32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB43633	TG(15:0/18:3(9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,47H,4-6,8-9,11-14,17,20-23,26-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-
HMDB57751	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27,29-31,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57752	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-20,23-24,29-30,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB57753	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,62-64,66,68,83-85,90H,5-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-61,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57758	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57759	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,29-30,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB10469	TG(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,35,37,56H,4-6,8-9,11-15,18,21-24,28,32-34,36,38-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-/t56-/m1/s1
HMDB10468	TG(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-33,36,39,58H,4-6,8-9,11-15,17-18,20-24,29,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB10467	TG(18:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-33,36,39,58H,4-15,17-18,20-24,29,34-35,37-38,40-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1
HMDB10466	TG(18:1(9Z)/18:1(9Z)/22:1(13Z))[iso3]	[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h25-28,32-33,58H,4-24,29-31,34-57H2,1-3H3/b28-25-,32-26-,33-27-/t58-/m1/s1
HMDB10465	TG(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-33,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m1/s1
HMDB10464	TG(18:1(9Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-32,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB10463	TG(18:1(9Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-32,34,56H,4-15,17-18,20-24,29,33,35-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-/t56-/m1/s1
HMDB10462	TG(18:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25-28,30-32,34,40,43,56H,4-24,29,33,35-39,41-42,44-55H2,1-3H3/b28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB10461	TG(18:1(9Z)/18:1(9Z)/20:2(11Z,14Z))[iso3]	[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-31,56H,4-15,17-18,20-24,29,32-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-/t56-/m1/s1
HMDB10460	TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,54H,4-6,8-9,11-15,17-18,20-24,31-53H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-/t54-/m0/s1
HMDB54311	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-47,50,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB54310	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB54313	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-39,42,44,47,60H,4-6,8,11,13-15,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB54312	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB54315	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-37,39-41,44,46,49,62H,4-6,9,12-15,22-24,31,33-34,38,42-43,45,47-48,50-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-
HMDB54314	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-40,42-44,47,60H,4-6,8,11,13-15,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB54317	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-47,50,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB54316	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-37,39-41,44-46,48-49,62H,4-6,9,12-15,22-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB54319	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB54318	TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB04370	N-Methyltryptamine	CNCCC1=CNC2=CC=CC=C12	InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
HMDB05421	TG(16:1(9Z)/18:0/18:0)[iso3]	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,52H,4-20,22-23,25-51H2,1-3H3/b24-21-/t52-/m1/s1
HMDB02432	Sumiki's acid	OCC1=CC=C(O1)C(O)=O	InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
HMDB02431	12b-Hydroxy-5b-cholanoic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,20+,21-,23+,24-/m1/s1
HMDB02430	(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(O)=O	InChI=1S/C30H48O10/c1-14(4-7-21(32)33)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(12-15(29)13-20(22)31)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-20,22-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28?,29+,30-/m1/s1
HMDB05425	TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,52H,4-15,17-18,20,22-23,26,28-51H2,1-3H3/b19-16-,24-21-,27-25-/t52-/m1/s1
HMDB05424	TG(16:1(9Z)/18:0/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,54H,4-20,22-23,26,28-53H2,1-3H3/b24-21-,27-25-/t54-/m1/s1
HMDB05427	TG(16:1(9Z)/20:0/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m1/s1
HMDB02434	Hydroquinone	OC1=CC=C(O)C=C1	InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
HMDB05429	TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,40,43,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-,43-40-/t56-/m1/s1
HMDB05428	TG(16:1(9Z)/20:0/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-/t56-/m1/s1
HMDB41713	cis-Resveratrol 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(\C([H])=C(\[H])C3=C([H])C(O[H])=C([H])C(O[H])=C3[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1
HMDB41712	cis-Resveratrol 3-sulfate	[H]OC1=C([H])C([H])=C(\C([H])=C(\[H])C2=C([H])C(OS(=O)(=O)O[H])=C([H])C(O[H])=C2[H])C([H])=C1[H]	InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-
HMDB41711	cis-Resveratrol 3-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(\C([H])=C(\[H])C3=C([H])C([H])=C(O[H])C([H])=C3[H])=C([H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1
HMDB41710	cis-4-Hydroxyequol	[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])C([H])([H])OC2=C([H])C(O[H])=C([H])C([H])=C2[C@@]1([H])O[H]	InChI=1S/C15H14O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,15-18H,8H2/t13-,15-/m1/s1
HMDB41717	Daidzein 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])OC3=C([H])C(O[H])=C([H])C([H])=C3C2=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H18O10/c22-10-3-6-12-14(7-10)29-8-13(15(12)23)9-1-4-11(5-2-9)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
HMDB41716	Cyanidin 3-diglucoside 5-glucoside	[H]OC1=C([H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)48-9-20-23(41)26(44)29(47)33(54-20)51-17-6-12-15(49-30(17)10-1-2-13(37)14(38)3-10)4-11(36)5-16(12)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-35,39-47H,7-9H2,(H2-,36,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1
HMDB41715	Cyanidin 3-[2-(6-(E)-caffeoyl-glucoside)-glucoside] 5-glucoside	[H]OC1=C([H])C2=C(C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])OC(=O)C(\[H])=C(/[H])C4=C([H])C(O[H])=C(O[H])C([H])=C4[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=[O+]2)C2=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C1[H]	InChI=1S/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(67-42-38(58)35(55)32(52)28(14-45)65-42)36(56)33(53)29(66-43)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1
HMDB41714	cis-Resveratrol 4'-sulfate	[H]OC1=C([H])C(\C([H])=C(\[H])C2=C([H])C([H])=C(OS(=O)(=O)O[H])C([H])=C2[H])=C([H])C(O[H])=C1[H]	InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-
HMDB41719	Daidzin 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])OC3=C([H])C(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])=C([H])C([H])=C3C2=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C27H28O15/c28-8-16-18(30)19(31)22(34)26(41-16)40-12-5-6-13-15(7-12)38-9-14(17(13)29)10-1-3-11(4-2-10)39-27-23(35)20(32)21(33)24(42-27)25(36)37/h1-7,9,16,18-24,26-28,30-35H,8H2,(H,36,37)/t16-,18-,19+,20+,21+,22-,23-,24+,26-,27-/m1/s1
HMDB41718	Daidzein 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C3C(=O)C(=C([H])OC3=C2[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C21H18O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
HMDB53839	TG(20:3n6/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,35,37,40,57H,4-8,10-11,13-15,17,22,24,26,30,34,36,38-39,41-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-
HMDB53838	TG(20:3n6/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,35,57H,4-8,10-11,13-15,17,22,24,26,30,34,36-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-
HMDB56809	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-20,23-24,27,29-31,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56808	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB07481	DG(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,39,42H,3-10,15-16,20,24-25,27,29-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1
HMDB07480	DG(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,39,42H,3-10,15-16,20,24-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,23-22-/t39-/m0/s1
HMDB07483	DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,39,42H,3-5,7,9-10,15-16,20,24-25,27,29-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1
HMDB07482	DG(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,39,42H,3-5,7,9-10,15-16,20,24-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t39-/m0/s1
HMDB07485	DG(20:3(8Z,11Z,14Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,41,44H,3-10,12,14-16,21-22,24,26-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-/t41-/m0/s1
HMDB07484	DG(20:3(8Z,11Z,14Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,41,44H,3-10,12,14-16,18,20-22,24,26-40H2,1-2H3/b13-11-,19-17-,25-23-/t41-/m0/s1
HMDB07487	DG(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,30,32,41,44H,3-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1
HMDB07486	DG(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,41,44H,3-10,15-16,21-22,24,26-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-/t41-/m0/s1
HMDB07489	DG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,30,32,41,44H,3-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1
HMDB07488	DG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,41,44H,3-10,15-16,21-22,27-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1
HMDB49528	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-
HMDB49529	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31,33,35,38-39,42,60H,4-7,9-10,12-15,18,22-23,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-
HMDB59491	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,69,71-73,75-76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-68,70,74,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB59490	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,45-52,57-64,69,72-73,76,91-93,98H,5-8,12,16-20,29-32,41-44,53-56,65-68,70-71,74-75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,76-72-/t91?,92-,93-/m1/s1
HMDB59493	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,71,75,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-70,72-74,76-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,75-71-/t91?,92-,93-/m1/s1
HMDB59492	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-/t92-,93-/m1/s1
HMDB59495	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65,69,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-52,55,59,61-64,66-68,70-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-/t87?,88-,89-/m1/s1
HMDB59494	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-56,58,63,67,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,57,59-62,64-66,68-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-/t85?,86-,87-/m1/s1
HMDB59497	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65,69,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-52,55,59,61-64,66-68,70-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-/t87?,88-,89-/m1/s1
HMDB50568	TG(20:1(11Z)/24:1(15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-
HMDB50569	TG(20:1(11Z)/24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-
HMDB50566	TG(20:1(11Z)/24:1(15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-
HMDB50567	TG(20:1(11Z)/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-30,38,41,47,50,64H,4-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b28-25-,29-26-,30-27-,41-38-,50-47-
HMDB50564	TG(20:1(11Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,42,45,51,54,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,45-42-,54-51-
HMDB50565	TG(20:1(11Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,61H,4-24,27,30-60H2,1-3H3/b28-25-,29-26-
HMDB50562	TG(20:1(11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB50563	TG(20:1(11Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,33,36,42,45,64H,4-6,8-9,11-15,17-18,20-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,36-33-,45-42-
HMDB50560	TG(20:1(11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,34,40,43,60H,4-8,10-11,13-17,19-20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,34-27-,43-40-
HMDB50561	TG(20:1(11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-30,36,39,62H,4-7,9-10,12-16,18-19,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-
HMDB04590	19-Nor-5-androstenediol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](O)CC3=CC[C@@]21[H]	InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1
HMDB00288	Uridine 5'-monophosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O	InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
HMDB00289	Uric acid	O=C1NC2=C(N1)C(=O)NC(=O)N2	InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
HMDB45276	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,31-32,38,41,47,50,59H,4-13,15,18,20-22,24,27,29-30,33-37,39-40,42-46,48-49,51-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,41-38-,50-47-
HMDB00283	D-Ribose	OC[C@H]1OC(O)[C@H](O)[C@@H]1O	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1
HMDB00280	Phosphoribosyl pyrophosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O	InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
HMDB00286	Uridine diphosphate glucose	OC[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14?/m0/s1
HMDB00285	Uridine triphosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
HMDB06990	CDP-DG(18:1(11Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h12-15,18,20,35-36,40-41,45-47,54-55H,3-11,16-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,15-13-,20-18-/t40-,41-,45+,46?,47-/m1/s1
HMDB06991	CDP-DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13-14,16-17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,15,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,16-14-,19-17-,24-22-,30-28-/t42-,43-,47+,48?,49-/m1/s1
HMDB06992	CDP-DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11,13-14,16-17,19,22,24,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,15,18,20-21,23,25-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,16-14-,19-17-,24-22-/t42-,43-,47+,48?,49-/m1/s1
HMDB06993	CDP-DG(18:1(11Z)/22:3(10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h11,13-14,16-17,19,21-22,39-40,44-45,49-51,58-59H,3-10,12,15,18,20,23-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b13-11-,16-14-,19-17-,22-21-/t44-,45-,49+,50?,51-/m1/s1
HMDB06994	CDP-DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,39-40,44-45,49-51,58-59H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t44-,45-,49+,50?,51-/m1/s1
HMDB03747	Resveratrol	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
HMDB06996	CDP-DG(18:1(9Z)/18:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17,19,35-36,40-41,45-47,54-55H,3-16,18,20-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17-/t40-,41-,45+,46?,47-/m1/s1
HMDB03745	Mesna	OS(=O)(=O)CCS	InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
HMDB06998	CDP-DG(18:1(9Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h12,14,17-20,35-36,40-41,45-47,54-55H,3-11,13,15-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,19-17-,20-18-/t40-,41-,45+,46?,47-/m1/s1
HMDB06999	CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17-19,21-22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,20,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,19-17-,21-18-,24-22-,30-28-/t42-,43-,47+,48?,49-/m1/s1
HMDB00130	Homogentisic acid	OC(=O)CC1=C(O)C=CC(O)=C1	InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
HMDB00131	Glycerol	OCC(O)CO	InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
HMDB00132	Guanine	NC1=NC(=O)C2=C(N1)N=CN2	InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
HMDB00133	Guanosine	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1	InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
HMDB00134	Fumaric acid	OC(=O)\C=C\C(O)=O	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
HMDB00138	Glycocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C	InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15?,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
HMDB00139	Glyceric acid	OC[C@@H](O)C(O)=O	InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1
HMDB32764	N2-Succinoylarginine	NC(=N)NCCCC(NC(=O)CCC(O)=O)C(O)=O	InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)
HMDB32765	N2-(3-Hydroxysuccinoyl)arginine	NC(=N)NCCCC(NC(=O)CC(O)C(O)=O)C(O)=O	InChI=1S/C10H18N4O6/c11-10(12)13-3-1-2-5(8(17)18)14-7(16)4-6(15)9(19)20/h5-6,15H,1-4H2,(H,14,16)(H,17,18)(H,19,20)(H4,11,12,13)
HMDB32766	N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine	COC(=O)C(O)(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(O)=O	InChI=1S/C12H20N4O8/c1-24-10(22)12(23,5-7(17)18)9(21)16-6(8(19)20)3-2-4-15-11(13)14/h6,23H,2-5H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H4,13,14,15)
HMDB32767	Sphalleroside A	COC1=C(O)C=C(CC=C)C=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3
HMDB01429	Phosphate	[O-]P([O-])([O-])=O	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
HMDB32761	5-Hydroxytryptamine; Nb-(4-Hydroxy-3-methoxy-E-cinnamoyl), O-b-D-glucopyranoside	COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)=CC=C1O	InChI=1S/C26H30N2O9/c1-35-20-10-14(2-6-19(20)30)3-7-22(31)27-9-8-15-12-28-18-5-4-16(11-17(15)18)36-26-25(34)24(33)23(32)21(13-29)37-26/h2-7,10-12,21,23-26,28-30,32-34H,8-9,13H2,1H3,(H,27,31)/b7-3+
HMDB32762	3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-[b-D-Galactopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	OCC1OC(OC2C(O)C(O)C(OC3C(O)C(OC4=C3C(O)=CC(O)=C4)C3=CC(O)=C(O)C(O)=C3)OC2CO)C(O)C(O)C1O	InChI=1S/C27H34O18/c28-5-13-17(35)18(36)20(38)26(42-13)44-24-14(6-29)43-27(21(39)19(24)37)45-25-15-9(31)3-8(30)4-12(15)41-23(22(25)40)7-1-10(32)16(34)11(33)2-7/h1-4,13-14,17-40H,5-6H2
HMDB32763	N2-Oxalylarginine	NC(=N)NCCCC(NC(=O)C(O)=O)C(O)=O	InChI=1S/C8H14N4O5/c9-8(10)11-3-1-2-4(6(14)15)12-5(13)7(16)17/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H4,9,10,11)
HMDB01425	Estrone sulfate	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS(O)(=O)=O)C=C3CC[C@@]21[H]	InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1
HMDB01424	4-(3-Pyridyl)-3-butenoic acid	OC(=O)C\C=C\C1=CN=CC=C1	InChI=1S/C9H9NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h1-4,6-7H,5H2,(H,11,12)/b3-1+
HMDB01427	5'-Hydroxycotinine	CN1C(=O)CC[C@@]1(O)C1=CN=CC=C1	InChI=1S/C10H12N2O2/c1-12-9(13)4-5-10(12,14)8-3-2-6-11-7-8/h2-3,6-7,14H,4-5H2,1H3/t10-/m1/s1
HMDB01426	Formaldehyde	C=O	InChI=1S/CH2O/c1-2/h1H2
HMDB01421	4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol	[H][C@@]1(CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)[C@H](C)CCC=C(C)C	InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25?,26+,28-,29-,30-/m1/s1
HMDB01420	25,26-dihydroxyvitamin D	[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(O)CO)[C@@]1(C)CC\C(C2)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C27H44O3/c1-19-7-11-24(29)17-22(19)9-8-21-13-15-27(4)23(16-21)10-12-25(27)20(2)6-5-14-26(3,30)18-28/h8-9,20,23-25,28-30H,1,5-7,10-18H2,2-4H3/b21-8-,22-9-/t20-,23+,24+,25-,26?,27+/m1/s1
HMDB01423	Coenzyme A	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS	InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1
HMDB01422	3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O	InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1/t7?,8-/m0/s1
HMDB57031	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1
HMDB57030	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H156O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1
HMDB57033	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36-37,39-40,43,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,50-46-/t79?,80-,81-/m1/s1
HMDB57032	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,37,39-40,46,50,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34-36,38,41-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,50-46-/t79?,80-,81-/m1/s1
HMDB57035	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,62,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-/t81?,82-,83-/m1/s1
HMDB57034	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C86H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB57037	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB57036	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB57039	CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57038	CL(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB33827	2-Heptenal	CCCCC=CC=O	InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
HMDB39004	Fistuloside B	CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-27(63-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)29(16-47)60-42)61-41-37(55)35(53)32(50)28(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3
HMDB39005	Hv-NCC-1	COC(=O)C1C(C2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(C(O)CO)=C3C)N2)C2=C(C(C)=C(CC3=C(CCO)C(C)=C(N3)C=O)N2)C1=O	InChI=1S/C35H42N4O10/c1-14-18(8-9-40)23(36-24(14)12-41)11-21-17(4)28-32(38-21)29(30(33(28)46)35(48)49-5)31-19(6-7-26(44)45)15(2)20(37-31)10-22-16(3)27(25(43)13-42)34(47)39-22/h12,22,25,29-30,36-38,40,42-43H,6-11,13H2,1-5H3,(H,39,47)(H,44,45)
HMDB45277	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,38-39,42,48,51,60H,4-15,18,21-24,27,30,32,34,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,51-48-
HMDB32050	alpha-Terpineol formate	CC1=CCC(CC1)C(C)(C)OC=O	InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3
HMDB32051	alpha-Terpineol acetate	CC(=O)OC(C)(C)C1CCC(C)=CC1	InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
HMDB39000	2-Methyldecane	CCCCCCCCC(C)C	InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3
HMDB32057	(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid	OC(=O)\C=C\C1=C(O)C(O)=CC=C1	InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+
HMDB32054	p-Menth-1-en-8-ol; ()-form, Pentanoyl	CCCCC(=O)OC(C)(C)C1CCC(C)=CC1	InChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3
HMDB39003	Fistuloside A	CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C39H62O13/c1-17-8-11-39(47-16-17)18(2)28-26(52-39)13-23-21-7-6-20-12-25(24(41)14-38(20,5)22(21)9-10-37(23,28)4)49-36-34(32(45)30(43)27(15-40)50-36)51-35-33(46)31(44)29(42)19(3)48-35/h6,17-19,21-36,40-46H,7-16H2,1-5H3
HMDB47472	TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,39,42,48,51,63H,4-14,16,19,21-23,25,28,30-38,40-41,43-47,49-50,52-62H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,42-39-,51-48-
HMDB47473	TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,40-41,43,49,52,64H,4-16,19,22-25,28,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB47474	TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,38,40-41,43,47,49-50,52,64H,4-16,19,22-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB47475	TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,42,45,51,54,66H,4-16,19,22-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,45-42-,54-51-
HMDB31527	(S)-2-Methyl-1-butanol	CCC(C)CO	InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
HMDB31526	()-2-Methylbutanal	CCC(C)C=O	InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
HMDB31525	(S)-2-Methylbutanal	CC[C@H](C)C=O	InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1
HMDB31524	Bromomethane	CBr	InChI=1S/CH3Br/c1-2/h1H3
HMDB31523	Methyl acetate	COC(C)=O	InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
HMDB31522	Mesoxalic acid	OC(=O)C(=O)C(O)=O	InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)
HMDB31521	2-Mercaptopropanoic acid, 9CI; (R)-form, Et ester	CCOC(=O)C(C)S	InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3
HMDB31520	2-Mercaptopropanoic acid	CC(S)C(O)=O	InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)
HMDB47477	TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,42-43,45-46,51-52,54-55,66H,4-16,19,22-25,28,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB01311	D-Lactic acid	C[C@@H](O)C(O)=O	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
HMDB31529	3-Methyl-2-butene-1-thiol	CC(C)=CCS	InChI=1S/C5H10S/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
HMDB31528	Isopentyl acetate	CC(C)CCOC(C)=O	InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
HMDB35237	8-Hydroxyhyperforin 8,1-hemiacetal	CC(C)C(=O)C12C(=O)C3(CC=C(C)C)CC(CC=C(C)C)C1(C)CCC(OC2=C(CC=C(C)C)C3=O)C(C)(C)O	InChI=1S/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3
HMDB35236	Squamolinone	CCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H62O7/c1-3-4-5-6-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-8-7-9-11-14-17-28-25-27(24-26(2)36)35(39)40-28/h27-34,37-38H,3-25H2,1-2H3
HMDB35235	2,4,7-Decatrienoic acid	CC\C=C\C\C=C\C=C\C(O)=O	InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-4,6-9H,2,5H2,1H3,(H,11,12)/b4-3+,7-6+,9-8+
HMDB01310	D-Alanine	C[C@@H](N)C(O)=O	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
HMDB35233	Olomoucine	CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1	InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
HMDB35232	Rotundine B	CC(O)CCC1CC2=C(C=CN=C2C)C1(C)C	InChI=1S/C15H23NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,10,12,17H,5-6,9H2,1-4H3
HMDB35231	(Z)-3-Octen-1-ol	CCCC\C=C/CCO	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5-
HMDB35230	Aurantricholide B	OC1=CC=C(C=C1)C1=C2OC3=C(C=C2OC1=O)C=C(O)C(O)=C3	InChI=1S/C17H10O6/c18-10-3-1-8(2-4-10)15-16-14(23-17(15)21)6-9-5-11(19)12(20)7-13(9)22-16/h1-7,18-20H
HMDB02194	N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine	CC(=O)N[C@@H](CSCCC(=O)C(O)=O)C(O)=O	InChI=1S/C9H13NO6S/c1-5(11)10-6(8(13)14)4-17-3-2-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t6-/m0/s1
HMDB02195	Varanic acid	[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](O)[C@@H](O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C26H44O5/c1-15(4-9-22(28)23(29)24(30)31)19-7-8-20-18-6-5-16-14-17(27)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-23,27-29H,4-14H2,1-3H3,(H,30,31)/t15-,16-,17-,18+,19-,20+,21+,22-,23-,25+,26-/m1/s1
HMDB02196	Bismuth	[Bi+3]	InChI=1S/Bi/q+3
HMDB02197	7a,12a-Dihydroxy-cholestene-3-one	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2CC(=O)C=C[C@]12C	InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h11-12,16-18,20-25,29-30H,6-10,13-15H2,1-5H3/t17-,18?,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB02190	5,6-Epoxy-8,11,14-eicosatrienoic acid	CCCCC\C=C/C\C=C/C\C=C/CC1OC1CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
HMDB35239	4-Hexen-3-one	CCC(=O)\C=C\C	InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
HMDB02193	E,e-Carotene-3,3'-dione	C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(=O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CC(=O)CC1(C)C	InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
HMDB01314	Cyclic GMP	NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1	InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
HMDB56076	DG(20:0/0:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,41,44H,3-10,12,14-16,18,20-22,24,26-40H2,1-2H3/b13-11-,19-17-,25-23-
HMDB56077	DG(20:0/0:0/20:4n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,41,44H,3-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b13-11-,19-17-,25-23-,31-29-
HMDB56074	DG(20:0/0:0/18:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,25,27,39,42H,3-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3/b14-12-,21-18-,27-25-
HMDB56075	DG(20:0/0:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C42H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,40,43H,3-9,11,13-15,17,19-39H2,1-2H3/b12-10-,18-16-
HMDB56072	DG(20:0/0:0/24:1n9)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,45,48H,3-16,18,20-44H2,1-2H3/b19-17-
HMDB56073	DG(20:0/0:0/18:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C42H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,20,22,40,43H,3-13,15,17-19,21,23-39H2,1-2H3/b16-14-,22-20-
HMDB56070	DG(20:0/0:0/20:3n9)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,23,25,29,31,41,44H,3-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b19-17-,25-23-,31-29-
HMDB56071	DG(20:0/0:0/22:1n9)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-
HMDB57565	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-32,71-73,78H,5-24,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB56078	DG(20:0/0:0/22:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43,46H,3-10,12,14-16,18,20-42H2,1-2H3/b13-11-,19-17-
HMDB56079	DG(20:0/0:0/22:4n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,43,46H,3-10,12,14-16,18,20-21,23,25-27,29,31-42H2,1-2H3/b13-11-,19-17-,24-22-,30-28-
HMDB57564	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,73-75,80H,5-24,27,31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,32-28-/t73?,74-,75-/m1/s1
HMDB57563	CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-27,29-31,71-73,78H,5-24,28,32-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-/t71?,72-,73-/m1/s1
HMDB57562	CL(16:1(9Z)/18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57561	CL(16:1(9Z)/18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB57560	CL(16:1(9Z)/18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,29,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB40248	(S,S)-Nt-Histidinylalanine	NC(CN1C=NC(CC(N)C(O)=O)=C1)C(O)=O	InChI=1S/C9H14N4O4/c10-6(8(14)15)1-5-2-13(4-12-5)3-7(11)9(16)17/h2,4,6-7H,1,3,10-11H2,(H,14,15)(H,16,17)
HMDB40249	(S,S)-Np-Histidinylalanine	NC(CN1C=NC=C1CC(N)C(O)=O)C(O)=O	InChI=1S/C9H14N4O4/c10-6(8(14)15)1-5-2-12-4-13(5)3-7(11)9(16)17/h2,4,6-7H,1,3,10-11H2,(H,14,15)(H,16,17)
HMDB40242	3-Methyl-5-pentyl-1,2,4-trithiolane	CCCCCC1SSC(C)S1	InChI=1S/C8H16S3/c1-3-4-5-6-8-9-7(2)10-11-8/h7-8H,3-6H2,1-2H3
HMDB40243	2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane	CC1(C)SC(C)(C)SC(C)(C)S1	InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3
HMDB40240	2-Pentylthiophene	CCCCCC1=CC=CS1	InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
HMDB40241	1-(2-Thienyl)-1-heptanone	CCCCCCC(=O)C1=CC=CS1	InChI=1S/C11H16OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
HMDB40246	3,5,5-Trimethyl-2-cyclopenten-1-one	CC1=CC(=O)C(C)(C)C1	InChI=1S/C8H12O/c1-6-4-7(9)8(2,3)5-6/h4H,5H2,1-3H3
HMDB40247	2-Undecenal	CCCCCCCC\C=C\C=O	InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
HMDB40244	1-Propenyl propyl sulfide	CCCS\C=C\C	InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
HMDB40245	()-2-Methyl-3-(2-methylphenyl)propanal	CC(CC1=C(C)C=CC=C1)C=O	InChI=1S/C11H14O/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9H,7H2,1-2H3
HMDB33969	Benzyl isothiocyanate	S=C=NCC1=CC=CC=C1	InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
HMDB33968	Methyl benzoate	COC(=O)C1=CC=CC=C1	InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
HMDB00957	Pyrocatechol	OC1=CC=CC=C1O	InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
HMDB33965	Pantothenic acid, BAN; (R)-form, 4'-O-b-D-Glucopyranoside	CC(C)(COC1OC(CO)C(O)C(O)C1O)C(O)C(=O)NCCC(O)=O	InChI=1S/C15H27NO10/c1-15(2,12(23)13(24)16-4-3-8(18)19)6-25-14-11(22)10(21)9(20)7(5-17)26-14/h7,9-12,14,17,20-23H,3-6H2,1-2H3,(H,16,24)(H,18,19)
HMDB33967	Ethyl benzoate	CCOC(=O)C1=CC=CC=C1	InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
HMDB33966	Di-2-propenyl disulfide, 9CI	C=CCSSCC=C	InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
HMDB33961	2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine	CC(C)CCC1=CC2=CC=CN=C2N1	InChI=1S/C12H16N2/c1-9(2)5-6-11-8-10-4-3-7-13-12(10)14-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14)
HMDB33960	Curcumenol	CC1CCC2C(C)=CC3(O)OC12CC3=C(C)C	InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3
HMDB33963	Allicin	C=CCSS(=O)CC=C	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
HMDB33962	3-Phenyl-1-propanol	OCCCC1=CC=CC=C1	InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
HMDB51419	TG(22:1(13Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,35,37,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-34,36,38-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-,37-35-
HMDB51418	TG(22:1(13Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-
HMDB43818	TG(15:0/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-
HMDB51411	TG(22:1(13Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,35,37,54H,4-16,18-19,21-23,27-29,31-34,36,38-53H2,1-3H3/b20-17-,26-24-,30-25-,37-35-
HMDB51410	TG(22:1(13Z)/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,31,55H,4-19,21-22,25,28-30,32-54H2,1-3H3/b23-20-,26-24-,31-27-
HMDB51413	TG(22:1(13Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,56H,4-16,18-19,21-23,28-31,33,35-55H2,1-3H3/b20-17-,26-24-,27-25-,34-32-
HMDB43819	TG(15:0/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,38,41,54H,4-15,17-18,20-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,32-30-,41-38-
HMDB51415	TG(22:1(13Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,58H,4-15,17-18,20-23,28-57H2,1-3H3/b19-16-,26-24-,27-25-
HMDB51414	TG(22:1(13Z)/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,39,42,56H,4-16,18-19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,42-39-
HMDB51417	TG(22:1(13Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,36,39,44,47,58H,4-15,17-18,20-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,39-36-,47-44-
HMDB51416	TG(22:1(13Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,36,39,58H,4-15,17-18,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,39-36-
HMDB08127	PC(18:1(9Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-
HMDB08126	PC(18:1(9Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,34,37,41H,6-19,21,23-33,35-36,38-40H2,1-5H3/b22-20-,37-34-
HMDB08125	PC(18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20-22,28,48H,6-19,23-27,29-47H2,1-5H3/b22-20-,28-21-/t48-/m1/s1
HMDB08124	PC(18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h21,28,48H,6-20,22-27,29-47H2,1-5H3/b28-21-/t48-/m1/s1
HMDB08123	PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,29,31,35,37,46H,6-7,9,11-13,15,17-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
HMDB08122	PC(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,29,31,46H,6-7,9,11-13,15,17-19,23,27-28,30,32-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
HMDB08121	PC(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,29,31,35,37,46H,6-13,15,17-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
HMDB08120	PC(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,29,31,46H,6-13,15,17-19,23,27-28,30,32-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
HMDB55521	TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,38-40,42-44,47,60H,4-6,13-15,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB55520	TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,38-40,42-43,60H,4-6,13-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-
HMDB55523	TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-45,49,52,62H,4-6,13-15,22-24,30-31,37-39,46-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-
HMDB55522	TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-45,62H,4-6,13-15,22-24,30-31,37-39,46-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-
HMDB55525	TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H90O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-33,37-42,46,49,58H,4-6,13-15,22-24,29,34-36,43-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,42-39-,49-46-
HMDB43814	TG(15:0/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-39-42-45-48-51-54-60(62)65-57-58(56-64-59(61)53-50-47-44-41-38-24-21-18-15-12-9-6-3)63-55-52-49-46-43-40-37-35-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB08129	PC(18:1(9Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36,39,43H,6-19,24-35,37-38,40-42H2,1-5H3/b22-20-,23-21-,39-36-
HMDB08128	PC(18:1(9Z)/P-18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,21,23,36,39,43H,6-15,17,19-20,22,24-35,37-38,40-42H2,1-5H3/b18-16-,23-21-,39-36-
HMDB43815	TG(15:0/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-24-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,53H,4-18,20-21,23-26,28,30-52H2,1-3H3/b22-19-,29-27-
HMDB56745	CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-40,43-44,51-52,55-56,75-77,82H,5-20,23-24,28-30,32,37-38,41-42,45-50,53-54,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,35-33-,36-34-,43-39-,44-40-,55-51-,56-52-/t75?,76-,77-/m1/s1
HMDB43812	TG(15:0/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,32,38,41,54H,4-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b27-25-,32-30-,41-38-
HMDB43813	TG(15:0/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB47011	TG(24:0/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h25,27,34,36,41,44,58H,4-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b27-25-,36-34-,44-41-
HMDB43810	TG(15:0/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-52(50-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-
HMDB43337	TG(15:0/22:1(13Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h25-26,52H,4-24,27-51H2,1-3H3/b26-25-
HMDB43811	TG(15:0/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H108O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-
HMDB49331	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,30,32,35-36,39,41,44,56H,4-16,18-19,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB43336	TG(15:0/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,30,32,38,41,54H,4-24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b27-25-,32-30-,41-38-
HMDB49756	TG(18:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-
HMDB43339	TG(15:0/22:1(13Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-
HMDB43338	TG(15:0/22:1(13Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h25-26,53H,4-24,27-52H2,1-3H3/b26-25-
HMDB30568	Trisjuglone	OC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(C(=O)C3=C(C(O)=CC=C3)C2=O)C2=C1C(=O)C1=C(C(O)=CC=C1)C2=O	InChI=1S/C30H12O9/c31-13-7-1-4-10-16(13)28(37)22-19(25(10)34)23-21(27(36)11-5-2-8-14(32)17(11)29(23)38)24-20(22)26(35)12-6-3-9-15(33)18(12)30(24)39/h1-9,31-33H
HMDB49753	TG(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,35,37,43,46,56H,4-15,17-18,20-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-35-,46-43-
HMDB46913	TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-8,10-11,13-17,19-20,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB49752	TG(18:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,35,37,56H,4-15,17-18,20-24,28,32-34,36,38-55H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-35-
HMDB49751	TG(18:1(9Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,56H,4-15,17-18,20-24,28-30,32-55H2,1-3H3/b19-16-,27-25-,31-26-
HMDB49750	TG(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,33,38,41,54H,4-15,17-18,20-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b19-16-,27-25-,29-26-,33-30-,41-38-
HMDB49332	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,33,36,42,45,57H,4-13,15-16,18-20,22,27,29-32,34-35,37-41,43-44,46-56H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,36-33-,45-42-
HMDB45599	TG(20:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,35,40,43,49,52,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,35-32-,43-40-,52-49-
HMDB45598	TG(20:0/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,35,40,43,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,35-32-,43-40-
HMDB58645	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,67,84-86,91H,5-9,11-13,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-/t84?,85-,86-/m1/s1
HMDB45591	TG(20:0/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-
HMDB45590	TG(20:0/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-
HMDB45593	TG(20:0/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,38,41,58H,4-17,19-20,22-26,28-31,33-37,39-40,42-57H2,1-3H3/b21-18-,32-27-,41-38-
HMDB45592	TG(20:0/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,30,33,59H,4-20,22-23,25-29,31-32,34-58H2,1-3H3/b24-21-,33-30-
HMDB45595	TG(20:0/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,34,37,60H,4-15,17-18,20-24,26-27,29-33,35-36,38-59H2,1-3H3/b19-16-,28-25-,37-34-
HMDB45594	TG(20:0/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,59H,4-14,16-17,19-23,25-26,28-58H2,1-3H3/b18-15-,27-24-
HMDB45597	TG(20:0/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-
HMDB36258	Gladiatoside B1	COC1=C(C=CC=C1)C(=O)OC1C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3=O)=C2)C(O)C1O	InChI=1S/C47H56O25/c1-16-28(50)32(54)36(58)44(64-16)63-15-26-30(52)34(56)42(72-46-37(59)33(55)29(51)17(2)65-46)47(69-26)71-41-31(53)27-23(49)13-21(14-25(27)68-40(41)19-9-11-20(48)12-10-19)67-45-38(60)35(57)39(18(3)66-45)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-30,32-39,42,44-52,54-60H,15H2,1-4H3
HMDB36259	Gladiatoside A3	COC1=C(C=CC=C1)C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(C3=CC=C(O)C=C3)=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2=O)=C1	InChI=1S/C47H56O26/c1-16-28(51)33(56)37(60)44(65-16)64-15-26-31(54)36(59)42(73-45-38(61)34(57)30(53)25(14-48)69-45)47(70-26)72-40-32(55)27-22(50)12-20(13-24(27)68-39(40)18-8-10-19(49)11-9-18)67-46-41(35(58)29(52)17(2)66-46)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-31,33-38,41-42,44-54,56-61H,14-15H2,1-3H3
HMDB36250	Schidigerasaponin C1	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(=C)CO1	InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h19-41,45-54H,1,5-17H2,2-4H3
HMDB36251	Schidigerasaponin C2	CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(=C)CO1	InChI=1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(42)13-38(19,4)21(20)8-9-37(22,28)3)49-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)26(14-40)50-35/h18-36,40-47H,1,5-16H2,2-4H3
HMDB36252	Foetidissimoside B	CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OCC(O)C(O)C1O	InChI=1S/C63H100O31/c1-23-45(89-51-40(75)34(69)26(65)20-83-51)47(91-52-43(78)46(28(67)22-84-52)90-53-41(76)37(72)36(71)29(19-64)87-53)44(79)55(86-23)93-49-35(70)27(66)21-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(88-54-42(77)38(73)39(74)48(92-54)50(80)81)59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81)
HMDB36253	Schleichol 1	CCC(CCC(C)C1CCC2C3C(OC)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-28-26(14-16-30(24,25)6)29(5)15-13-23(31)17-22(29)18-27(28)32-7/h18-21,23-28,31H,8-17H2,1-7H3
HMDB36254	Gladiatoside C2	COC1=C(C=CC=C1)C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C=C2)=C1	InChI=1S/C29H26O12/c1-13-22(32)24(34)27(41-28(36)17-5-3-4-6-19(17)37-2)29(38-13)39-16-11-18(31)21-20(12-16)40-26(25(35)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,24,27,29-32,34-35H,1-2H3
HMDB36255	Gladiatoside C1	COC1=C(C=CC=C1)C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C1O	InChI=1S/C29H26O12/c1-13-22(32)27(41-28(36)17-5-3-4-6-19(17)37-2)25(35)29(38-13)39-16-11-18(31)21-20(12-16)40-26(24(34)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,25,27,29-32,34-35H,1-2H3
HMDB36256	Gladiatoside B3	COC1=C(C=CC=C1)C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(C3=CC=C(O)C=C3)=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2=O)=C1	InChI=1S/C47H56O25/c1-16-28(50)33(55)37(59)44(64-16)63-15-26-31(53)36(58)42(72-45-38(60)34(56)29(51)17(2)65-45)47(69-26)71-40-32(54)27-23(49)13-21(14-25(27)68-39(40)19-9-11-20(48)12-10-19)67-46-41(35(57)30(52)18(3)66-46)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-31,33-38,41-42,44-53,55-60H,15H2,1-4H3
HMDB36257	Gladiatoside B2	COC1=C(C=CC=C1)C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3=O)=C2)C1O	InChI=1S/C47H56O25/c1-16-28(50)33(55)36(58)44(64-16)63-15-26-31(53)35(57)42(72-45-37(59)34(56)29(51)17(2)65-45)47(69-26)71-41-32(54)27-23(49)13-21(14-25(27)68-39(41)19-9-11-20(48)12-10-19)67-46-38(60)40(30(52)18(3)66-46)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-31,33-38,40,42,44-53,55-60H,15H2,1-4H3
HMDB44978	TG(18:0/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,25-26,28,30,36,39,56H,4-16,18-19,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,28-25-,30-26-,39-36-
HMDB44979	TG(18:0/20:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,57H,4-13,15-16,18-22,24,27,29-56H2,1-3H3/b17-14-,26-23-,28-25-
HMDB44974	TG(18:0/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,33,36,42,45,58H,4-24,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b28-25-,29-26-,36-33-,45-42-
HMDB44975	TG(18:0/20:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-
HMDB44976	TG(18:0/20:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-
HMDB44977	TG(18:0/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32,57H,4-19,21-22,24,26-27,30-31,33-56H2,1-3H3/b23-20-,28-25-,32-29-
HMDB44970	TG(18:0/20:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,54H,4-20,22-23,26,28-53H2,1-3H3/b24-21-,27-25-
HMDB44971	TG(18:0/20:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,28,56H,4-19,21-22,24,26-27,29-55H2,1-3H3/b23-20-,28-25-
HMDB44972	TG(18:0/20:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-26,28,30,56H,4-24,27,29,31-55H2,1-3H3/b28-25-,30-26-
HMDB45629	TG(20:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-
HMDB40580	Dihydro-2-methyl-3(2H)-furanthione	CC1OCCC1=S.CC1=C(S)CCO1	InChI=1S/2C5H8OS/c2*1-4-5(7)2-3-6-4/h7H,2-3H2,1H3;4H,2-3H2,1H3
HMDB45627	TG(20:0/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,40,43,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-39,41-42,44-59H2,1-3H3/b12-9-,21-18-,34-27-,43-40-
HMDB45626	TG(20:0/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,34,60H,4-8,10-11,13-17,19-20,22-26,28-33,35-59H2,1-3H3/b12-9-,21-18-,34-27-
HMDB45625	TG(20:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,51,54,64H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,28-25-,36-33-,45-42-,54-51-
HMDB45624	TG(20:0/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,64H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,28-25-,36-33-,45-42-
HMDB45623	TG(20:0/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,64H,4-15,17-18,20-24,26-27,29-63H2,1-3H3/b19-16-,28-25-
HMDB45622	TG(20:0/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,36,39,45,48,62H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,39-36-,48-45-
HMDB45621	TG(20:0/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,36,39,62H,4-16,18-19,21-25,27-28,30-35,37-38,40-61H2,1-3H3/b20-17-,29-26-,39-36-
HMDB45620	TG(20:0/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,61H,4-14,16-17,19-23,25-26,28-60H2,1-3H3/b18-15-,27-24-
HMDB29001	Phenylalanyl-Methionine	CSCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)
HMDB29000	Phenylalanyl-Lysine	NCCCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C15H23N3O3/c16-9-5-4-8-12(17)14(19)18-13(15(20)21)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,16-17H2,(H,18,19)(H,20,21)
HMDB42480	TG(14:0/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,55H,4-23,25,27-54H2,1-3H3/b26-24-
HMDB42481	TG(14:0/24:1(15Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h23-24,52H,4-22,25-51H2,1-3H3/b24-23-
HMDB13509	PGP(18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,39-40,43H,3-5,7,9-11,13,15-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-6-,14-12-,20-18-/t39-,40+/m0/s1
HMDB13508	PGP(18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,39-40,43H,3-11,13,15-17,19,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,20-18-,26-24-/t39-,40+/m0/s1
HMDB29007	Phenylalanyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)
HMDB29006	Phenylalanyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)
HMDB13505	PGP(18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39-40,43H,3-13,15,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b16-14-/t39-,40+/m0/s1
HMDB13504	PGP(18:0/18:0)	[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H84O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,43H,3-38H2,1-2H3,(H,49,50)(H2,46,47,48)/t39-,40+/m0/s1
HMDB13507	PGP(18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,39-40,43H,3-11,13,15-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,20-18-/t39-,40+/m0/s1
HMDB13506	PGP(18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43H,3-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b20-18-/t39-,40+/m0/s1
HMDB13501	PGP(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H74O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,41-42,45H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t41-,42+/m0/s1
HMDB13500	PGP(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,41-42,45H,3-4,6,8-10,12,15,19,22-23,25,27-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
HMDB13503	PGP(18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37-38,41H,3-13,15,17-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b16-14-/t37-,38+/m0/s1
HMDB13502	PGP(18:0/16:0)	[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C40H80O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37-38,41H,3-36H2,1-2H3,(H,47,48)(H2,44,45,46)/t37-,38+/m0/s1
HMDB55008	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,38-41,43,47,49-50,52,62H,4-7,9-10,12-15,18,21-24,31,33-34,37,42,44-46,48,51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,50-47-,52-49-
HMDB40587	2-Ethylfuran	CCC1=CC=CO1	InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
HMDB59177	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61-62,64,66,68,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,47-49,53,55,58-60,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB40586	Vitamin D5	CCC(CCC(C)C1CCC2\C(CCCC12C)=C/C=C1/CC(O)CCC1=C)C(C)C	InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13-,25-14-
HMDB40589	3-Acetyl-2,5-dimethylthiophene	CC(=O)C1=C(C)SC(C)=C1	InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
HMDB59175	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61-62,64,66,68,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,47-49,53,55,58-60,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB40588	3-Ethylfuran	CCC1=COC=C1	InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3
HMDB59172	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,44-46,48-51,55-58,60-63,67,69-70,73-74,89-91,96H,5-8,11-12,15-20,29-32,41-43,47,52-54,59,64-66,68,71-72,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB59173	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-51,55-58,60-63,67,69,73,89-91,96H,5-8,12,16-20,29-32,41-43,47,52-54,59,64-66,68,70-72,74-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,73-69-/t89?,90-,91-/m1/s1
HMDB59170	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-28,33-40,44-46,48-51,55-58,60-63,67-70,72-74,89-91,96H,5-9,12-13,16-20,29-32,41-43,47,52-54,59,64-66,71,75-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,73-69-,74-70-/t89?,90-,91-/m1/s1
HMDB59171	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65,67-68,72,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,66,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,72-68-/t87?,88-,89-/m1/s1
HMDB35892	Ginsenoside Rb1	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3
HMDB43289	TG(15:0/20:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,55H,4-24,29-54H2,1-3H3/b27-25-,28-26-
HMDB43288	TG(15:0/20:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29,53H,4-24,28,30-52H2,1-3H3/b27-25-,29-26-
HMDB43287	TG(15:0/20:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,53H,4-19,21-22,24,26,28-52H2,1-3H3/b23-20-,27-25-
HMDB11121	trans-2-Enoyl-OPC6-CoA	CC\C=C/C[C@@H]1C(=O)CCC1CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C37H58N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,9,12,21-24,26,30-32,36,48-49H,4,6,8,10-11,13-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-,12-9+/t23?,24-,26+,30?,31-,32-,36+/m0/s1
HMDB43285	TG(15:0/20:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,24-25,49H,4-14,16-17,19-23,26-48H2,1-3H3/b18-15-,25-24-
HMDB43284	TG(15:0/20:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,59H,4-25,27,29-58H2,1-3H3/b28-26-
HMDB43283	TG(15:0/20:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,57H,4-25,27,29-56H2,1-3H3/b28-26-
HMDB43282	TG(15:0/20:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,55H,4-25,27,29-54H2,1-3H3/b28-26-
HMDB43281	TG(15:0/20:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,53H,4-24,26,28-52H2,1-3H3/b27-25-
HMDB11120	trans-2-Enoyl-OPC4-CoA	CC\C=C/C[C@@H]1C(=O)CCC1C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H54N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-7,10,19-22,24,28-30,34,46-47H,4,8-9,11-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-,10-7+/t21?,22-,24+,28?,29-,30-,34+/m0/s1
HMDB51805	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34-35,37,43,46,60H,4-8,10-11,13-16,19,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB59178	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB47999	TG(14:1(9Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,53H,4-14,16-17,19-23,25,27-52H2,1-3H3/b18-15-,26-24-
HMDB47998	TG(14:1(9Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,34,37,43,46,56H,4-6,8-9,11-14,17,20-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,37-34-,46-43-
HMDB47997	TG(14:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,29,31,34,37,56H,4-6,8-9,11-14,17,20-23,28,30,32-33,35-36,38-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,37-34-
HMDB47996	TG(14:1(9Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,38,41,54H,4-6,8-9,11-14,17,20-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,41-38-
HMDB47995	TG(14:1(9Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,54H,4-6,8-9,11-14,17,20-23,28-29,31,33-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-
HMDB47994	TG(14:1(9Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,33,36,52H,4-7,9-10,12-14,16,19,21-23,27,29-32,34-35,37-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,36-33-
HMDB47993	TG(14:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,52H,4-7,9-10,12-14,16,19,21-23,27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-
HMDB47992	TG(14:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,34,37,43,46,56H,4-14,17,20-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,37-34-,46-43-
HMDB47991	TG(14:1(9Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,34,37,56H,4-14,17,20-23,28,30,32-33,35-36,38-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,37-34-
HMDB47990	TG(14:1(9Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,56H,4-14,17,20-23,28-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-
HMDB36928	Mactraxanthin	C/C(/C=C/C=C(/C)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O	InChI=1S/C40H60O6/c1-29(17-13-19-31(3)21-23-39(45)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40(46)36(7,8)26-34(42)28-38(40,10)44/h11-24,33-34,41-46H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+
HMDB36929	13-Hydroxydihydromelleolide	CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3(O)C=C(CO)C12O	InChI=1S/C23H30O7/c1-12-5-14(25)6-15(26)18(12)19(27)30-17-9-21(4)16-8-20(2,3)11-22(16,28)7-13(10-24)23(17,21)29/h5-7,16-17,24-26,28-29H,8-11H2,1-4H3
HMDB36922	Isozeaxanthin	C/C(/C=C/C=C(/C)\C=C\C1=C(C)C(O)CCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C/C1=C(C)C(O)CCC1(C)C	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37-38,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21-,24-22+,29-15+,30-16+,31-19-,32-20-
HMDB36923	Cryptocapsin	C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20-,33-21-
HMDB36920	Neoxanthin	C/C(/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C/C=C\C=C(\C)/C=C/C=C(\C)C=C=C1C(C)(C)CC(O)CC1(C)O	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,24-23+,29-15-,30-16-,31-19+,32-20-
HMDB36921	(all-E)-Rubixanthin	CC(C)=CCC\C(C)=C\C=C\C(\C)=C/C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11-,21-14-,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24-,36-26-
HMDB36926	delta-Carotene-1,2-epoxide	C\C(CCC1OC1(C)C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1C(C)=CCCC1(C)C	InChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-26,28,37-38H,16,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17-,32-18+,33-21+,34-23-,35-24-
HMDB36927	7,7',8,8'-Tetrahydrolycopene	CC(C)=CCC\C(C)=C/CC\C(C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C\C=C(/C)CC\C=C(\C)CCC=C(C)C	InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15-,26-16+,35-21+,36-22+,37-27-,38-28-,39-29+,40-30-
HMDB36924	Capsorubin	O[C@H]1CC(C)(C)[C@@](C)(C1)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1
HMDB36925	delta-Carotene	CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1C(C)=CCCC1(C)C	InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24-,36-25+,37-27-
HMDB43755	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,38,41,59H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,41-38-
HMDB43754	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39,41,44,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-
HMDB43757	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,35,38,56H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,38-35-
HMDB43756	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,40,43,61H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-39,41-42,44-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,43-40-
HMDB43751	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-
HMDB43750	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,28-29,32,35,53H,4-6,8-9,11-15,17-18,21-22,24,27,30-31,33-34,36-52H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,35-32-
HMDB43753	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-
HMDB43752	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,55H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-
HMDB43759	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,35,38,56H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-34,36-37,39-55H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,38-35-
HMDB43758	TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-37,39,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-
HMDB47665	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39-40,43,45,48,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-
HMDB47664	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,35,38,44,47,65H,4-7,9-10,12-14,16,19,21-23,25,28,30-34,36-37,39-43,45-46,48-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,38-35-,47-44-
HMDB47667	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,37,41,47,50,68H,4-8,10-11,13-16,19,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-37-,50-47-
HMDB47666	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB47661	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,43,49,52,70H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-69H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-38-,52-49-
HMDB47462	TG(24:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,35,37,43,46,58H,4-14,16,19,21-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b18-15-,20-17-,27-25-,37-35-,46-43-
HMDB47663	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,37-38,43-44,46-47,64H,4-7,9-10,12-16,19,22-25,28,30-33,35-36,39-42,45,48-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-
HMDB47662	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35,38-39,44,47,65H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,36-37,40-43,45-46,48-64H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,38-35-,39-30-,47-44-
HMDB51809	TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,32-33,58H,4-7,10,13-16,19,22-24,29-31,34-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-
HMDB47669	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,57,68H,4-8,10-11,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55-56,58-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-
HMDB47668	TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,68H,4-8,10-11,13-16,19,22-25,28,31-35,38,40,42-44,46,49,51-67H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-
HMDB58881	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,43-48,53-54,57-58,65-66,69-70,85-87,92H,5-8,10-12,14-20,23-24,29-30,35-36,41-42,49-52,55-56,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB34270	5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one	COC1=CC(=O)OC(\C=C\C2=CC=CC=C2)=C1	InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
HMDB34271	Hypericin	CC1=C2C3=C(C)C=C(O)C4=C3C3=C5C2=C(C(O)=C1)C(=O)C1=C5C(=C(O)C=C1O)C1=C(O)C=C(O)C(C4=O)=C31	InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
HMDB34272	Psoralen	O=C1OC2=CC3=C(C=CO3)C=C2C=C1	InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
HMDB34273	Benzyl thiocyanate	N#CSCC1=CC=CC=C1	InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
HMDB34275	Mammea B/AC	CCCC(=O)C1=C(O)C(CC=C(C)C)=C2OC(=O)C=C(CCC)C2=C1O	InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-14(10-9-12(3)4)19(24)18(15(22)8-6-2)20(25)17(13)21/h9,11,24-25H,5-8,10H2,1-4H3
HMDB34276	L,L-Cyclo(leucylprolyl)	CC(C)CC1NC(=O)C2CCCN2C1=O	InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
HMDB34277	Ligustilide	CCC\C=C1\OC(=O)C2=C1CCC=C2	InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8+
HMDB34278	Auranetin	COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=CC(OC)=C(OC)C(OC)=C2O1	InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3
HMDB34279	Egonol	COC1=CC(CCCO)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1	InChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3
HMDB56555	CL(16:0/16:1(9Z)/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,27,29,31,69-71,76H,5-24,26,28,30,32-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,31-27-/t69?,70-,71-/m1/s1
HMDB38560	8-Butanoylneosolaniol	CCCC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C	InChI=1S/C23H32O9/c1-6-7-17(26)31-15-9-22(10-28-13(3)24)16(8-12(15)2)32-20-18(27)19(30-14(4)25)21(22,5)23(20)11-29-23/h8,15-16,18-20,27H,6-7,9-11H2,1-5H3
HMDB38561	8-Isobutanoylneosolaniol	CC(C)C(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C	InChI=1S/C23H32O9/c1-11(2)20(27)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-19-17(26)18(30-14(5)25)21(22,6)23(19)10-29-23/h7,11,15-19,26H,8-10H2,1-6H3
HMDB38562	8-Propanoylneosolaniol	CCC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C	InChI=1S/C22H30O9/c1-6-16(25)30-14-8-21(9-27-12(3)23)15(7-11(14)2)31-19-17(26)18(29-13(4)24)20(21,5)22(19)10-28-22/h7,14-15,17-19,26H,6,8-10H2,1-5H3
HMDB38563	(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal	COC1=CC(OC)=C(OC)C=C1\C=C/C=O	InChI=1S/C12H14O4/c1-14-10-8-12(16-3)11(15-2)7-9(10)5-4-6-13/h4-8H,1-3H3/b5-4-
HMDB38564	3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone	CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O	InChI=1S/C33H52N2O6/c1-23(2)16-14-12-10-8-6-7-9-11-13-15-17-30(39)40-22-25(35-24(3)36)20-27(37)26-18-19-29-31(32(26)34)28(38)21-33(4,5)41-29/h18-19,23,25H,6-17,20-22,34H2,1-5H3,(H,35,36)
HMDB38565	3'-N-Acetyl-4'-O-(14-methylheptadecanoyl)fusarochromanone	CC(C)CCCCCCCCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O	InChI=1S/C35H56N2O6/c1-25(2)18-16-14-12-10-8-6-7-9-11-13-15-17-19-32(41)42-24-27(37-26(3)38)22-29(39)28-20-21-31-33(34(28)36)30(40)23-35(4,5)43-31/h20-21,25,27H,6-19,22-24,36H2,1-5H3,(H,37,38)
HMDB38566	3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone	CCCCC\C=C\C=C\CCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O	InChI=1S/C35H52N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h9-12,21-22,27H,5-8,13-20,23-25,36H2,1-4H3,(H,37,38)/b10-9+,12-11+
HMDB38567	3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone	CCCCCCCC\C=C\CCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O	InChI=1S/C35H54N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h12-13,21-22,27H,5-11,14-20,23-25,36H2,1-4H3,(H,37,38)/b13-12+
HMDB38568	PC-M6	CC(C)(O)C1OC2CCC3(C)C(CCC4CC5=C(NC6=C5C=CC=C6)C34C)C2=CC1O	InChI=1S/C27H35NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,21-22,24,28-30H,9-13H2,1-4H3
HMDB38569	PC-M5'	CC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=CC=C4)CCC23O)OC1C(C)(C)O	InChI=1S/C29H37NO5/c1-16(31)34-23-15-20-22(35-25(23)26(2,3)32)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,22-23,25,30,32-33H,10-14H2,1-5H3
HMDB47461	TG(24:0/20:4(5Z,8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,44,47,53,56,68H,4-17,19-20,22-26,28-29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b21-18-,30-27-,47-44-,56-53-
HMDB15165	Ethinamate	NC(=O)OC1(CCCCC1)C#C	InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
HMDB35585	1-Phenyl-1,3-heneicosanedione	CCCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)24-27(29)25-21-18-17-19-22-25/h17-19,21-22H,2-16,20,23-24H2,1H3
HMDB15167	Mercaptopurine	S=C1N=CNC2=C1NC=N2	InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
HMDB15166	Probenecid	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O	InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
HMDB15161	Ketoconazole	CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1	InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
HMDB15160	Amlexanox	CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1	InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
HMDB15163	Irbesartan	CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1	InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
HMDB35584	1-Phenyl-1,3-nonadecanedione	CCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(26)22-25(27)23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3
HMDB15169	Procainamide	CCN(CC)CCNC(=O)C1=CC=C(N)C=C1	InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
HMDB35587	Pandamarilactonine A	CC1=CC(OC1=O)C1CCCN1CCC\C=C1/OC(=O)C(C)=C1	InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-
HMDB35586	1-Phenyl-1,3-docosanedione	CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C28H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(29)25-28(30)26-22-19-18-20-23-26/h18-20,22-23H,2-17,21,24-25H2,1H3
HMDB42909	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27-28,31,34,40,43,52H,4-6,8-9,11-15,17-18,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-
HMDB42908	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,14,16-17,19,23-24,26-27,29,32,38,41,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-,41-38-
HMDB42907	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,27-25-,35-32-,42-39-,51-48-
HMDB35581	1-Phenyl-1,3-hexadecanedione	CCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3
HMDB42905	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,38-35-,47-44-
HMDB42904	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,36-33-,45-42-
HMDB42903	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31,34,40,43,52H,4-6,8-9,11-15,17-18,20-23,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,34-31-,43-40-
HMDB42902	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,30,33,39,42,51H,4-6,8-9,11-15,17-18,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,33-30-,42-39-
HMDB42901	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,16,19,23-24,26-27,29,32,38,41,50H,4-6,8-9,11-15,17-18,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,32-29-,41-38-
HMDB35580	1-Phenyl-1,3-pentadecanedione	CCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-20(22)18-21(23)19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3
HMDB54322	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB58339	CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-39,44,46,54,58,75-77,82H,5-20,22-24,26-32,36,40-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,35-33-,38-37-,39-34-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB58338	CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27-32,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB38751	Avenic acid B	OCCC(NCCC(O)C(O)=O)C(O)=O	InChI=1S/C8H15NO6/c10-4-2-5(7(12)13)9-3-1-6(11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15)
HMDB58333	CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,34-39,74-76,81H,5-24,26-28,30-33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB58332	CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB58331	CL(18:1(9Z)/16:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-38-31-27-23-19-15-11-7-3)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,29,34-37,72-74,79H,5-24,26-28,30-33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB35582	1-Phenyl-1,3-heptadecanedione	CCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3
HMDB58337	CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-40,43,50,54,75-77,82H,5-20,22-24,26-32,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,38-34-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58336	CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,38,40,43,50,54,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB58335	CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-41-37-34-30-26-22-18-14-10-6-2/h21,25,33-35,37-38,42,48,52,73-75,80H,5-20,22-24,26-32,36,39-41,43-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,42-38-,52-48-/t73?,74-,75-/m1/s1
HMDB58334	CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB35766	Ascaridole	CC(C)C12CCC(C)(OO1)C=C2	InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3
HMDB30564	trans-Piceid	[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C(O[H])=C([H])C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=C2[H])C([H])=C1[H]	InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
HMDB30565	Resveratroloside	OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C(O)C1O	InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12/h1-9,16-26H,10H2/b2-1-
HMDB29830	N-Caffeoyltryptophan	OC(=O)C(CC1=CNC2=C1C=CC=C2)NC(=O)\C=C\C1=CC(O)=C(O)C=C1	InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+
HMDB29832	8-Carboxymethyldihydrochelerythrine	COC1=C(OC)C2=C(C=C1)C1=C(N(C)C2CC(O)=O)C2=C(C=C1)C=C1OCOC1=C2	InChI=1S/C23H21NO6/c1-24-16(10-20(25)26)21-13(6-7-17(27-2)23(21)28-3)14-5-4-12-8-18-19(30-11-29-18)9-15(12)22(14)24/h4-9,16H,10-11H2,1-3H3,(H,25,26)
HMDB29833	Cyclodopa glucoside	OCC1OC(OC2=C(O)C=C3NC(CC3=C2)C(O)=O)C(O)C(O)C1O	InChI=1S/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)
HMDB29834	Harmalan	CC1=NCCC2=C1NC1=C2C=CC=C1	InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
HMDB29835	Tetrahydroharmol	CC1NCCC2=C1NC1=C2C=CC(O)=C1	InChI=1S/C12H14N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6-7,13-15H,4-5H2,1H3
HMDB29836	1,2,3,4-Tetrahydro-2-methyl-b-carboline	CN1CCC2=C(C1)NC1=C2C=CC=C1	InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3
HMDB29837	Nb-Acetyl-Nb-methyltryptamine	CN(CCC1=CNC2=CC=CC=C12)C(C)=O	InChI=1S/C13H16N2O/c1-10(16)15(2)8-7-11-9-14-13-6-4-3-5-12(11)13/h3-6,9,14H,7-8H2,1-2H3
HMDB29838	Harmalol	CC1=NCCC2=C1NC1=C2C=CC(O)=C1	InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
HMDB29839	Ascorbigen	OC1COC2(O)C1OC(=O)C2(O)CC1=CNC2=CC=CC=C12	InChI=1S/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2
HMDB30567	(-)-3,4,9-Trimethoxypterocarpan	COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC)=C3OC)C1O2	InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-17-12(16(13)23-15(11)8-10)6-7-14(20-2)18(17)21-3/h4-8,13,16H,9H2,1-3H3
HMDB56554	CL(16:0/16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,26,29-30,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB35769	Brein	CC1CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C	InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h9,18-19,21-25,31-32H,10-17H2,1-8H3
HMDB10074	PIP2(18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h13,15,37,40-45,48-50H,3-12,14,16-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b15-13-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10075	PIP2(18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h13-16,37,40-45,48-50H,3-12,17-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b15-13-,16-14-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10076	PIP2(18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h13,15,18,20,37,40-45,48-50H,3-12,14,16-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b15-13-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10077	PIP2(18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12-15,18,20,37,40-45,48-50H,3-11,16-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,15-13-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10070	PIP2(18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10071	PIP2(18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17,19,22,24,39,42-47,50-52H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,19-17-,24-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10072	PIP2(18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h13,15,35,38-43,46-48H,3-12,14,16-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b15-13-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10073	PIP2(18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h13-16,35,38-43,46-48H,3-12,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b15-13-,16-14-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
HMDB10078	PIP2(18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h12-15,18,20,24,26,37,40-45,48-50H,3-11,16-17,19,21-23,25,27-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,15-13-,20-18-,26-24-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10079	PIP2(18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h6,8,12-15,18,20,37,40-45,48-50H,3-5,7,9-11,16-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b8-6-,14-12-,15-13-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB41188	Bis(methylsulfonylmethyl) disulfide	CS(=O)(=O)CSSCS(C)(=O)=O	InChI=1S/C4H10O4S4/c1-11(5,6)3-9-10-4-12(2,7)8/h3-4H2,1-2H3
HMDB41189	1,2,3,5-Benzenetetrol, 9CI, 8CI; 1,2,3-Tri-Me ether, 5-O-b-D-glucopyranoside	COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1OC	InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3
HMDB09488	PE(22:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,43H,3-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b23-18-/t43-/m1/s1
HMDB41184	20(29)-Lupene-2,3,28-triol; (2a,3b)-form, 3,28-Dihexadecanoyl	CCCCCCCCCCCCCCCC(=O)OCC12CCC(C1C1CCC3C4(C)CC(O)C(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C4CCC3(C)C1(C)CC2)C(C)=C	InChI=1S/C62H110O5/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-54(64)66-47-62-43-40-49(48(3)4)56(62)50-38-39-53-59(7)46-51(63)57(58(5,6)52(59)41-42-61(53,9)60(50,8)44-45-62)67-55(65)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-53,56-57,63H,3,10-47H2,1-2,4-9H3
HMDB41185	3-Hydroxyspirostan-6-one; (3b,5a,25R)-form, 3-O-[2-O-Acetyl-a-L-arabinopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3OC(C)=O)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C40H62O14/c1-18-6-11-40(50-15-18)19(2)30-28(54-40)14-24-22-13-26(42)25-12-21(7-9-38(25,4)23(22)8-10-39(24,30)5)52-36-34(47)33(46)32(45)29(53-36)17-49-37-35(51-20(3)41)31(44)27(43)16-48-37/h18-19,21-25,27-37,43-47H,6-17H2,1-5H3
HMDB04923	Ganglioside GD2 (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C72H126N4O34/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-42(85)41(76-50(89)29-27-25-23-20-15-13-11-9-7-2)37-101-67-59(95)58(94)61(48(35-80)103-67)105-68-60(96)65(62(49(36-81)104-68)106-66-53(75-40(5)84)57(93)55(91)46(33-78)102-66)110-72(70(99)100)31-44(87)52(74-39(4)83)64(109-72)56(92)47(34-79)107-71(69(97)98)30-43(86)51(73-38(3)82)63(108-71)54(90)45(88)32-77/h26,28,41-49,51-68,77-81,85-88,90-96H,6-25,27,29-37H2,1-5H3,(H,73,82)(H,74,83)(H,75,84)(H,76,89)(H,97,98)(H,99,100)/b28-26+/t41-,42+,43-,44-,45+,46+,47+,48+,49+,51+,52+,53+,54+,55-,56+,57+,58+,59+,60+,61+,62-,63?,64?,65+,66-,67+,68-,71+,72-/m0/s1
HMDB04921	Ganglioside GD3 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C77H139N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(91)80-51(52(87)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-102-72-66(96)65(95)68(58(47-84)104-72)105-73-67(97)71(63(93)56(45-82)103-73)109-77(75(100)101)43-54(89)61(79-50(4)86)70(108-77)64(94)57(46-83)106-76(74(98)99)42-53(88)60(78-49(3)85)69(107-76)62(92)55(90)44-81/h38,40,51-58,60-73,81-84,87-90,92-97H,5-37,39,41-48H2,1-4H3,(H,78,85)(H,79,86)(H,80,91)(H,98,99)(H,100,101)/b40-38+/t51-,52+,53-,54-,55+,56+,57+,58+,60+,61+,62+,63-,64+,65+,66?,67+,68+,69?,70?,71-,72+,73-,76+,77-/m0/s1
HMDB04920	Ganglioside GD3 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C76H137N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(90)79-50(51(86)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-101-71-65(95)64(94)67(57(46-83)103-71)104-72-66(96)70(62(92)55(44-81)102-72)108-76(74(99)100)42-53(88)60(78-49(4)85)69(107-76)63(93)56(45-82)105-75(73(97)98)41-52(87)59(77-48(3)84)68(106-75)61(91)54(89)43-80/h37,39,50-57,59-72,80-83,86-89,91-96H,5-36,38,40-47H2,1-4H3,(H,77,84)(H,78,85)(H,79,90)(H,97,98)(H,99,100)/b39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65?,66+,67+,68?,69?,70-,71+,72-,75+,76-/m0/s1
HMDB04927	Ganglioside GD2 (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C80H142N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(97)84-49(50(93)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-109-75-67(103)66(102)69(56(43-88)111-75)113-76-68(104)73(70(57(44-89)112-76)114-74-61(83-48(5)92)65(101)63(99)54(41-86)110-74)118-80(78(107)108)39-52(95)60(82-47(4)91)72(117-80)64(100)55(42-87)115-79(77(105)106)38-51(94)59(81-46(3)90)71(116-79)62(98)53(96)40-85/h34,36,49-57,59-76,85-89,93-96,98-104H,6-33,35,37-45H2,1-5H3,(H,81,90)(H,82,91)(H,83,92)(H,84,97)(H,105,106)(H,107,108)/b36-34+/t49-,50+,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70-,71?,72?,73+,74-,75+,76-,79+,80-/m0/s1
HMDB04926	Ganglioside GD2 (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C78H138N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(95)82-47(48(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-107-73-65(101)64(100)67(54(41-86)109-73)111-74-66(102)71(68(55(42-87)110-74)112-72-59(81-46(5)90)63(99)61(97)52(39-84)108-72)116-78(76(105)106)37-50(93)58(80-45(4)89)70(115-78)62(98)53(40-85)113-77(75(103)104)36-49(92)57(79-44(3)88)69(114-77)60(96)51(94)38-83/h32,34,47-55,57-74,83-87,91-94,96-102H,6-31,33,35-43H2,1-5H3,(H,79,88)(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b34-32+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68-,69?,70?,71+,72-,73+,74-,77+,78-/m0/s1
HMDB04925	Ganglioside GD2 (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C76H134N4O34/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(89)45(80-54(93)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)41-105-71-63(99)62(98)65(52(39-84)107-71)109-72-64(100)69(66(53(40-85)108-72)110-70-57(79-44(5)88)61(97)59(95)50(37-82)106-70)114-76(74(103)104)35-48(91)56(78-43(4)87)68(113-76)60(96)51(38-83)111-75(73(101)102)34-47(90)55(77-42(3)86)67(112-75)58(94)49(92)36-81/h30,32,45-53,55-72,81-85,89-92,94-100H,6-29,31,33-41H2,1-5H3,(H,77,86)(H,78,87)(H,79,88)(H,80,93)(H,101,102)(H,103,104)/b32-30+/t45-,46+,47-,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66-,67?,68?,69+,70-,71+,72-,75+,76-/m0/s1
HMDB04924	Ganglioside GD2 (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C78H136N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(95)82-47(48(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-107-73-65(101)64(100)67(54(41-86)109-73)111-74-66(102)71(68(55(42-87)110-74)112-72-59(81-46(5)90)63(99)61(97)52(39-84)108-72)116-78(76(105)106)37-50(93)58(80-45(4)89)70(115-78)62(98)53(40-85)113-77(75(103)104)36-49(92)57(79-44(3)88)69(114-77)60(96)51(94)38-83/h20-21,32,34,47-55,57-74,83-87,91-94,96-102H,6-19,22-31,33,35-43H2,1-5H3,(H,79,88)(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b21-20-,34-32+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68-,69?,70?,71+,72-,73+,74-,77+,78-/m0/s1
HMDB04929	Ganglioside GD2 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C84H148N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-62(101)88-53(54(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-113-79-71(107)70(106)73(60(47-92)115-79)117-80-72(108)77(74(61(48-93)116-80)118-78-65(87-52(5)96)69(105)67(103)58(45-90)114-78)122-84(82(111)112)43-56(99)64(86-51(4)95)76(121-84)68(104)59(46-91)119-83(81(109)110)42-55(98)63(85-50(3)94)75(120-83)66(102)57(100)44-89/h20-21,38,40,53-61,63-80,89-93,97-100,102-108H,6-19,22-37,39,41-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/b21-20-,40-38+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74-,75?,76?,77+,78-,79+,80-,83+,84-/m0/s1
HMDB04928	Ganglioside GD2 (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C82H146N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-60(99)86-51(52(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-111-77-69(105)68(104)71(58(45-90)113-77)115-78-70(106)75(72(59(46-91)114-78)116-76-63(85-50(5)94)67(103)65(101)56(43-88)112-76)120-82(80(109)110)41-54(97)62(84-49(4)93)74(119-82)66(102)57(44-89)117-81(79(107)108)40-53(96)61(83-48(3)92)73(118-81)64(100)55(98)42-87/h36,38,51-59,61-78,87-91,95-98,100-106H,6-35,37,39-47H2,1-5H3,(H,83,92)(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/b38-36+/t51-,52+,53-,54-,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72-,73?,74?,75+,76-,77+,78-,81+,82-/m0/s1
HMDB58399	CL(18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB54324	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,8,11,13-15,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB44358	TG(16:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34,36-37,39,58H,4-6,8-9,11-15,18,21-24,29,31,33,35,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-
HMDB44359	TG(16:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34,36-37,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-
HMDB12326	L-Gulose	OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m0/s1
HMDB12327	2-Deoxygalactopyranose	OC[C@H]1OC(O)C[C@@H](O)[C@H]1O	InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6-/m1/s1
HMDB12325	Arabinofuranose	OC[C@@H]1OC(O)[C@H](O)[C@H]1O	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5?/m0/s1
HMDB12322	2-Naphthol	OC1=CC2=CC=CC=C2C=C1	InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
HMDB12320	Galactosylceramide (d18:1/12:0)	CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23-/t29?,30?,31-,33+,34+,35-,36-/m1/s1
HMDB12321	Galactosylceramide (d18:1/14:0)	CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25-/t31?,32?,33-,35+,36+,37-,38-/m1/s1
HMDB56270	DG(24:1n9/0:0/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C46H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h10,12,16-19,44,47H,3-9,11,13-15,20-43H2,1-2H3/b12-10-,18-16-,19-17-
HMDB56271	DG(24:1n9/0:0/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,45,48H,3-11,13,15-16,21-26,28,30-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-
HMDB56272	DG(24:1n9/0:0/20:4n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,33,35,45,48H,3-11,13,15-16,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-,35-33-
HMDB56273	DG(24:1n9/0:0/22:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47,50H,3-11,13,15-16,21-46H2,1-2H3/b14-12-,19-17-,20-18-
HMDB56274	DG(24:1n9/0:0/22:4n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,47,50H,3-11,13,15-16,21-24,26,28-30,32,34-46H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-
HMDB56275	DG(24:1n9/0:0/22:5n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,47,50H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-
HMDB12328	Palmitelaidic acid	CCCCCC\C=C\CCCCCCCC(O)=O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
HMDB12329	4-Oxoretinol	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C	InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+
HMDB30698	5,7-Dimethoxyisoflavone	COC1=CC(OC)=C2C(=O)C(=COC2=C1)C1=CC=CC=C1	InChI=1S/C17H14O4/c1-19-12-8-14(20-2)16-15(9-12)21-10-13(17(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3
HMDB50308	TG(20:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,37,40,54H,4-15,17-18,20-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,40-37-
HMDB50309	TG(20:1(11Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,56H,4-15,17-18,20-23,28-55H2,1-3H3/b19-16-,26-24-,27-25-
HMDB50306	TG(20:1(11Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,53H,4-13,15-16,18-22,27-52H2,1-3H3/b17-14-,25-23-,26-24-
HMDB50307	TG(20:1(11Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,54H,4-15,17-18,20-23,28-29,31,33-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-
HMDB50304	TG(20:1(11Z)/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h20,23-24,26-27,29,53H,4-19,21-22,25,28,30-52H2,1-3H3/b23-20-,26-24-,29-27-
HMDB50305	TG(20:1(11Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28,33,35,52H,4-16,18-19,21-23,27,29-32,34,36-51H2,1-3H3/b20-17-,26-24-,28-25-,35-33-
HMDB50302	TG(20:1(11Z)/14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h24-27,56H,4-23,28-55H2,1-3H3/b26-24-,27-25-
HMDB50303	TG(20:1(11Z)/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-
HMDB50300	TG(20:1(11Z)/14:0/20:1(11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,54H,4-23,28-53H2,1-3H3/b26-24-,27-25-
HMDB50301	TG(20:1(11Z)/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30,32,37,40,54H,4-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b26-24-,27-25-,32-30-,40-37-
HMDB42077	TG(14:0/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h16,19,23-24,28,30,46H,4-15,17-18,20-22,25-27,29,31-45H2,1-3H3/b19-16-,24-23-,30-28-
HMDB53578	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,35,39,41-42,44,57H,4-8,10-11,13,15,20,22,24,29-30,32,34,36-38,40,43,45-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-,44-41-
HMDB53579	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,33,41,44,59H,4-8,10-11,13,15,20,22,24,29-32,34-40,42-43,45-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,33-27-,44-41-
HMDB42076	TG(14:0/14:0/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2/h19,22,24-25,47H,4-18,20-21,23,26-46H2,1-3H3/b22-19-,25-24-
HMDB53574	TG(20:2n6/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,37,40,46,49,59H,4-6,8,11,13,15,20,22,24,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB53575	TG(20:2n6/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h9,12-13,16,18,21-22,25,27,30,56H,4-8,10-11,14-15,17,19-20,23-24,26,28-29,31-55H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,30-27-
HMDB53576	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12-14,16-18,21-23,25-27,30,38,41,56H,4-8,10-11,15,19-20,24,28-29,31-37,39-40,42-55H2,1-3H3/b12-9-,16-13-,17-14-,21-18-,25-22-,26-23-,30-27-,41-38-
HMDB53577	TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31,33,35,39,42,57H,4-8,10-11,13,15,20,22,24,29-30,32,34,36-38,40-41,43-56H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,42-39-
HMDB53570	TG(20:2n6/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-13,16-18,20-22,25-27,29-30,35,38,55H,4-7,10,14-15,19,23-24,28,31-34,36-37,39-54H2,1-3H3/b11-8-,12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-
HMDB42075	TG(14:0/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h23-24,52H,4-22,25-51H2,1-3H3/b24-23-
HMDB53572	TG(20:2n6/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31,33,35,41,44,57H,4-6,8,11,13,15,20,22,24,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,44-41-
HMDB53573	TG(20:2n6/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,37,40,59H,4-6,8,11,13,15,20,22,24,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-
HMDB53093	TG(18:3(6Z,9Z,12Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-28,31,33,35,37,40-41,44,57H,4-6,8-9,11-13,15,20,22,24,29-30,32,34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-,44-41-
HMDB42074	TG(14:0/14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h23-24,50H,4-22,25-49H2,1-3H3/b24-23-
HMDB42073	TG(14:0/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h23-24,26-27,32,35,48H,4-22,25,28-31,33-34,36-47H2,1-3H3/b24-23-,27-26-,35-32-
HMDB42072	TG(14:0/14:0/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h23-24,48H,4-22,25-47H2,1-3H3/b24-23-
HMDB53090	TG(18:3(6Z,9Z,12Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,13,16-18,20-22,25-27,29-30,36,39,55H,4-7,9-10,12,14-15,19,23-24,28,31-35,37-38,40-54H2,1-3H3/b11-8-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,39-36-
HMDB42071	TG(14:0/14:0/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h23-24,46H,4-22,25-45H2,1-3H3/b24-23-
HMDB43884	TG(16:0/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C52H102O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(57-52(54)46-43-40-37-34-30-24-21-18-15-12-9-6-3)49-56-51(53)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB42070	TG(14:0/14:0/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-
HMDB58221	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58220	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB43881	TG(16:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,35,38,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-34,36-37,39-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-,38-35-
HMDB58223	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,41-44,50,52,54,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB43880	TG(16:0/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,30,51H,4-6,8-9,11-15,17-18,20-24,27,29,31-50H2,1-3H3/b10-7-,19-16-,26-25-,30-28-
HMDB11679	DHAP(6:0)	CCCCCC(=O)OCC(=O)COP(O)(O)=O	InChI=1S/C9H17O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h2-7H2,1H3,(H2,12,13,14)
HMDB11678	Geranylgeranylcysteine	SC[C@H](NC(=O)\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O	InChI=1S/C23H37NO3S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-22(25)24-21(16-28)23(26)27/h9,11,13,15,21,28H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H,26,27)/b18-11+,19-13+,20-15+/t21-/m0/s1
HMDB00712	Hexadecanedioic acid mono-L-carnitine ester	C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCCCC(O)=O	InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)
HMDB00713	Isoallolithocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18+,19-,20+,21+,23+,24-/m1/s1
HMDB00714	Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
HMDB00715	Kynurenic acid	OC(=O)C1=CC(=O)C2=CC=CC=C2N1	InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
HMDB00716	L-Pipecolic acid	OC(=O)[C@@H]1CCCCN1	InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
HMDB00717	Isolithocholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
HMDB11671	ADP-ribose 1&quot;-2&quot; cyclic phosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC3OP(O)(=O)OC3C2O)[C@@H](O)[C@H]1O	InChI=1S/C15H22N5O16P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-37(24,25)36-38(26,27)31-2-6-9(22)11-15(33-6)35-39(28,29)34-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9?,10-,11?,14-,15?/m1/s1
HMDB11670	8-Oxo-dGMP	NC1=NC(=O)C2=C(N1)N(C1C[C@H](O)C(COP(O)(O)=O)O1)C(=O)N2	InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4?,5?/m0/s1
HMDB11673	Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19+/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+/m1/s1
HMDB11672	Aflatoxin B1 dialcohol	COC1=CC2=C(C(CO2)C(O)CO)C2=C1C1=C(C(=O)CC1)C(=O)C2	InChI=1S/C18H18O6/c1-23-14-5-15-17(10(7-24-15)13(22)6-19)9-4-12(21)18-8(16(9)14)2-3-11(18)20/h5,10,13,19,22H,2-4,6-7H2,1H3
HMDB11675	DHAP(10:0)	CCCCCCCCCC(=O)OCC(=O)COP(O)(O)=O	InChI=1S/C13H25O7P/c1-2-3-4-5-6-7-8-9-13(15)19-10-12(14)11-20-21(16,17)18/h2-11H2,1H3,(H2,16,17,18)
HMDB11677	Galactose-beta-1,4-xylose	OC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C11H20O10/c12-1-3-5(13)7(15)9(17)11(20-3)21-4-2-19-10(18)8(16)6(4)14/h3-18H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10-,11+/m1/s1
HMDB11676	D-Xylono-1,5-lactone	O[C@@H]1COC(=O)[C@H](O)[C@H]1O	InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1
HMDB52199	TG(24:1(15Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,35,41,44,61H,4-8,10-11,13,15-16,19-20,22,24,29-34,36-40,42-43,45-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,35-27-,44-41-
HMDB52198	TG(24:1(15Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,35,61H,4-8,10-11,13,15-16,19-20,22,24,29-34,36-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,35-27-
HMDB58227	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,10-12,14-20,24,29-31,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB52191	TG(24:1(15Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,25-28,35,41,44,61H,4-13,15-16,19-20,22,24,29-34,36-40,42-43,45-60H2,1-3H3/b17-14-,21-18-,26-23-,28-25-,35-27-,44-41-
HMDB52190	TG(24:1(15Z)/20:2n6/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h15,18,20,23-25,27-29,36,62H,4-14,16-17,19,21-22,26,30-35,37-61H2,1-3H3/b18-15-,23-20-,27-24-,28-25-,36-29-
HMDB52193	TG(24:1(15Z)/20:2n6/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,38,40,63H,4-14,16,19,21-23,30-37,39,41-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,40-38-
HMDB52192	TG(24:1(15Z)/20:2n6/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,23-28,62H,4-13,16,19-22,29-61H2,1-3H3/b17-14-,18-15-,26-23-,27-24-,28-25-
HMDB52195	TG(24:1(15Z)/20:2n6/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,65H,4-14,16,19,21-23,30-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-
HMDB52194	TG(24:1(15Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,38,40,46,49,63H,4-14,16,19,21-23,30-37,39,41-45,47-48,50-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,40-38-,49-46-
HMDB52197	TG(24:1(15Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,35,37,42,45,51,54,65H,4-14,16,19,21-23,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,37-35-,45-42-,54-51-
HMDB52196	TG(24:1(15Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,35,37,42,45,65H,4-14,16,19,21-23,30-34,36,38-41,43-44,46-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,37-35-,45-42-
HMDB58125	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21,25-28,30-33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB58122	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,37-39,41-43,78-80,85H,5-24,33-36,40,44-77H2,1-4H3,(H,90,91)(H,92,93)/b29-25-,30-26-,31-27-,32-28-,41-37-,42-38-,43-39-/t78?,79-,80-/m1/s1
HMDB58123	CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25-28,30-33,37-39,42-44,48,56,60,79-81,86H,5-20,22-24,29,34-36,40-41,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB57651	CL(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57650	CL(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57653	CL(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-32,35-38,73-75,80H,5-24,33-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,32-28-,37-35-,38-36-/t74-,75-/m1/s1
HMDB57652	CL(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57655	CL(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,29,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB57654	CL(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35-36,38-39,43,51,55,74-76,81H,5-20,22-24,29,34,37,40-42,44-50,52-54,56-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-36-,43-39-,55-51-/t74?,75-,76-/m1/s1
HMDB57657	CL(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB57656	CL(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1
HMDB57659	CL(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-32,36,39,74-76,81H,5-24,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB46943	TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,34,36,42,45,63H,4-7,9-10,12-14,16,19,21-23,25,28,30-33,35,37-41,43-44,46-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,36-34-,45-42-
HMDB46598	TG(22:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,37,43,46,52,55,66H,4-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,46-43-,55-52-
HMDB41955	norcocaine	COC(=O)C1C2CCC(CC1C(=O)OC1=CC=CC=C1)N2	InChI=1S/C16H19NO4/c1-20-16(19)14-12(9-10-7-8-13(14)17-10)15(18)21-11-5-3-2-4-6-11/h2-6,10,12-14,17H,7-9H2,1H3
HMDB41954	norbutorphanol	[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2	InChI=1S/C16H21NO2/c18-12-4-3-11-9-14-16(19)6-2-1-5-15(16,7-8-17-14)13(11)10-12/h3-4,10,14,17-19H,1-2,5-9H2/t14-,15+,16-/m1/s1
HMDB44350	TG(16:0/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,40,43,56H,4-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB06650	Lacto-N-decaose	CC[C@H]1OC(OC2[C@H](C)[C@@H](NC(C)=O)C(OC[C@H]3OC(OC4[C@H](C)[C@@H](NC(C)=O)C(OCC5OC(OC6[C@@H](C)OC(C)[C@H](C)[C@H]6C)[C@H](C)C(OC6O[C@H](CC)[C@H](C)C(OC7O[C@H](CC)[C@H](C)[C@H](C)[C@H]7C)[C@H]6NC(C)=O)[C@H]5C)O[C@@H]4CC)[C@H](C)C(OC4O[C@H](CC)[C@H](C)C(OC5O[C@H](CC)[C@H](C)[C@H](C)[C@H]5C)[C@H]4NC(C)=O)[C@H]3C)O[C@@H]2CC)[C@H](C)[C@@H](C)[C@H]1C	InChI=1S/C95H168N4O23/c1-33-67-46(12)42(8)50(16)87(107-67)119-83-57(23)76(96-63(29)100)92(112-72(83)38-6)105-41-75-56(22)81(117-95-79(99-66(32)103)86(54(20)71(37-5)111-95)122-89-52(18)44(10)48(14)69(35-3)109-89)60(26)91(115-75)120-84-58(24)77(97-64(30)101)93(113-73(84)39-7)104-40-74-55(21)80(59(25)90(114-74)118-82-49(15)45(11)61(27)106-62(82)28)116-94-78(98-65(31)102)85(53(19)70(36-4)110-94)121-88-51(17)43(9)47(13)68(34-2)108-88/h42-62,67-95H,33-41H2,1-32H3,(H,96,100)(H,97,101)(H,98,102)(H,99,103)/t42-,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57+,58+,59+,60+,61?,62+,67+,68+,69+,70+,71+,72+,73+,74?,75+,76+,77+,78+,79+,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91?,92?,93?,94?,95?/m0/s1
HMDB52229	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-16,19,22-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB51839	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36,38-39,41,45,48,62H,4-8,10-11,13-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB52227	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,42,45,51,54,66H,4-16,19,22-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,45-42-,54-51-
HMDB52226	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,38,40-41,43,47,49-50,52,64H,4-16,19,22-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB46599	TG(22:0/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,36,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-
HMDB52224	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,39,42,48,51,63H,4-14,16,19,21-23,30-38,40-41,43-47,49-50,52-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,42-39-,51-48-
HMDB52223	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,36,38,41-42,45,47,50,62H,4-16,19,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB52222	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,37,39,42,48,51,63H,4-16,18-19,22-23,27,31-36,38,40-41,43-47,49-50,52-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-30-,42-39-,51-48-
HMDB52221	TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,44,47,53,56,68H,4-17,19-20,22-24,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,47-44-,56-53-
HMDB52220	TG(24:1(15Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,63H,4-16,18-19,21-24,27,30-37,39-40,42-62H2,1-3H3/b20-17-,28-25-,29-26-,41-38-
HMDB54100	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,39-40,42-43,56H,4-15,18,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB01392	p-Aminobenzoic acid	NC1=CC=C(C=C1)C(O)=O	InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
HMDB01391	GDP-4-Dehydro-6-L-deoxygalactose	C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OCC2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H](O)C1=O	InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5?,8+,9+,10+,11-,14+,15?/m0/s1
HMDB01390	Hydroxycotinine	CN1[C@@H](CC(O)C1=O)C1=CN=CC=C1	InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1
HMDB01397	Guanosine monophosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
HMDB01396	5-Methyltetrahydrofolic acid	CN1C(CNC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2	InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1
HMDB44351	TG(16:0/20:3n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,34,37,58H,4-15,18,21-24,29-33,35-36,38-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,37-34-
HMDB01394	Heparin	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)O[C@H](O[C@H]3[C@H](O)[C@@H](OS(O)(=O)=O)C(O)O[C@H]3C(O)=O)[C@H](OS(O)(=O)=O)[C@H]2CS(O)(=O)=O)O[C@@H]1C(O)=O	InChI=1S/C26H41NO34S4/c1-4(28)27-7-9(30)8(29)6(2-52-63(43,44)45)53-24(7)56-15-10(31)11(32)25(58-19(15)21(36)37)55-13-5(3-62(40,41)42)14(60-64(46,47)48)26(59-22(13)38)57-16-12(33)17(61-65(49,50)51)23(39)54-18(16)20(34)35/h5-19,22-26,29-33,38-39H,2-3H2,1H3,(H,27,28)(H,34,35)(H,36,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,22-,23?,24+,25+,26-/m0/s1
HMDB54108	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB54109	TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB01399	4,6-Dideoxy-4-oxo-dTDP-D-glucose	C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)C1=O	InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15?/m1/s1
HMDB01398	Guaiacol	COC1=CC=CC=C1O	InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
HMDB46491	TG(22:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,34,59H,4-19,22,25-28,30-33,35-58H2,1-3H3/b23-20-,24-21-,34-29-
HMDB47177	TG(24:0/14:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,25,32,56H,4-14,16-17,19-24,26-31,33-55H2,1-3H3/b18-15-,32-25-
HMDB40673	Artonin K	COC1=CC2=C(C(O)=C1)C(=O)C1=C(O2)C2=C3C(C1)C(C)(C)OC3=C(O)C=C2O	InChI=1S/C21H18O7/c1-21(2)10-6-9-18(25)16-11(22)4-8(26-3)5-14(16)27-19(9)17-12(23)7-13(24)20(28-21)15(10)17/h4-5,7,10,22-24H,6H2,1-3H3
HMDB40672	4,7-Megastigmadiene-3,9-diol; (3S,7E,9R)-form, 3-Ketone, 9-O-[b-D-apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C	InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+
HMDB40671	Physapruin B	CCCCOC12CC=CC(=O)C1(C)C1CCC3(C)C(O)(CCC3(O)C(C)(O)C3CC(C)=C(C)C(=O)O3)C1CC2OC(C)=O	InChI=1S/C34H50O9/c1-8-9-17-41-33-13-10-11-25(36)30(33,6)23-12-14-29(5)32(39,24(23)19-27(33)42-22(4)35)15-16-34(29,40)31(7,38)26-18-20(2)21(3)28(37)43-26/h10-11,23-24,26-27,38-40H,8-9,12-19H2,1-7H3
HMDB40670	Acutilobin	C\C=C(\C)C(=O)OC1CC2=CC3=C(OC(=O)C=C3)C=C2OC1(C)C	InChI=1S/C19H20O5/c1-5-11(2)18(21)23-16-9-13-8-12-6-7-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/b11-5-
HMDB40677	Hydroxysafflor yellow A	OCC1OC(C(O)C(O)C1O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O	InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3-
HMDB40676	(2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2-&gt;7,4-&gt;8)-3,3',5,5',7-pentahydroxyflavan	OC1CC2=C(OC1C1=CC(O)=CC(O)=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O	InChI=1S/C30H24O11/c31-14-3-1-13(2-4-14)30-29(38)26(24-20(36)8-17(34)9-22(24)40-30)25-23(41-30)11-19(35)18-10-21(37)27(39-28(18)25)12-5-15(32)7-16(33)6-12/h1-9,11,21,26-27,29,31-38H,10H2
HMDB40675	Artonin J	CC(C)=CCC1=C(O)C2=C3C(CC4=C2OC2=C(C(O)=CC(O)=C2)C4=O)C(C)(C)OC3=C1O	InChI=1S/C25H24O7/c1-10(2)5-6-12-20(28)19-17-14(25(3,4)32-24(17)22(12)30)9-13-21(29)18-15(27)7-11(26)8-16(18)31-23(13)19/h5,7-8,14,26-28,30H,6,9H2,1-4H3
HMDB40674	Artonin L	COC1=CC2=C(C(O)=C1)C(=O)C1=C(O2)C2=C3C(C1)C(C)(C)OC3=C(O)C=C2OC	InChI=1S/C22H20O7/c1-22(2)11-7-10-19(25)17-12(23)5-9(26-3)6-15(17)28-20(10)18-14(27-4)8-13(24)21(29-22)16(11)18/h5-6,8,11,23-24H,7H2,1-4H3
HMDB51550	TG(22:1(13Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,41,44,58H,4-16,18-19,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-,44-41-
HMDB47171	TG(24:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,47,50,56,59,70H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b12-9-,21-18-,30-27-,41-38-,50-47-,59-56-
HMDB40679	(2S,3R,4R)-3,4,4'-Trihydroxyflavan	OC1C(O)C2=C(OC1C1=CC=C(O)C=C1)C=CC=C2	InChI=1S/C15H14O4/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,13-18H
HMDB40678	Epicatechin-(2beta-&gt;5,4beta-&gt;6)-ent-epicatechin	OC1CC2=C3OC4(OC5=C(C(C4O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C5)C1=CC=C(O)C(O)=C1	InChI=1S/C30H24O12/c31-13-7-19(36)24-23(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-20(37)10-22-14(28(25)42-30)9-21(38)27(40-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26-27,29,31-39H,9H2
HMDB51554	TG(22:1(13Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-
HMDB07722	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,33,35,43,46H,3-5,7,9-10,15-16,21,23,25,30-32,34,36-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,35-33-/t43-/m0/s1
HMDB51556	TG(22:1(13Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,33,36,58H,4-7,9-10,12-16,18-19,22-23,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,36-33-
HMDB47170	TG(24:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,38,41,47,50,70H,4-8,10-11,13-17,19-20,22-26,28-29,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b12-9-,21-18-,30-27-,41-38-,50-47-
HMDB48084	TG(14:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-31,33,36,42,45,55H,4-14,17,21-22,25,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,30-29-,31-27-,36-33-,45-42-
HMDB44897	TG(18:0/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,32,35,52H,4-15,17-18,20,22-23,26,28-31,33-34,36-51H2,1-3H3/b19-16-,24-21-,27-25-,35-32-
HMDB48086	TG(14:1(9Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25-28,32,35,51H,4-7,9-10,12-14,16,21,23-24,29-31,33-34,36-50H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,28-26-,35-32-
HMDB07723	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32-35,43,46H,3-5,7,9-10,15-16,21,23,25,30-31,36-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1
HMDB44352	TG(16:0/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34,36-37,39,58H,4-15,18,21-24,29,31,33,35,38,40-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-
HMDB47173	TG(24:0/14:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,62H,4-14,16-17,19-61H2,1-3H3/b18-15-
HMDB48082	TG(14:1(9Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,31,55H,4-14,17,21-22,25,28-30,32-54H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-27-
HMDB44896	TG(18:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,27,29,53H,4-18,20,23,25-26,28,30-52H2,1-3H3/b22-19-,24-21-,29-27-
HMDB07724	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,35,37,45,48H,3-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,19-17-,25-23-,31-29-,37-35-/t45-/m0/s1
HMDB48088	TG(14:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26-27,29-31,37,40,53H,4-6,8-9,11-14,17,21-22,25,28,32-36,38-39,41-52H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-27-,31-30-,40-37-
HMDB44895	TG(18:0/16:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h21,24-25,27,58H,4-20,22-23,26,28-57H2,1-3H3/b24-21-,27-25-
HMDB07725	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,35,37,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m0/s1
HMDB44894	TG(18:0/16:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-
HMDB07726	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,35,37,45,48H,3-10,15-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m0/s1
HMDB44893	TG(18:0/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,38,41,54H,4-20,22-23,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,33-30-,41-38-
HMDB07727	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35,37,45,48H,3-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t45-/m0/s1
HMDB44892	TG(18:0/16:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,27,54H,4-20,22-23,26,28-53H2,1-3H3/b24-21-,27-25-
HMDB44353	TG(16:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32,34,36-37,39,45,48,58H,4-15,18,21-24,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-
HMDB44891	TG(18:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,52H,4-20,22-23,26,28-51H2,1-3H3/b24-21-,27-25-
HMDB47179	TG(24:0/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,34,36,41,44,58H,4-14,16-17,19-24,26,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,27-25-,36-34-,44-41-
HMDB44890	TG(18:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,52H,4-18,20,23,25-51H2,1-3H3/b22-19-,24-21-
HMDB47178	TG(24:0/14:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,58H,4-14,16-17,19-24,26,28-57H2,1-3H3/b18-15-,27-25-
HMDB35817	gamma-Taraxasterone	CC1C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C	InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-23,25H,9-10,12-18H2,1-8H3
HMDB35816	(-)-beta-Elemene	CC(=C)C1CCC(C)(C=C)C(C1)C(C)=C	InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3
HMDB35815	(+)-Isoborneol	CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2	InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
HMDB35814	Lactucin	CC1=C2C(C3OC(=O)C(=C)C3C(O)C1)C(CO)=CC2=O	InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3
HMDB35813	7-Methylrosmanol	COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C(O)C(O)=C(C=C12)C(C)C	InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3
HMDB35812	Epirosmanol	[H]OC1=C(O[H])C2=C(C([H])=C1C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(O[H])C1([H])OC(=O)C22C([H])([H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C12[H]	InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3
HMDB35811	Shyobunol	CC(C)C1CCC(C)(C=C)C(C1O)C(C)=C	InChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3
HMDB35810	alpha-Selinene	CC(=C)C1CCC2(C)CCC=C(C)C2C1	InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3
HMDB51886	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-30,34,36-37,42,45,51,54,63H,4-7,9-10,12-16,18-19,22-23,27,31-33,35,38-41,43-44,46-50,52-53,55-62H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,37-30-,45-42-,54-51-
HMDB51887	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-7,9-10,12-16,19,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB51884	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,54,57,66H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB51885	TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,37,41,47,50,56,59,68H,4-8,10-11,13-17,19-20,22-24,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-,59-56-
HMDB51882	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8,11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB51883	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,34,36,41,44,63H,4-7,9-10,12-16,18-19,21-24,27,30-33,35,37-40,42-43,45-62H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,44-41-
HMDB35819	(-)-Isoborneol	CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2	InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
HMDB35818	(+)-Borneol	CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2	InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
HMDB44354	TG(16:0/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-
HMDB54348	TG(22:2(13Z,16Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,36,39,58H,4-6,8-9,11-15,18,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-
HMDB54349	TG(22:2(13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30,32,36,39,44,47,58H,4-6,8-9,11-15,18,21-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,47-44-
HMDB54346	TG(22:2(13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,32,34,56H,4-7,9-10,12-15,18,21-23,28-31,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-32-
HMDB07528	DG(20:4(5Z,8Z,11Z,14Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,33,35,45,48H,3-11,13,15-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,20-18-,29-27-,35-33-/t45-/m0/s1
HMDB07529	DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,33,35,45,48H,3-11,13,15-16,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-,35-33-/t45-/m0/s1
HMDB44899	TG(18:0/16:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,54H,4-15,17-18,20,22-23,26,28-29,31-32,34-53H2,1-3H3/b19-16-,24-21-,27-25-,33-30-
HMDB09548	PE(22:2(13Z,16Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,39H,3-9,14-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-/t39-/m1/s1
HMDB09549	PE(22:2(13Z,16Z)/15:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,40H,3-10,12,14-16,19-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-/t40-/m1/s1
HMDB09546	PE(22:1(13Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,37,40,44H,3-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,20-18-,40-37-/t44-/m1/s1
HMDB09547	PE(22:2(13Z,16Z)/14:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,39H,3-10,12,14-15,18-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-/t39-/m1/s1
HMDB09544	PE(22:1(13Z)/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1
HMDB09545	PE(22:1(13Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40,44H,3-13,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,19-17-,40-37-/t44-/m1/s1
HMDB09542	PE(22:1(13Z)/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,49H,3-16,21-48,52H2,1-2H3,(H,55,56)/b19-17-,20-18-/t49-/m1/s1
HMDB07527	DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-4,6,8-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m0/s1
HMDB09540	PE(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,36,38,47H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
HMDB07525	DG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m0/s1
HMDB45766	TG(20:0/20:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,54H,4-14,16-17,19-24,26,28-53H2,1-3H3/b18-15-,27-25-
HMDB45767	TG(20:0/20:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,56H,4-20,22-23,25,27,29-55H2,1-3H3/b24-21-,28-26-
HMDB54343	TG(22:2(13Z,16Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,36,39,44,47,58H,4-15,18,21-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,39-36-,47-44-
HMDB33318	Isoamericanin A	OCC1OC2=CC=C(\C=C/C=O)C=C2OC1C1=CC=C(O)C(O)=C1	InChI=1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1-
HMDB33319	Licarin C	COC1=CC(\C=C/C)=CC2=C1OC(C2C)C1=CC(OC)=C(OC)C(OC)=C1	InChI=1S/C22H26O5/c1-7-8-14-9-16-13(2)20(27-21(16)17(10-14)23-3)15-11-18(24-4)22(26-6)19(12-15)25-5/h7-13,20H,1-6H3/b8-7-
HMDB33316	Garcinone E	CC(C)=CCC1=C(O)C2=C(OC3=C(C2=O)C(CC=C(C)C)=C(O)C(O)=C3CC=C(C)C)C=C1O	InChI=1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3
HMDB33317	(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene	OC1=CC=C(\C=C/C\C=C/C2=CC=CC(O)=C2)C=C1	InChI=1S/C17H16O2/c18-16-11-9-14(10-12-16)5-2-1-3-6-15-7-4-8-17(19)13-15/h2-13,18-19H,1H2/b5-2-,6-3-
HMDB33314	Moracin G	CC1=CCC2=C(OC1)C=CC1=C2OC(=C1)C1=CC(O)=CC(O)=C1	InChI=1S/C19H16O4/c1-11-2-4-16-17(22-10-11)5-3-12-8-18(23-19(12)16)13-6-14(20)9-15(21)7-13/h2-3,5-9,20-21H,4,10H2,1H3
HMDB33315	Moracin H	COC1=CC2=C(CC=C(C)CO2)C2=C1C=C(O2)C1=CC(O)=CC(O)=C1	InChI=1S/C20H18O5/c1-11-3-4-15-19(24-10-11)9-18(23-2)16-8-17(25-20(15)16)12-5-13(21)7-14(22)6-12/h3,5-9,21-22H,4,10H2,1-2H3
HMDB33312	Moracin D	CC1(C)OC2=C(C=C1)C(O)=CC(=C2)C1=CC2=C(O1)C=C(O)C=C2	InChI=1S/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H3
HMDB33313	Moracin E	CC1(C)OC2=C(C=C1)C(=CC(O)=C2)C1=CC2=C(O1)C=C(O)C=C2	InChI=1S/C19H16O4/c1-19(2)6-5-14-15(8-13(21)10-18(14)23-19)17-7-11-3-4-12(20)9-16(11)22-17/h3-10,20-21H,1-2H3
HMDB33310	Moracin C	CC(C)=CCC1=C(O)C=C(C=C1O)C1=CC2=CC=C(O)C=C2O1	InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
HMDB33311	Moracin I	COC1=C(CC=C(C)C)C(=CC(O)=C1)C1=CC2=CC=C(O)C=C2O1	InChI=1S/C20H20O4/c1-12(2)4-7-16-17(9-15(22)11-19(16)23-3)20-8-13-5-6-14(21)10-18(13)24-20/h4-6,8-11,21-22H,7H2,1-3H3
HMDB41102	Kanzonol O	COC1=C2CC(COC2=C(C=O)C(O)=C1)C1=C2OC(C)(C)C=CC2=C(O)C=C1	InChI=1S/C22H22O6/c1-22(2)7-6-14-17(24)5-4-13(21(14)28-22)12-8-15-19(26-3)9-18(25)16(10-23)20(15)27-11-12/h4-7,9-10,12,24-25H,8,11H2,1-3H3
HMDB41103	Persin	CCCCC\C=C/C\C=C/CCCCCCCC(=O)CC(O)COC(C)=O	InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,23,26H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-
HMDB41100	Kanzonol N	COC1=C2CC(COC2=C(C=O)C(O)=C1)C1=CC=C(O)C(CC=C(C)C)=C1O	InChI=1S/C22H24O6/c1-12(2)4-5-15-18(24)7-6-14(21(15)26)13-8-16-20(27-3)9-19(25)17(10-23)22(16)28-11-13/h4,6-7,9-10,13,24-26H,5,8,11H2,1-3H3
HMDB41101	Kanzonol M	COC1=CC=C(C2COC3=C(C=O)C(O)=CC(OC)=C3C2)C(O)=C1CC=C(C)C	InChI=1S/C23H26O6/c1-13(2)5-6-16-20(27-3)8-7-15(22(16)26)14-9-17-21(28-4)10-19(25)18(11-24)23(17)29-12-14/h5,7-8,10-11,14,25-26H,6,9,12H2,1-4H3
HMDB41106	3-Eicosyne	CCCCCCCCCCCCCCCCC#CCC	InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-5,7,9-20H2,1-2H3
HMDB41107	5-Eicosyne	CCCCCCCCCCCCCCC#CCCCC	InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-9,11,13-20H2,1-2H3
HMDB46732	TG(22:0/20:4(5Z,8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,42,45,51,54,66H,4-17,19-20,22-26,28-29,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b21-18-,30-27-,45-42-,54-51-
HMDB41105	6-Methylheptadecane	CCCCCCCCCCCC(C)CCCCC	InChI=1S/C18H38/c1-4-6-8-9-10-11-12-13-15-17-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3
HMDB50683	TG(20:1(11Z)/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,66H,4-16,18-19,21-24,31-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-
HMDB50682	TG(20:1(11Z)/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,64H,4-16,18-19,21-24,31-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-
HMDB41108	9-Icosyne	CCCCCCCCCCC#CCCCCCCCC	InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-17,19H2,1-2H3
HMDB41109	(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione	C\C=C1\NC(=O)C2CCCN2C1=O	InChI=1S/C9H12N2O2/c1-2-6-9(13)11-5-3-4-7(11)8(12)10-6/h2,7H,3-5H2,1H3,(H,10,12)/b6-2+
HMDB46738	TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,38-39,41,45,47-48,50,62H,4-17,19-20,22-25,28,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b21-18-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB46739	TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,64H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-
HMDB50685	TG(20:1(11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,34,40,43,60H,4-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,34-27-,43-40-
HMDB50684	TG(20:1(11Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,35,61H,4-15,17-18,20,22-23,27,31-34,36-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-30-
HMDB42385	TG(14:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,31,34,50H,4-6,8-9,11-15,17-18,20-23,28-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,34-31-
HMDB42384	TG(14:0/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,50H,4-6,8-9,11-15,17-18,20-23,28-49H2,1-3H3/b10-7-,19-16-,26-24-,27-25-
HMDB44357	TG(16:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB42387	TG(14:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,36,39,52H,4-6,8-9,11-15,17-18,20-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,30-29-,39-36-
HMDB42386	TG(14:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,52H,4-6,8-9,11-15,17-18,20-23,27,31-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,30-29-
HMDB42381	TG(14:0/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,30,54H,4-15,17-18,20-23,27-29,31-53H2,1-3H3/b19-16-,26-24-,30-25-
HMDB42380	TG(14:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,36,39,52H,4-15,17-18,20-23,27,31-35,37-38,40-51H2,1-3H3/b19-16-,26-24-,28-25-,30-29-,39-36-
HMDB42383	TG(14:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,32,35,41,44,54H,4-15,17-18,20-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,35-32-,44-41-
HMDB56577	CL(16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,26,28-30,32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB42382	TG(14:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-30,32,35,54H,4-15,17-18,20-23,27,31,33-34,36-53H2,1-3H3/b19-16-,26-24-,29-28-,30-25-,35-32-
HMDB51831	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB56553	CL(16:0/16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,26,29-30,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,31-27-,32-28-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1
HMDB58870	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,65-67,69,71,86-88,93H,5-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-64,68,70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-,69-65-,71-67-/t86?,87-,88-/m1/s1
HMDB51830	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,32,34,36,39,42,44,47,62H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-
HMDB58871	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,65-66,69,86-88,93H,5-9,11-13,15-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-64,67-68,70-85H2,1-4H3,(H,98,99)(H,100,101)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-,69-65-/t86?,87-,88-/m1/s1
HMDB46592	TG(22:0/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,42,45,62H,4-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,29-26-,36-27-,45-42-
HMDB58872	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,42,44-46,48,50,52,54,60,64,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,47,49,51,53,55-59,61-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,52-48-,54-50-,64-60-/t83?,84-,85-/m1/s1
HMDB58873	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-47-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-46,48-49,51-53,55,60-61,64-65,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,47,50,54,56-59,62-63,66-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,52-48-,53-49-,55-51-,64-60-,65-61-/t84?,85-,86-/m1/s1
HMDB58146	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,40,42,45,49-50,54,57,61-62,66,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-44,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB46494	TG(22:0/18:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,35,37,60H,4-16,18-19,22-23,25,27-28,30-34,36,38-59H2,1-3H3/b20-17-,24-21-,29-26-,37-35-
HMDB58690	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58875	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,66,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-65,67-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-/t86?,87-,88-/m1/s1
HMDB32041	1,3-Diphenyl-1-propanone	O=C(CCC1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
HMDB32040	Benzoyl peroxide	O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
HMDB03537	2'-Deoxyinosine triphosphate	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O	InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
HMDB03536	dIDP	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O	InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
HMDB39017	Semi-beta-carotenone	CC(=O)CCCC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C40H56O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13-,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+
HMDB32044	Hexyl 3-methylbutanoate	CCCCCCOC(=O)CC(C)C	InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
HMDB03533	3a,7a,12a-Trihydroxy-5b-cholestan-26-al	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C=O	InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB32046	Isopropyl 3-methylbutanoate	CC(C)CC(=O)OC(C)C	InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3
HMDB32049	Benzophenone	O=C(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
HMDB32048	2,6-Di-tert-butyl-4-hydroxymethylphenol	CC(C)(C)C1=CC(CO)=CC(=C1O)C(C)(C)C	InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
HMDB39019	3-Hydroxy-10'-apo-b,y-carotenal	C\C(\C=C\C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+
HMDB39018	Apo-10'-violaxanthal	C\C(\C=C/C=O)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C	InChI=1S/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14-
HMDB03539	Levan	OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO)(CO[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C18H32O16/c19-1-7-9(23)14(28)18(5-22,33-7)31-2-8-10(24)12(26)16(3-20,32-8)6-30-15-11(25)13(27)17(29,4-21)34-15/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1
HMDB03538	Carbonic acid	OC(O)=O	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
HMDB46490	TG(22:0/18:1(11Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,64H,4-20,22-23,26-27,29-63H2,1-3H3/b24-21-,28-25-
HMDB31224	Nabam	[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S	InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2
HMDB31225	1,2-Ethanediamine	NCCN	InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
HMDB31226	N-Nitroethylenediamine	NCCNN(=O)=O	InChI=1S/C2H7N3O2/c3-1-2-4-5(6)7/h4H,1-3H2
HMDB31227	Marshdimerin	CC(C)(OC1=C2C=C(C(=O)OC2=C(OC2=C3C=C(C(=O)OC3=C(C3=C2C=CC(C)(C)O3)C(C)(C)C=C)C(C)(C)C=C)C2=C1C=CC(C)(C)O2)C(C)(C)C=C)C=C	InChI=1S/C48H54O8/c1-17-43(5,6)31-25-29-34(27-21-23-47(13,14)55-37(27)33(45(9,10)19-3)36(29)52-41(31)49)51-40-38-30(26-32(42(50)53-38)44(7,8)18-2)35(54-46(11,12)20-4)28-22-24-48(15,16)56-39(28)40/h17-26H,1-4H2,5-16H3
HMDB31220	2-Ethylbutanal	CCC(CC)C=O	InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
HMDB31221	2-Ethylbutanoic acid	CCC(CC)C(O)=O	InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
HMDB31222	3-Ethyl-1,2-cyclopentanedione	CCC1CCC(=O)C1=O.CCC1=C(O)C(=O)CC1	InChI=1S/2C7H10O2/c2*1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3;5H,2-4H2,1H3
HMDB31223	Enol-3-Ethyl-1,2-cyclopentanedione	CCC1=C(O)C(=O)CC1	InChI=1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3
HMDB31228	Mosinone A	CCCCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCCCCC(=O)CCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C37H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33(40)35-25-26-36(44-35)34(41)24-17-14-15-20-31(39)21-18-19-22-32-28-30(27-29(2)38)37(42)43-32/h12-13,30,32-36,40-41H,3-11,14-28H2,1-2H3/b13-12-
HMDB31229	Ethyl formate	CCOC=O	InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
HMDB47469	TG(24:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,44,47,53,56,68H,4-17,19-20,22-24,26,29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b21-18-,28-25-,30-27-,47-44-,56-53-
HMDB47468	TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,42,45,51,54,66H,4-17,19-20,22-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b21-18-,29-26-,30-27-,45-42-,54-51-
HMDB30577	1-Oxo-1H-2-benzopyran-3-carboxaldehyde	O=CC1=CC2=CC=CC=C2C(=O)O1	InChI=1S/C10H6O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-6H
HMDB30576	epsilon,gamma-Caroten-3-ol	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C	InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-29,38-39,41H,13,20,30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
HMDB30575	4',5,6,7-Tetramethoxyflavone	COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1	InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
HMDB30574	Occidentoside	OCC1OC(C(O)C(O)C1O)C1=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C(OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)=C1O	InChI=1S/C36H32O15/c37-14-25-29(43)33(47)34(48)35(51-25)28-30(44)27(20(40)10-3-15-1-6-17(38)7-2-15)31(45)36(32(28)46)49-19-8-4-16(5-9-19)23-13-22(42)26-21(41)11-18(39)12-24(26)50-23/h1-12,23,25,29,33-35,37-39,41,43-48H,13-14H2/b10-3+
HMDB30573	Sanshodiol	COC1=CC(=CC=C1O)C1OCC(CC2=CC=C3OCOC3=C2)C1CO	InChI=1S/C20H22O6/c1-23-18-8-13(3-4-16(18)22)20-15(9-21)14(10-24-20)6-12-2-5-17-19(7-12)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3
HMDB30572	()-Anisoxide	C\C=C/C1=CC=C2OC(C)(C)C(C)C2=C1	InChI=1S/C14H18O/c1-5-6-11-7-8-13-12(9-11)10(2)14(3,4)15-13/h5-10H,1-4H3/b6-5-
HMDB30571	(+)-3-(3,4-Methylenedioxyphenyl)-1,2-propanediol	OCC(O)CC1=CC2=C(OCO2)C=C1	InChI=1S/C10H12O4/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,11-12H,3,5-6H2
HMDB30570	Sylvopinol	COC1=CC(O)=CC(CO)=C1	InChI=1S/C8H10O3/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4,9-10H,5H2,1H3
HMDB45915	TG(20:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,35,40-41,43-44,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34,36-39,42,45-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-,44-41-
HMDB45914	TG(20:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32-33,35,40,43,58H,4-6,8-9,11-15,17,20,22-24,26,29-31,34,36-39,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-27-,35-33-,43-40-
HMDB45917	TG(20:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,41-42,45,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-,50-47-
HMDB45916	TG(20:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-
HMDB45911	TG(20:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,41-42,45,47,50,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46,48-49,51-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-,50-47-
HMDB45910	TG(20:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-
HMDB30579	C.I. Natural Red 20	CC(C)=CCC(O)C1=CC(=O)C2=C(O)C=CC(O)=C2C1=O	InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3
HMDB30578	Apigravin	COC1=C2OC(=O)C=CC2=CC(CC=C(C)C)=C1O	InChI=1S/C15H16O4/c1-9(2)4-5-10-8-11-6-7-12(16)19-14(11)15(18-3)13(10)17/h4,6-8,17H,5H2,1-3H3
HMDB32597	4-Hydroxydiphenylamine	OC1=CC=C(NC2=CC=CC=C2)C=C1	InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H
HMDB32596	Glycocholic acid; Na salt	CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C	InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)
HMDB32595	1-(4-Methoxyphenyl)-2-nitroethylene	COC1=CC=C(\C=C\N(=O)=O)C=C1	InChI=1S/C9H9NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7H,1H3/b7-6+
HMDB32594	2-(Hydroxymethyl)benzoic acid	OCC1=C(C=CC=C1)C(O)=O	InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)
HMDB32593	4-(Hydroxymethyl)benzenediazonium(1+)	OCC1=CC=C(C=C1)[N+]#N	InChI=1S/C7H7N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-4,10H,5H2/q+1
HMDB32592	2'-Hydroxy-5'-methylacetophenone	CC(=O)C1=C(O)C=CC(C)=C1	InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3
HMDB32591	Dehydrozingerone	COC1=C(O)C=CC(\C=C/C(C)=O)=C1	InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3-
HMDB32590	Zingerone	COC1=C(O)C=CC(CCC(C)=O)=C1	InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
HMDB32599	3-(4-Hydroxyphenyl)-1-propanol	OCCCC1=CC=C(O)C=C1	InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
HMDB32598	4-Hydroxyphthalide	OC1=C2COC(=O)C2=CC=C1	InChI=1S/C8H6O3/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3,9H,4H2
HMDB55172	TG(18:3(9Z,12Z,15Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30,32,34,40,43,56H,4-6,9,12-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,43-40-
HMDB46596	TG(22:0/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,66H,4-15,17-18,20-24,26,29,31-65H2,1-3H3/b19-16-,28-25-,30-27-
HMDB08624	PC(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,42H,6-12,17-18,21,24,26,28-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
HMDB08625	PC(22:4(7Z,10Z,13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C45H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,43H,6-13,15,17-19,22,25,27,29-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-/t43-/m1/s1
HMDB08626	PC(22:4(7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,27-28,44H,6-13,15,17-19,22,25-26,29-43H2,1-5H3/b16-14-,21-20-,24-23-,28-27-/t44-/m1/s1
HMDB08627	PC(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27-28,44H,6-13,15,18,22,25-26,29-43H2,1-5H3/b16-14-,19-17-,21-20-,24-23-,28-27-/t44-/m1/s1
HMDB08620	PC(22:2(13Z,16Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,40,43,47H,6-13,15,17-19,21,23-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,43-40-
HMDB08621	PC(22:2(13Z,16Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,40,43,47H,6-13,15,18,21,23-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,43-40-
HMDB08622	PC(22:2(13Z,16Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,40,43,47H,6-13,15,17-19,24-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,43-40-
HMDB08623	PC(22:4(7Z,10Z,13Z,16Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,42H,6-13,15,17-18,21,24,26,28-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
HMDB08628	PC(22:4(7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,28,30,46H,6-13,15,17-19,21,23,26-27,29,31-45H2,1-5H3/b16-14-,22-20-,25-24-,30-28-/t46-/m1/s1
HMDB08629	PC(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,28,30,46H,6-13,15,18,21,23,26-27,29,31-45H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,30-28-/t46-/m1/s1
HMDB31480	Heptyl acetate	CCCCCCCOC(C)=O	InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
HMDB31481	xi-3-Heptanol	CCCCC(O)CC	InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
HMDB31482	3-Heptanone	CCCCC(=O)CC	InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
HMDB31483	(Z)-4-Heptenal	CC\C=C/CCC=O	InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
HMDB31484	2-Heptenoic acid	CCCC\C=C\C(O)=O	InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
HMDB31485	Ammonium acetate	[NH4+].CC([O-])=O	InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
HMDB31486	3-Hepten-2-one	CCC\C=C\C(C)=O	InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
HMDB31487	(E)-4-Hepten-2-one	CC\C=C\CC(C)=O	InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+
HMDB31488	2-Hepten-4-one	CCCC(=O)\C=C\C	InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
HMDB31489	1,1,1,3,3,3-Hexachloro-2-propanone	ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl	InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9
HMDB38762	Kaempferol 3-sophoroside 7-(2-feruloylglucoside)	COC1=C(O)C=CC(\C=C/C(=O)OC2C(OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C4=O)=C3)OC(CO)C(O)C2O)=C1	InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)48)3-9-27(50)65-39-34(56)30(52)25(14-45)63-42(39)60-19-11-21(49)28-23(12-19)61-37(17-4-6-18(47)7-5-17)38(32(28)54)66-43-40(35(57)31(53)26(15-46)64-43)67-41-36(58)33(55)29(51)24(13-44)62-41/h2-12,24-26,29-31,33-36,39-49,51-53,55-58H,13-15H2,1H3/b9-3-
HMDB38763	Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside)	COC1=CC(\C=C/C(=O)OC2C(OC3=CC(O)=C4C(OC(C5=CC=C(OC6OC(CO)C(O)C(O)C6O)C=C5)=C(OC5OC(CO)C(O)C(O)C5O)C4=O)=C3)OC(CO)C(O)C2O)=CC=C1O	InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)61-19-11-21(48)28-23(12-19)62-38(39(32(28)53)67-42-37(58)34(55)30(51)25(14-45)64-42)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3-
HMDB38760	Herierin III	CC1=C(CO)C(=O)C=C(CO)O1	InChI=1S/C8H10O4/c1-5-7(4-10)8(11)2-6(3-9)12-5/h2,9-10H,3-4H2,1H3
HMDB38761	Herierin IV	CC(O)C1=COC(CO)=CC1=O	InChI=1S/C8H10O4/c1-5(10)7-4-12-6(3-9)2-8(7)11/h2,4-5,9-10H,3H2,1H3
HMDB38766	2''-O-trans-p-Coumaroylastragalin	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C30H26O13/c31-13-21-24(37)26(39)29(42-22(36)10-3-14-1-6-16(32)7-2-14)30(41-21)43-28-25(38)23-19(35)11-18(34)12-20(23)40-27(28)15-4-8-17(33)9-5-15/h1-12,21,24,26,29-35,37,39H,13H2/b10-3+
HMDB38767	Camelliaside B	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C32H38O19/c1-10-19(37)23(41)26(44)30(47-10)46-9-17-21(39)24(42)29(51-31-25(43)20(38)15(36)8-45-31)32(49-17)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3
HMDB38764	Kaempferol 3-(2-feruloylglucoside) 4',7-diglucoside	COC1=CC(\C=C\C(=O)OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)OC(CO)C(O)C2O)=CC=C1O	InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)67-39-32(53)28-21(48)11-19(61-42-37(58)34(55)30(51)25(14-45)64-42)12-23(28)62-38(39)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3+
HMDB38765	Astragalin; 3''-O-b-Apiofuranosyl, 6''-O-malonyl	OCC1(O)COC(OC2C(O)C(COC(=O)CC(O)=O)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C2O)C1O	InChI=1S/C29H30O18/c30-9-29(41)10-43-28(26(29)40)46-24-20(37)16(8-42-18(36)7-17(34)35)45-27(22(24)39)47-25-21(38)19-14(33)5-13(32)6-15(19)44-23(25)11-1-3-12(31)4-2-11/h1-6,16,20,22,24,26-28,30-33,37,39-41H,7-10H2,(H,34,35)
HMDB38768	Kaempferol 3-(3R-glucosylrutinoside)	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3
HMDB38769	Kaempferol 3-sophoroside 7-glucuronide	OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H38O22/c34-7-14-17(38)20(41)24(45)32(51-14)55-29-22(43)18(39)15(8-35)52-33(29)53-27-19(40)16-12(37)5-11(6-13(16)50-26(27)9-1-3-10(36)4-2-9)49-31-25(46)21(42)23(44)28(54-31)30(47)48/h1-6,14-15,17-18,20-25,28-29,31-39,41-46H,7-8H2,(H,47,48)
HMDB33886	Chondrillasterol 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(C)C	InChI=1S/C41H68O11/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-18-25(14-16-40(24,5)29(26)15-17-41(27,28)6)49-38-36(48)34(46)37(31(20-43)51-38)52-39-35(47)33(45)32(44)30(19-42)50-39/h8-9,11,21-25,27-39,42-48H,7,10,12-20H2,1-6H3/b9-8+
HMDB33887	Chondrillasterol 3-O-[b-D-Glucopyranosyl-(1-&gt;2)-b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)C	InChI=1S/C47H78O16/c1-7-24(22(2)3)9-8-23(4)28-12-13-29-27-11-10-25-18-26(14-16-46(25,5)30(27)15-17-47(28,29)6)58-44-41(38(55)35(52)32(20-49)60-44)63-45-42(39(56)36(53)33(21-50)61-45)62-43-40(57)37(54)34(51)31(19-48)59-43/h8-9,11,22-26,28-45,48-57H,7,10,12-21H2,1-6H3/b9-8+
HMDB33884	Gravolenic acid	CC(C)(O)C1CC2=C(O)C(O)=CC(\C=C/C(O)=O)=C2O1	InChI=1S/C14H16O6/c1-14(2,19)10-6-8-12(18)9(15)5-7(13(8)20-10)3-4-11(16)17/h3-5,10,15,18-19H,6H2,1-2H3,(H,16,17)/b4-3-
HMDB33885	Chondrillasterol	CC[C@H](C(C)C)\C=C\[C@@H](C)[C@H]1CCC2C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26?,27?,28+,29-/m1/s1
HMDB33882	Glycyrol	COC1=C2C3=C(C4=C(O3)C=C(O)C=C4)C(=O)OC2=CC(O)=C1CC=C(C)C	InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3
HMDB33883	3-O-Methylglycyrol	COC1=C(CC=C(C)C)C(OC)=C2C3=C(C4=C(O3)C=C(O)C=C4)C(=O)OC2=C1	InChI=1S/C22H20O6/c1-11(2)5-7-14-15(25-3)10-17-19(20(14)26-4)21-18(22(24)28-17)13-8-6-12(23)9-16(13)27-21/h5-6,8-10,23H,7H2,1-4H3
HMDB33880	Mammea B/AC cyclo D	CCCC(=O)C1=C2OC(C)(C)C=CC2=C2OC(=O)C=C(CCC)C2=C1O	InChI=1S/C21H24O5/c1-5-7-12-11-15(23)25-19-13-9-10-21(3,4)26-20(13)17(14(22)8-6-2)18(24)16(12)19/h9-11,24H,5-8H2,1-4H3
HMDB33881	Mammea C/AB cyclo D	CCCCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)C(C)CC)C(O)=C12	InChI=1S/C24H30O5/c1-6-8-9-10-15-13-17(25)28-22-16-11-12-24(4,5)29-23(16)19(21(27)18(15)22)20(26)14(3)7-2/h11-14,27H,6-10H2,1-5H3
HMDB33888	3-Methyltricosane	CCCCCCCCCCCCCCCCCCCCC(C)CC	InChI=1S/C24H50/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(3)5-2/h24H,4-23H2,1-3H3
HMDB33889	Ethyl butyrate	CCCC(=O)OCC	InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
HMDB59179	CL(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB35066	2',4,4'-Trihydroxy-6'-methoxy-3',5'-diprenylchalcone	COC1=C(CC=C(C)C)C(O)=C(CC=C(C)C)C(O)=C1C(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C26H30O5/c1-16(2)6-13-20-24(29)21(14-7-17(3)4)26(31-5)23(25(20)30)22(28)15-10-18-8-11-19(27)12-9-18/h6-12,15,27,29-30H,13-14H2,1-5H3/b15-10+
HMDB35067	Melleolide L	CC1=C(C(=O)OC2CC3(C)C4C(CC(C)(C)C4O)C=C(C=O)C23O)C(O)=CC(O)=C1Cl	InChI=1S/C23H27ClO7/c1-10-16(13(26)6-14(27)18(10)24)20(29)31-15-8-22(4)17-11(7-21(2,3)19(17)28)5-12(9-25)23(15,22)30/h5-6,9,11,15,17,19,26-28,30H,7-8H2,1-4H3
HMDB35064	Cinncassiol D4	CC(C)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(O)C(C)C42)C13C	InChI=1S/C20H32O5/c1-9(2)11-6-13-16(4)8-19(23)17(11,5)20(13,24)15(25-19)14-10(3)12(21)7-18(14,16)22/h9-15,21-24H,6-8H2,1-5H3
HMDB35065	Cinncassiol D4; 2-O-b-D-Glucopyranoside	CC(C)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(OC5OC(CO)C(O)C(O)C5O)C(C)C42)C13C	InChI=1S/C26H42O10/c1-10(2)12-6-15-22(4)9-25(32)23(12,5)26(15,33)20(36-25)16-11(3)13(7-24(16,22)31)34-21-19(30)18(29)17(28)14(8-27)35-21/h10-21,27-33H,6-9H2,1-5H3
HMDB35062	Arnamiol	COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)=C23)C(C)=C1Cl	InChI=1S/C24H31ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,12,14,17,21,26-28H,7-10H2,1-5H3
HMDB30688	Cyclomulberrin	CC(C)=CCC1=C2OC3=C(C(OC4=CC(O)=CC=C34)C=C(C)C)C(=O)C2=C(O)C=C1O	InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3
HMDB35060	Hovenoside G	CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1	InChI=1S/C51H82O21/c1-22(2)14-23-15-49(7,62)41-24-8-9-30-47(5)12-11-31(46(3,4)29(47)10-13-48(30,6)50(24)20-51(41,72-23)66-21-50)68-44-40(71-43-37(61)33(57)26(54)18-64-43)38(27(55)19-65-44)69-45-39(35(59)34(58)28(16-52)67-45)70-42-36(60)32(56)25(53)17-63-42/h14,23-45,52-62H,8-13,15-21H2,1-7H3
HMDB30685	Cycloheterophyllin	CC(C)=CCC1=C2OC3=C(C(OC4=CC(O)=C(O)C=C34)C=C(C)C)C(=O)C2=C(O)C2=C1OC(C)(C)C=C2	InChI=1S/C30H30O7/c1-14(2)7-8-17-27-16(9-10-30(5,6)37-27)25(33)24-26(34)23-22(11-15(3)4)35-21-13-20(32)19(31)12-18(21)29(23)36-28(17)24/h7,9-13,22,31-33H,8H2,1-6H3
HMDB30684	Cyanidin 3-glucoside	OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
HMDB30687	Cyclomorusin	CC(C)=CC1OC2=CC(O)=CC=C2C2=C1C(=O)C1=C(O)C=C3OC(C)(C)C=CC3=C1O2	InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3
HMDB30686	Cyclointegrin	COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C1=CC=C(O)C=C1OC(C)(C)CC3	InChI=1S/C21H20O6/c1-21(2)7-6-14-19(24)18-15(23)9-12(25-3)10-17(18)26-20(14)13-5-4-11(22)8-16(13)27-21/h4-5,8-10,22-23H,6-7H2,1-3H3
HMDB30681	5-Deoxydiplosporin	CCC1CCC2=C(C1)C(=O)C(CO)=CO2	InChI=1S/C12H16O3/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h7-8,13H,2-6H2,1H3
HMDB30680	Diplosporin	CCC1CCC2=C(C1O)C(=O)C(CO)=CO2	InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3
HMDB30683	6-Hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid, 9CI; Di-Na salt	[Na+].[Na+].OC1=CC=C2C=C(C=CC2=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O	InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/b18-17+;;
HMDB35069	Trifolin; 2''-O-[b-D-Glucopyranosyl-(1-&gt;3)-a-L-rhamnopyranosyl], 6''-O-rhamnopyranosyl	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C39H50O24/c1-11-21(44)26(49)29(52)36(56-11)55-10-19-24(47)28(51)35(63-38-31(54)33(22(45)12(2)57-38)61-37-30(53)27(50)23(46)18(9-40)59-37)39(60-19)62-34-25(48)20-16(43)7-15(42)8-17(20)58-32(34)13-3-5-14(41)6-4-13/h3-8,11-12,18-19,21-24,26-31,33,35-47,49-54H,9-10H2,1-2H3
HMDB08080	PC(18:1(11Z)/20:3(8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,44H,6-13,15,18,21,23-24,26,28-43H2,1-5H3/b16-14-,19-17-,22-20-,27-25-/t44-/m1/s1
HMDB08081	PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,31,33,44H,6-13,15,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,33-31-/t44-/m1/s1
HMDB08082	PC(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,44H,6-7,9,11-13,15,18,21,23-24,26,28-43H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-/t44-/m1/s1
HMDB08083	PC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,31,33,44H,6-7,9,11-13,15,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-,33-31-/t44-/m1/s1
HMDB08084	PC(18:1(11Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h17,19,46H,6-16,18,20-45H2,1-5H3/b19-17-/t46-/m1/s1
HMDB08085	PC(18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h17,19-20,22,46H,6-16,18,21,23-45H2,1-5H3/b19-17-,22-20-/t46-/m1/s1
HMDB08086	PC(18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,46H,6-13,15,18,21,23-45H2,1-5H3/b16-14-,19-17-,22-20-/t46-/m1/s1
HMDB08087	PC(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,29,31,46H,6-13,15,18,21,23,26-28,30,32-45H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,31-29-/t46-/m1/s1
HMDB08088	PC(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,29,31,35,37,46H,6-13,15,18,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
HMDB08089	PC(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,29,31,46H,6-7,9,11-13,15,18,21,23,26-28,30,32-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,31-29-/t46-/m1/s1
HMDB58137	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,47,51,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB58136	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-38,40-41,44,47,51,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB58131	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,40-41,44,47,51,59,63,80-82,87H,5-20,22-24,29,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB58130	CL(18:1(11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-39,43-45,47,49,55,57,59,61,80-82,87H,5-20,23-24,29-30,35-36,40-42,46,48,50-54,56,58,60,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,47-44-,49-45-,59-55-,61-57-/t80?,81-,82-/m1/s1
HMDB58133	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,29,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58132	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-41,43-44,47,51,59,63,80-82,87H,5-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB41920	loxoprofen	CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1	InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
HMDB41921	mandrax	Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1.CC1=CC=CC=C1N1C(C)=NC2=CC=CC=C2C1=O	InChI=1S/C17H21NO.C16H14N2O.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;/h3-12,17H,13-14H2,1-2H3;3-10H,1-2H3;1H
HMDB41922	melamine	N=C1NC(=N)NC(=N)N1	InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
HMDB41923	mephedrone	CNC(C)C(=O)C1=CC=C(C)C=C1	InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
HMDB41924	mesitylene	CC1=CC(C)=CC(C)=C1	InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
HMDB41925	metandienone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
HMDB41927	methcathinone	CNC(C)C(=O)C1=CC=CC=C1	InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
HMDB41928	methenolone	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)C=C(C)[C@]4(C)[C@@]3([H])CC[C@]12C	InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1
HMDB41929	methoxyacetic acid	COCC(O)=O	InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
HMDB09977	PIP(18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h17-19,21,39,42-47,50-53H,3-16,20,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b19-17-,21-18-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09976	PIP(18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h12,14,17-20,37,40-45,48-51H,3-11,13,15-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b14-12-,19-17-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB44345	TG(16:0/20:3n6/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,39,60H,4-16,18-19,21-24,29-35,37-38,40-59H2,1-3H3/b20-17-,27-25-,28-26-,39-36-
HMDB09974	PIP(18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-20,37,40-45,48-51H,3-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b19-17-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09973	PIP(18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h14,16-17,19,37,40-45,48-51H,3-13,15,18,20-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b16-14-,19-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09972	PIP(18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17,19,37,40-45,48-51H,3-16,18,20-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b19-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09971	PIP(18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h14,16-18,35,38-43,46-49H,3-13,15,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b16-14-,18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09970	PIP(18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h17-18,35,38-43,46-49H,3-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09979	PIP(18:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-19,21-22,24,39,42-47,50-53H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09978	PIP(18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h17-19,21-22,24,28,30,39,42-47,50-53H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB58683	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,54-56,58-60,67-68,71-72,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58682	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,54-56,58-60,67,71,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-53,57,61-66,68-70,72-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,71-67-/t87?,88-,89-/m1/s1
HMDB58681	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,43-49,54-56,58-60,67-68,71-72,87-89,94H,5-8,11-12,15-20,24,28-32,40-42,50-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58680	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58687	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58686	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58685	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58684	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB58689	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB58688	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB15204	Mequitazine	C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12	InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2
HMDB15205	Atazanavir	COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C	InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
HMDB15206	Fludarabine	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]3O)C2=NC(F)=N1	InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1
HMDB15207	Perhexiline	C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1	InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
HMDB15200	Glipizide	CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1	InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)
HMDB15201	Clonazepam	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1	InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
HMDB15202	Promethazine	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C	InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
HMDB15203	Dihydrotachysterol	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C	InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1
HMDB55724	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,32,34,40,43,57H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-56H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,43-40-
HMDB44014	TG(16:0/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,44,47,60H,4-16,18-19,21-25,27,29-34,36-37,39-43,45-46,48-59H2,1-3H3/b20-17-,28-26-,38-35-,47-44-
HMDB05923	N4-Acetylcytidine	CC(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1
HMDB32869	3',4',5,7,8-Pentamethoxyflavanone	COC1=CC=C(C=C1OC)C1CC(=O)C2=C(O1)C(OC)=C(OC)C=C2OC	InChI=1S/C20H22O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-8,10,14H,9H2,1-5H3
HMDB32868	Triacontanal	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O	InChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h30H,2-29H2,1H3
HMDB32867	Capillin	CC#CC#CC(=O)C1=CC=CC=C1	InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
HMDB32866	2,4,5,6-Phenanthrenetetrol	OC1=CC2=C(C(O)=C1)C1=C(C=CC(O)=C1O)C=C2	InChI=1S/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H
HMDB32865	N-Phenyl-2-naphthylamine	N(C1=CC=CC=C1)C1=CC2=C(C=CC=C2)C=C1	InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H
HMDB32864	Mycotoxin T 2	CCOC(=O)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1	InChI=1S/C16H23NO7/c1-3-22-16(21)17-8-10-4-6-11(7-5-10)24-15-14(20)13(19)12(18)9(2)23-15/h4-7,9,12-15,18-20H,3,8H2,1-2H3,(H,17,21)
HMDB32863	(3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol	CC(C)C(C)\C=C\C(C)C1CCC2=C3C(O)C4OC44CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+
HMDB32862	2-Amino-4-ethoxy-3-hydroxybutanoic acid	CCOCC(O)C(N)C(O)=O	InChI=1S/C6H13NO4/c1-2-11-3-4(8)5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)
HMDB32861	2-Methoxynaphthalene	COC1=CC2=C(C=CC=C2)C=C1	InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
HMDB32860	1-Methylnaphthalene	CC1=CC=CC2=C1C=CC=C2	InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
HMDB44012	TG(16:0/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,59H,4-13,15-16,18-22,24-25,27-58H2,1-3H3/b17-14-,26-23-
HMDB09029	PE(18:1(11Z)/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,39H,3-5,7,9-11,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,15-13-,20-18-/t39-/m1/s1
HMDB09028	PE(18:1(11Z)/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,39H,3-11,16-17,19,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b14-12-,15-13-,20-18-,26-24-/t39-/m1/s1
HMDB09021	PE(18:1(11Z)/15:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h13,15,36H,3-12,14,16-35,39H2,1-2H3,(H,42,43)/b15-13-/t36-/m1/s1
HMDB09020	PE(18:1(11Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12-13,15,35H,3-9,11,14,16-34,38H2,1-2H3,(H,41,42)/b12-10-,15-13-/t35-/m1/s1
HMDB09023	PE(18:1(11Z)/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36,40H2,1-2H3,(H,43,44)/b15-13-,16-14-/t37-/m1/s1
HMDB09022	PE(18:1(11Z)/16:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37H,3-12,14,16-36,40H2,1-2H3,(H,43,44)/b15-13-/t37-/m1/s1
HMDB09025	PE(18:1(11Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38,42H2,1-2H3,(H,45,46)/b15-13-,16-14-/t39-/m1/s1
HMDB09024	PE(18:1(11Z)/18:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39H,3-12,14,16-38,42H2,1-2H3,(H,45,46)/b15-13-/t39-/m1/s1
HMDB09027	PE(18:1(11Z)/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39H,3-11,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b14-12-,15-13-,20-18-/t39-/m1/s1
HMDB09026	PE(18:1(11Z)/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,39H,3-12,14,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b15-13-,20-18-/t39-/m1/s1
HMDB37338	Americanin B	OCC1OC2=CC=C(\C=C\C=O)C=C2OC1C1=CC=C2OC(C(CO)OC2=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C27H24O9/c28-9-1-2-15-3-7-20-22(10-15)36-27(24(13-29)33-20)17-5-8-21-23(12-17)34-25(14-30)26(35-21)16-4-6-18(31)19(32)11-16/h1-12,24-27,29-32H,13-14H2/b2-1+
HMDB37339	Luteolin 7-methyl ether	COC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
HMDB37330	3',5,6-Trimethoxyflavone	COC1=CC=CC(=C1)C1=CC(=O)C2=C(OC)C(OC)=CC=C2O1	InChI=1S/C18H16O5/c1-20-12-6-4-5-11(9-12)16-10-13(19)17-14(23-16)7-8-15(21-2)18(17)22-3/h4-10H,1-3H3
HMDB37331	2',5,6-Trimethoxyflavone	COC1=CC=C2OC(=CC(=O)C2=C1OC)C1=CC=CC=C1OC	InChI=1S/C18H16O5/c1-20-13-7-5-4-6-11(13)16-10-12(19)17-14(23-16)8-9-15(21-2)18(17)22-3/h4-10H,1-3H3
HMDB37332	8-Hydroxyluteolin 4'-methyl ether 8-glucoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2O1	InChI=1S/C22H22O12/c1-31-13-3-2-8(4-9(13)24)14-6-11(26)16-10(25)5-12(27)20(21(16)32-14)34-22-19(30)18(29)17(28)15(7-23)33-22/h2-6,15,17-19,22-25,27-30H,7H2,1H3
HMDB37333	8-Hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate	COC1=C(OS(O)(=O)=O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2O1	InChI=1S/C22H22O15S/c1-33-12-3-2-8(4-14(12)37-38(30,31)32)13-6-10(25)16-9(24)5-11(26)20(21(16)34-13)36-22-19(29)18(28)17(27)15(7-23)35-22/h2-6,15,17-19,22-24,26-29H,7H2,1H3,(H,30,31,32)
HMDB37334	Majoranin	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(O)=C(OC)C(OC)=C2O1	InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3
HMDB37335	Sudachitin	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1	InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3
HMDB37336	Sudachiin A	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1	InChI=1S/C24H26O13/c1-32-13-6-9(4-5-11(13)36-24-19(30)18(29)16(27)14(8-25)37-24)12-7-10(26)15-17(28)22(33-2)20(31)23(34-3)21(15)35-12/h4-7,14,16,18-19,24-25,27-31H,8H2,1-3H3
HMDB37337	4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 4'-O-b-D-Glucopyranoside, 7-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC(=O)CC(C)(O)CC(O)=O)C(OC)=C2O1	InChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)
HMDB48055	TG(14:1(9Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,32,37,40,56H,4-14,16,19,21-23,27-31,33-36,38-39,41-55H2,1-3H3/b18-15-,20-17-,26-24-,32-25-,40-37-
HMDB45128	TG(18:0/20:2n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,57H,4-13,15-16,18-22,24-25,27-56H2,1-3H3/b17-14-,26-23-
HMDB45129	TG(18:0/20:2n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,59H,4-13,15-16,18-22,24-25,27-58H2,1-3H3/b17-14-,26-23-
HMDB45124	TG(18:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30-31,33,36,39-40,43,58H,4-6,8-9,11-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-
HMDB45125	TG(18:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-6,8-9,11-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-
HMDB45126	TG(18:0/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,55H,4-17,19-20,22-26,28-29,31-35,37-38,40-54H2,1-3H3/b21-18-,30-27-,39-36-
HMDB45127	TG(18:0/20:2n6/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,22,25,55H,4-12,14-15,17-21,23-24,26-54H2,1-3H3/b16-13-,25-22-
HMDB45120	TG(18:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,36,39,54H,4-6,8-9,11-15,17,20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,39-36-
HMDB45121	TG(18:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,54H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-53H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-
HMDB45122	TG(18:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31-32,34,38,41,56H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-
HMDB45123	TG(18:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31-32,34,38,40-41,43,56H,4-6,8-9,11-15,17,20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB29708	5,6,7,8-Tetrahydro-2,4-dimethylquinoline	CC1=NC2=C(CCCC2)C(C)=C1	InChI=1S/C11H15N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7H,3-6H2,1-2H3
HMDB29709	5,6,7,8-Tetrahydro-4-methylquinoline	CC1=CC=NC2=C1CCCC2	InChI=1S/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h6-7H,2-5H2,1H3
HMDB29706	2-Amino-3-methylimidazo[4,5-f]quinoline	CN1C(N)=NC2=C1C=CC1=NC=CC=C21	InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
HMDB29707	2-Amino-3,4-dimethylimidazo[4,5-f]quinoline	CN1C(N)=NC2=C1C(C)=CC1=C2C=CC=N1	InChI=1S/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15)
HMDB29704	1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one	CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C	InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+
HMDB29702	Erythrosine	OC(=O)C1=CC=CC=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C1C=C(I)C(O)=C2I.OC1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=CC(I)=C(O)C(I)=C1O2	InChI=1S/2C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25-26H;1-6,25H,(H,27,28)
HMDB29703	Methyl 2-aminobenzoate	COC(=O)C1=CC=CC=C1N	InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
HMDB29700	3-Phenyl-2-propen-1-ol, 9CI; (E)-form, Benzoyl	O=C(OC\C=C\C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
HMDB29701	2-Methyloctacosane	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C	InChI=1S/C29H60/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)3/h29H,4-28H2,1-3H3
HMDB54359	TG(22:2(13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,37,40,45,48,59H,4-6,8-9,11-15,18,21-24,29-30,32,34-36,38-39,41-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-37-,48-45-
HMDB58728	CL(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,42-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB59262	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-34,37-38,41-44,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,35-36,39-40,45-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB42369	TG(14:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23-25,48H,4-19,21-22,26-47H2,1-3H3/b23-20-,25-24-
HMDB42368	TG(14:0/18:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14,17,23-24,46H,4-13,15-16,18-22,25-45H2,1-3H3/b17-14-,24-23-
HMDB42367	TG(14:0/18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h25,32,56H,4-24,26-31,33-55H2,1-3H3/b32-25-
HMDB42366	TG(14:0/18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h25,30,54H,4-24,26-29,31-53H2,1-3H3/b30-25-
HMDB42365	TG(14:0/18:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h25,28,52H,4-24,26-27,29-51H2,1-3H3/b28-25-
HMDB42364	TG(14:0/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h25,27,50H,4-24,26,28-49H2,1-3H3/b27-25-
HMDB42363	TG(14:0/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h24-25,48H,4-23,26-47H2,1-3H3/b25-24-
HMDB42362	TG(14:0/18:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h24-25,47H,4-23,26-46H2,1-3H3/b25-24-
HMDB42361	TG(14:0/18:1(9Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h23-24,46H,4-22,25-45H2,1-3H3/b24-23-
HMDB42360	TG(14:0/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB59261	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-37,40-43,48-49,51-52,60,64,81-83,88H,5-8,10-12,14-20,23-24,28-30,32,35,38-39,44-47,50,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,64-60-/t81?,82-,83-/m1/s1
HMDB46479	TG(22:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-31-,40-38-,49-46-
HMDB46478	TG(22:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,33,38,40,60H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,33-31-,40-38-
HMDB46477	TG(22:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,41,44,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,44-41-
HMDB46476	TG(22:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,58H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-
HMDB46475	TG(22:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,36,39,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-,39-36-
HMDB46474	TG(22:0/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,31,56H,4-7,9-10,12-16,18-19,22-23,25,27-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,31-26-
HMDB46473	TG(22:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,33,38,40,46,49,60H,4-15,17-18,20,22-23,26,28-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,24-21-,27-25-,33-31-,40-38-,49-46-
HMDB46472	TG(22:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,33,38,40,60H,4-15,17-18,20,22-23,26,28-30,32,34-37,39,41-59H2,1-3H3/b19-16-,24-21-,27-25-,33-31-,40-38-
HMDB46471	TG(22:0/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,60H,4-15,17-18,20,22-23,26,28-59H2,1-3H3/b19-16-,24-21-,27-25-
HMDB46470	TG(22:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,41,44,58H,4-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b20-17-,24-21-,28-26-,36-33-,44-41-
HMDB46239	TG(20:0/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,33,36,42,45,59H,4-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b28-25-,36-33-,45-42-
HMDB59264	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-38,41-44,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB59265	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,41-45,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,36,39-40,46-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB13318	Tryptophanamide	NC(CC1=CNC2=CC=CC=C12)C(N)=O	InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)
HMDB13319	Tyrosinamide	NC(CC1=CC=C(O)C=C1)C(N)=O	InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)
HMDB13314	Tricosanoylglycine	CCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C25H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)26-23-25(28)29/h2-23H2,1H3,(H,26,27)(H,28,29)
HMDB13316	Tridecanol	CCCCCCCCCCCCCO	InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
HMDB13317	Tridecanoylglycine	CCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
HMDB13310	Tetracosanoylglycine	CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28)27-24-26(29)30/h2-24H2,1H3,(H,27,28)(H,29,30)
HMDB13311	trans-2-Hexenedioic acid	OC(=O)CC\C=C\C(O)=O	InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+
HMDB13312	trans-3-Octenedioic acid	OC(=O)CCC\C=C\CC(O)=O	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1,3H,2,4-6H2,(H,9,10)(H,11,12)/b3-1+
HMDB10654	PG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,41-42,45-46H,3-10,15-16,20,23,25-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-/t41-,42+/m0/s1
HMDB10655	PG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,41-42,45-46H,3-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB10656	PG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,43-44,47-48H,3-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB10657	PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,32,34,43-44,47-48H,3-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB10650	PG(18:2(9Z,12Z)/18:2(9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,39-40,43-44H,3-10,15-16,21-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB10651	PG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,39-40,43-44H,3-10,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1
HMDB10652	PG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,39-40,43-44H,3-5,7,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB10653	PG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24,28,30,41-42,45-46H,3-11,13,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB10658	PG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,43-44,47-48H,3-4,6,8-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB10659	PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H75O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,43-44,47-48H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB48466	TG(16:1(9Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,51H,4-12,14-15,17-19,21,24,26-50H2,1-3H3/b16-13-,23-20-,25-22-
HMDB48464	TG(16:1(9Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h19-20,22-23,26-27,51H,4-18,21,24-25,28-50H2,1-3H3/b22-19-,23-20-,27-26-
HMDB48465	TG(16:1(9Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,31,34,50H,4-15,17-18,21-22,24,27-30,32-33,35-49H2,1-3H3/b19-16-,23-20-,26-25-,34-31-
HMDB48462	TG(16:1(9Z)/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20,23,25-26,54H,4-19,21-22,24,27-53H2,1-3H3/b23-20-,26-25-
HMDB48463	TG(16:1(9Z)/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20,23,25-26,56H,4-19,21-22,24,27-55H2,1-3H3/b23-20-,26-25-
HMDB48460	TG(16:1(9Z)/16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,52H,4-19,21-22,24,27-51H2,1-3H3/b23-20-,26-25-
HMDB30566	Neoconvallatoxoloside	CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C35H54O15/c1-16-24(39)27(42)29(50-30-28(43)26(41)25(40)22(13-36)49-30)31(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,16,18-22,24-31,36-37,39-45H,3-10,12-15H2,1-2H3
HMDB48461	TG(16:1(9Z)/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,31,36,39,52H,4-19,21-22,24,27,29-30,32-35,37-38,40-51H2,1-3H3/b23-20-,26-25-,31-28-,39-36-
HMDB03733	Resolvin D1	CC\C=C/C[C@H](O)\C=C\C=C/C=C/C=C/C(O)[C@@H](O)C\C=C/CCC(O)=O	InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20?,21-/m0/s1
HMDB44828	TG(18:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,43-40-,52-49-
HMDB44829	TG(18:0/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h59H,4-58H2,1-3H3
HMDB55002	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,41-42,44-45,51,54,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-40,43,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,54-51-
HMDB49337	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-15,17-18,20,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB55003	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-
HMDB55000	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,39-40,43,49,52,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,41-42,44-48,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,52-49-
HMDB44822	TG(18:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,40,43,49,52,62H,4-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,34-32-,43-40-,52-49-
HMDB55001	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,39-40,43,45,48-49,52,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB44823	TG(18:0/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,32,58H,4-7,9-10,12-16,18-19,21-25,27-31,33-57H2,1-3H3/b11-8-,20-17-,32-26-
HMDB55006	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB44820	TG(18:0/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-
HMDB55007	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-8,10-11,13-15,17,20,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB04702	12,13-EpOME	CCCCCC1OC1C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-
HMDB04701	9,10-Epoxyoctadecenoic acid	CCCCC\C=C/CC1OC1CCCCCCCC(O)=O	InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
HMDB44821	TG(18:0/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,32,34,40,43,62H,4-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,34-32-,43-40-
HMDB04706	8(R)-Hydroperoxylinoleic acid	CCCCC\C=C/C\C=C/[C@@H](CCCCCCC(O)=O)OO	InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1
HMDB04705	12,13-DHOME	CCCCCC(O)C(O)C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-
HMDB04704	9,10-DHOME	CCCCC\C=C/CC(O)C(O)CCCCCCCC(O)=O	InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-
HMDB44826	TG(18:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-
HMDB04708	9,12,13-TriHOME	CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O	InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1
HMDB44827	TG(18:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,40,43,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,43-40-
HMDB14935	Tolazoline	C(C1=NCCN1)C1=CC=CC=C1	InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
HMDB00412	3b,17a-Dihydroxy-5a-androstane	C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@H]2O	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17+,18-,19-/m0/s1
HMDB00411	3a,12b-Dihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21-,23+,24-/m1/s1
HMDB14936	Gentamicin	CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1	InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3
HMDB14931	Haloprogin	ClC1=CC(Cl)=C(Cl)C=C1OCC#CI	InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2
HMDB14930	Tripelennamine	CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1	InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
HMDB00415	3a,6b,7b-Trihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1
HMDB00414	1b,3a,7a-Trihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)C[C@@H](O)[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20-,22+,23-,24+/m1/s1
HMDB00419	3b,7a,12a-Trihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
HMDB00418	18-Hydroxycortisol	[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m0/s1
HMDB14939	Halazepam	FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1	InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2
HMDB14938	Fenoldopam	OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12	InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
HMDB39120	Crocetin; (all-E)-form, Mono-b-D-glucopyranosyl ester	C\C(\C=C\C=C(\C)C(O)=O)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10-,18-13-,19-14+
HMDB59213	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,42-45,47,50-51,54-55,62-63,66-67,84-86,91H,5-20,23-24,28-30,32,35-36,40-41,46,48-49,52-53,56-61,64-65,68-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-,66-62-,67-63-/t84?,85-,86-/m1/s1
HMDB57718	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,62-63,66,83-85,90H,5-9,11-13,15-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-61,64-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-/t83?,84-,85-/m1/s1
HMDB57719	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40,42,45-46,48,54,58,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,41,43-44,47,49-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-/t77?,78-,79-/m1/s1
HMDB11269	PC(P-18:1(11Z)/14:0)	CCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h16,18,32,35,39H,6-15,17,19-31,33-34,36-38H2,1-5H3/b18-16-,35-32-/t39-/m1/s1
HMDB11264	PC(P-18:0/24:1(15Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h20,22,42,45,49H,6-19,21,23-41,43-44,46-48H2,1-5H3/b22-20-,45-42-/t49-/m1/s1
HMDB11262	PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
HMDB11263	PC(P-18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h42,45,49H,6-41,43-44,46-48H2,1-5H3/b45-42-/t49-/m1/s1
HMDB11260	PC(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,37-35-,43-40-
HMDB11261	PC(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,43-40-
HMDB57713	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-38,40,43-45,48-50,54,56-57,60-61,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,46-47,51-53,55,58-59,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-/t81?,82-,83-/m1/s1
HMDB57714	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-38,40,43-45,48-50,54,56-57,60-62,66,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,46-47,51-53,55,58-59,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB57715	CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-20,23-24,29-30,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1
HMDB48862	TG(16:1(9Z)/22:2(13Z,16Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,57H,4-13,15,18,20,22,28-56H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-
HMDB05073	Leukotriene B5	CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
HMDB48860	TG(16:1(9Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,32,57H,4-15,17-18,22,26,29-31,33-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,32-28-
HMDB48861	TG(16:1(9Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,31,37,40,56H,4-15,18,22-23,28-30,32-36,38-39,41-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,31-26-,40-37-
HMDB05076	13,14-Dihydro PGF-1a	CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O	InChI=1S/C20H38O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-19,21-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1
HMDB05077	8-iso-15-keto-PGF2a	CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,18-,19+/m0/s1
HMDB48864	TG(16:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,42,45,58H,4-15,18,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,45-42-
HMDB48865	TG(16:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,60H,4-15,18,22-23,29-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-
HMDB48868	TG(16:1(9Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,31,56H,4-7,9-10,12-15,18,22-23,28-30,32-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,31-26-
HMDB05079	15-Deoxy-d-12,14-PGJ2	CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O	InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
HMDB48808	TG(16:1(9Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-25,54H,4-12,14-15,17-20,23,26-53H2,1-3H3/b16-13-,24-21-,25-22-
HMDB55174	TG(18:3(9Z,12Z,15Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-32,36,39,45,48,58H,4-6,9,12-15,18,21-24,27,29,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,48-45-
HMDB11888	Ganglioside GM1 (d18:0/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C82H150N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-62(95)84-54(55(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)50-106-78-70(102)68(100)73(60(48-88)109-78)112-80-71(103)76(115-82(81(104)105)44-56(93)63(83-52(4)91)75(114-82)64(96)57(94)45-85)74(61(49-89)110-80)113-77-53(43-51(3)90)72(66(98)59(47-87)107-77)111-79-69(101)67(99)65(97)58(46-86)108-79/h53-61,63-80,85-89,92-94,96-103H,5-50H2,1-4H3,(H,83,91)(H,84,95)(H,104,105)/t53-,54+,55-,56+,57-,58-,59-,60-,61-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72-,73-,74+,75?,76-,77+,78-,79+,80+,82+/m1/s1
HMDB11889	Ganglioside GM1 (d18:0/26:1(17Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H148N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-62(95)84-54(55(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)50-106-78-70(102)68(100)73(60(48-88)109-78)112-80-71(103)76(115-82(81(104)105)44-56(93)63(83-52(4)91)75(114-82)64(96)57(94)45-85)74(61(49-89)110-80)113-77-53(43-51(3)90)72(66(98)59(47-87)107-77)111-79-69(101)67(99)65(97)58(46-86)108-79/h19-20,53-61,63-80,85-89,92-94,96-103H,5-18,21-50H2,1-4H3,(H,83,91)(H,84,95)(H,104,105)/b20-19-/t53-,54+,55-,56+,57-,58-,59-,60-,61-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72-,73-,74+,75?,76-,77+,78-,79+,80+,82+/m1/s1
HMDB11882	Ganglioside GM1 (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C78H142N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(91)80-50(51(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)46-102-74-66(98)64(96)69(56(44-84)105-74)108-76-67(99)72(111-78(77(100)101)40-52(89)59(79-48(4)87)71(110-78)60(92)53(90)41-81)70(57(45-85)106-76)109-73-49(39-47(3)86)68(62(94)55(43-83)103-73)107-75-65(97)63(95)61(93)54(42-82)104-75/h49-57,59-76,81-85,88-90,92-99H,5-46H2,1-4H3,(H,79,87)(H,80,91)(H,100,101)/t49-,50+,51-,52+,53-,54-,55-,56-,57-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71?,72-,73+,74-,75+,76+,78+/m1/s1
HMDB11883	Ganglioside GM1 (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C78H140N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(91)80-50(51(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)46-102-74-66(98)64(96)69(56(44-84)105-74)108-76-67(99)72(111-78(77(100)101)40-52(89)59(79-48(4)87)71(110-78)60(92)53(90)41-81)70(57(45-85)106-76)109-73-49(39-47(3)86)68(62(94)55(43-83)103-73)107-75-65(97)63(95)61(93)54(42-82)104-75/h19-20,49-57,59-76,81-85,88-90,92-99H,5-18,21-46H2,1-4H3,(H,79,87)(H,80,91)(H,100,101)/b20-19-/t49-,50+,51-,52+,53-,54-,55-,56-,57-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71?,72-,73+,74-,75+,76+,78+/m1/s1
HMDB11880	Ganglioside GM1 (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C74H132N2O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)76-46(47(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-98-70-62(94)60(92)65(52(40-80)101-70)104-72-63(95)68(107-74(73(96)97)36-48(85)55(75-44(4)83)67(106-74)56(88)49(86)37-77)66(53(41-81)102-72)105-69-45(35-43(3)82)64(58(90)51(39-79)99-69)103-71-61(93)59(91)57(89)50(38-78)100-71/h19-20,45-53,55-72,77-81,84-86,88-95H,5-18,21-42H2,1-4H3,(H,75,83)(H,76,87)(H,96,97)/b20-19-/t45-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67?,68-,69+,70-,71+,72+,74+/m1/s1
HMDB11881	Ganglioside GM1 (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C76H138N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-56(89)78-48(49(86)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)44-100-72-64(96)62(94)67(54(42-82)103-72)106-74-65(97)70(109-76(75(98)99)38-50(87)57(77-46(4)85)69(108-76)58(90)51(88)39-79)68(55(43-83)104-74)107-71-47(37-45(3)84)66(60(92)53(41-81)101-71)105-73-63(95)61(93)59(91)52(40-80)102-73/h47-55,57-74,79-83,86-88,90-97H,5-44H2,1-4H3,(H,77,85)(H,78,89)(H,98,99)/t47-,48+,49-,50+,51-,52-,53-,54-,55-,57-,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,68+,69?,70-,71+,72-,73+,74+,76+/m1/s1
HMDB11886	Ganglioside GM1 (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C80H144N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(93)82-52(53(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)48-104-76-68(100)66(98)71(58(46-86)107-76)110-78-69(101)74(113-80(79(102)103)42-54(91)61(81-50(4)89)73(112-80)62(94)55(92)43-83)72(59(47-87)108-78)111-75-51(41-49(3)88)70(64(96)57(45-85)105-75)109-77-67(99)65(97)63(95)56(44-84)106-77/h19-20,51-59,61-78,83-87,90-92,94-101H,5-18,21-48H2,1-4H3,(H,81,89)(H,82,93)(H,102,103)/b20-19-/t51-,52+,53-,54+,55-,56-,57-,58-,59-,61-,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72+,73?,74-,75+,76-,77+,78+,80+/m1/s1
HMDB11887	Ganglioside GM1 (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C81H148N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-61(94)83-53(54(91)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)49-105-77-69(101)67(99)72(59(47-87)108-77)111-79-70(102)75(114-81(80(103)104)43-55(92)62(82-51(4)90)74(113-81)63(95)56(93)44-84)73(60(48-88)109-79)112-76-52(42-50(3)89)71(65(97)58(46-86)106-76)110-78-68(100)66(98)64(96)57(45-85)107-78/h52-60,62-79,84-88,91-93,95-102H,5-49H2,1-4H3,(H,82,90)(H,83,94)(H,103,104)/t52-,53+,54-,55+,56-,57-,58-,59-,60-,62-,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75-,76+,77-,78+,79+,81+/m1/s1
HMDB11884	Ganglioside GM1 (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C79H144N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-59(92)81-51(52(89)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)47-103-75-67(99)65(97)70(57(45-85)106-75)109-77-68(100)73(112-79(78(101)102)41-53(90)60(80-49(4)88)72(111-79)61(93)54(91)42-82)71(58(46-86)107-77)110-74-50(40-48(3)87)69(63(95)56(44-84)104-74)108-76-66(98)64(96)62(94)55(43-83)105-76/h50-58,60-77,82-86,89-91,93-100H,5-47H2,1-4H3,(H,80,88)(H,81,92)(H,101,102)/t50-,51+,52-,53+,54-,55-,56-,57-,58-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,71+,72?,73-,74+,75-,76+,77+,79+/m1/s1
HMDB11885	Ganglioside GM1 (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C80H146N2O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(93)82-52(53(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)48-104-76-68(100)66(98)71(58(46-86)107-76)110-78-69(101)74(113-80(79(102)103)42-54(91)61(81-50(4)89)73(112-80)62(94)55(92)43-83)72(59(47-87)108-78)111-75-51(41-49(3)88)70(64(96)57(45-85)105-75)109-77-67(99)65(97)63(95)56(44-84)106-77/h51-59,61-78,83-87,90-92,94-101H,5-48H2,1-4H3,(H,81,89)(H,82,93)(H,102,103)/t51-,52+,53-,54+,55-,56-,57-,58-,59-,61-,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72+,73?,74-,75+,76-,77+,78+,80+/m1/s1
HMDB53358	TG(20:2n6/14:1(9Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,55H,4-13,20-22,27-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-
HMDB53359	TG(20:2n6/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,29-30,34,37,55H,4-13,20-22,27-28,31-33,35-36,38-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,37-34-
HMDB53354	TG(20:2n6/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-40-43-46-49-52-55-58-64(66)69-62(60-67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)61-68-63(65)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,62H,4-13,15-16,18-22,24-25,27-61H2,1-3H3/b17-14-,26-23-
HMDB53355	TG(20:2n6/14:1(9Z)/20:2n6)	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h13-18,22-25,52H,4-12,19-21,26-51H2,1-3H3/b16-13-,17-14-,18-15-,24-22-,25-23-
HMDB53356	TG(20:2n6/14:1(9Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,30,32,53H,4-13,20-22,27-29,31,33-52H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,32-30-
HMDB53357	TG(20:2n6/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,30,32,37,40,53H,4-13,20-22,27-29,31,33-36,38-39,41-52H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,32-30-,40-37-
HMDB53350	TG(20:2n6/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,38,41,63H,4-7,9-10,12-14,16,19,21-23,25,28,30-37,39-40,42-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,41-38-
HMDB53351	TG(20:2n6/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,38,41,47,50,63H,4-7,9-10,12-14,16,19,21-23,25,28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,41-38-,50-47-
HMDB53352	TG(20:2n6/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,35,37,43,46,65H,4-7,9-10,12-14,16,19,21-23,25,28,30-34,36,38-42,44-45,47-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,37-35-,46-43-
HMDB51168	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-28,30-32,34,38,40-41,43,56H,4-7,9-10,12-16,19,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-
HMDB10131	PIP2(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11-14,17-19,21-23,39,42-47,50-52H,3-10,15-16,20,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,14-12-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10130	PIP2(20:3(8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-19,21-23,39,42-47,50-52H,3-10,12,14-16,20,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10133	PIP2(20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22-23,27,29,39,42-47,50-52H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10132	PIP2(20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,20,22,25,27,37,40-45,48-50H,3-10,12,14-16,19,21,23-24,26,28-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-,22-20-,27-25-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10135	PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-19,21-23,27,29,39,42-47,50-52H,3-10,12,14-16,20,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,19-17-,21-18-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10134	PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13-14,16-17,19,22-23,27,29,39,42-47,50-52H,3-10,12,15,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14-,19-17-,23-22-,29-27-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10137	PIP2(20:4(8Z,11Z,14Z,17Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17,19,22-23,39,42-47,50-52H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,19-17-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10136	PIP2(20:4(8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13,17-18,20,22,37,40-45,48-50H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10139	PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-19,21-23,39,42-47,50-52H,3-4,6,8-10,12,14-16,20,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,19-17-,21-18-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10138	PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13-14,16-17,19,22-23,39,42-47,50-52H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB50919	TG(20:3(5Z,8Z,11Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,39-40,42-43,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB50918	TG(20:3(5Z,8Z,11Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB51166	TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,37-38,41-43,45-46,60H,4-15,17,20,22-24,30,32,36,39-40,44,47-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-
HMDB55175	TG(18:3(9Z,12Z,15Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,55H,4-7,9-10,12-16,18-19,21-25,27-28,30-54H2,1-3H3/b11-8-,20-17-,29-26-
HMDB06039	8-Chloroxanthine	ClC1=NC2=C(N1)C(=O)NC(=O)N2	InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)
HMDB06038	3'-O-Methylguanosine	CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1NC(N)=NC2=O	InChI=1S/C11H15N5O5/c1-20-7-4(2-17)21-10(6(7)18)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
HMDB49803	TG(18:1(9Z)/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29,34-35,38,44,47,60H,4-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b29-26-,34-27-,38-35-,47-44-
HMDB06032	Imidazoleacetic acid ribotide	O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)N1C=NC(CC(O)=O)=C1	InChI=1S/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/t6-,8-,9-,10?/m1/s1
HMDB06031	11-Ketoetiocholanolone	[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1
HMDB49800	TG(18:1(9Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h27,31,57H,4-26,28-30,32-56H2,1-3H3/b31-27-
HMDB06037	8-Hydroxy-7-methylguanine	CN1C(=O)NC2=C1C(=O)N=C(N)N2	InChI=1S/C6H7N5O2/c1-11-2-3(9-6(11)13)8-5(7)10-4(2)12/h1H3,(H4,7,8,9,10,12,13)
HMDB06036	Mesterolone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C[C@H](C)[C@]12C	InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1
HMDB06035	4-Dihydroboldenone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)C=C[C@]12C	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
HMDB49804	TG(18:1(9Z)/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-
HMDB59211	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-38,41-44,49-50,53-54,61-62,65-66,83-85,90H,5-20,23-24,28-30,32,35-36,39-40,45-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB04888	Ganglioside GA2 (d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC	InChI=1S/C50H92N2O18/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-34(57)33(52-38(58)27-25-23-21-18-13-11-9-7-5-2)31-65-49-44(63)42(61)47(36(29-54)67-49)70-50-45(64)43(62)46(37(30-55)68-50)69-48-39(51-32(3)56)41(60)40(59)35(28-53)66-48/h24,26,33-37,39-50,53-55,57,59-64H,4-23,25,27-31H2,1-3H3,(H,51,56)(H,52,58)/b26-24+/t33-,34+,35+,36+,37+,39+,40-,41+,42+,43+,44?,45+,46-,47+,48-,49+,50-/m0/s1
HMDB04889	Ganglioside GA2 (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H102N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h18-19,30,32,39-43,45-56,59-61,63,65-70H,4-17,20-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b19-18-,32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55+,56-/m0/s1
HMDB52409	TG(18:2(9Z,12Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-31,34,37,42,45,55H,4-6,8-9,11-15,17-18,21-22,25,28,32-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-,45-42-
HMDB52408	TG(18:2(9Z,12Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-31,34,37,55H,4-6,8-9,11-15,17-18,21-22,25,28,32-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-,31-27-,37-34-
HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+
HMDB52406	TG(18:2(9Z,12Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-30,32,53H,4-6,8-9,11-15,17-18,21-22,25,28,31,33-52H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-27-,32-30-
HMDB04886	Trihexosylceramide (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C60H113NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)51(69)56(46(40-63)76-58)79-60-55(73)52(70)57(47(41-64)77-60)78-59-53(71)50(68)49(67)45(39-62)75-59/h35,37,43-47,49-60,62-65,67-73H,3-34,36,38-42H2,1-2H3,(H,61,66)/b37-35+
HMDB04887	Trihexosylceramide (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C61H115NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-49(67)62-44(45(66)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)43-75-59-55(73)52(70)57(47(41-64)77-59)80-61-56(74)53(71)58(48(42-65)78-61)79-60-54(72)51(69)50(68)46(40-63)76-60/h36,38,44-48,50-61,63-66,68-74H,3-35,37,39-43H2,1-2H3,(H,62,67)/b38-36+
HMDB04880	Trihexosylceramide (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C54H101NO18/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(60)55-37(38(59)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-68-52-48(66)45(63)50(40(34-57)70-52)73-54-49(67)46(64)51(41(35-58)71-54)72-53-47(65)44(62)43(61)39(33-56)69-53/h29,31,37-41,43-54,56-59,61-67H,3-28,30,32-36H2,1-2H3,(H,55,60)/b31-29+
HMDB04881	Trihexosylceramide (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C56H105NO18/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(62)57-39(40(61)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-70-54-50(68)47(65)52(42(36-59)72-54)75-56-51(69)48(66)53(43(37-60)73-56)74-55-49(67)46(64)45(63)41(35-58)71-55/h31,33,39-43,45-56,58-61,63-69H,3-30,32,34-38H2,1-2H3,(H,57,62)/b33-31+
HMDB04882	Trihexosylceramide (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C58H109NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(64)59-41(42(63)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-72-56-52(70)49(67)54(44(38-61)74-56)77-58-53(71)50(68)55(45(39-62)75-58)76-57-51(69)48(66)47(65)43(37-60)73-57/h33,35,41-45,47-58,60-63,65-71H,3-32,34,36-40H2,1-2H3,(H,59,64)/b35-33+
HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCC\C=C\CCCCCCCC	InChI=1S/C60H111NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)51(69)56(46(40-63)76-58)79-60-55(73)52(70)57(47(41-64)77-60)78-59-53(71)50(68)49(67)45(39-62)75-59/h17-18,35,37,43-47,49-60,62-65,67-73H,3-16,19-34,36,38-42H2,1-2H3,(H,61,66)/b18-17+,37-35+
HMDB48929	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-30,32,54H,4-7,9-10,12-15,18,22-23,28,31,33-53H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-
HMDB56057	DG(18:0/0:0/18:4n3)	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,37,40H,3-4,6,8-10,12,14-16,18,20-22,24,26-36H2,1-2H3/b7-5-,13-11-,19-17-,25-23-
HMDB48928	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20-22,24-26,28,53H,4-7,9-10,12,14-15,18-19,23,27,29-52H2,1-3H3/b11-8-,16-13-,20-17-,24-21-,25-22-,28-26-
HMDB07348	DG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,27,29,41,44H,3-5,7,9-11,13,15-16,20-22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,19-17-,23-18-,29-27-/t41-/m0/s1
HMDB07349	DG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,27,29,41,44H,3-5,7,9-10,15-16,20-22,24-26,28,30-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,23-18-,29-27-/t41-/m0/s1
HMDB07342	DG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24-25,27-28,30,39,42H,3-5,7,9-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1
HMDB07343	DG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27,39,42H,3-5,7,9-10,15-16,20,23,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m0/s1
HMDB07340	DG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,39,42H,3-5,7,9-11,13,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1
HMDB07341	DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,25,27,39,42H,3-5,7,9-10,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1
HMDB07346	DG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H62O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-28,30,39,42H,3-4,9-10,15-16,20,23,26,29,31-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1
HMDB07347	DG(18:4(6Z,9Z,12Z,15Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,27,29,41,44H,3-5,7,9-11,13,15-17,19-22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,23-18-,29-27-/t41-/m0/s1
HMDB07344	DG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27-28,30,39,42H,3-5,7,9-10,15-16,20,23,26,29,31-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1
HMDB07345	DG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27,39,42H,3-4,9-10,15-16,20,23,26,28-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m0/s1
HMDB39646	Ginsenoside M7cd	CC(=C)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C	InChI=1S/C36H62O10/c1-18(2)20(38)10-14-36(8,46-31-29(44)28(43)27(42)23(17-37)45-31)19-9-13-34(6)26(19)21(39)15-24-33(5)12-11-25(41)32(3,4)30(33)22(40)16-35(24,34)7/h19-31,37-44H,1,9-17H2,2-8H3
HMDB53216	TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-28,30-32,35,37,40-41,44,56H,4-6,9,12-15,22-24,29,33-34,36,38-39,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,40-37-,44-41-
HMDB11180	L-prolyl-L-proline	OC(=O)C1CCCN1C(=O)C1CCCN1	InChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
HMDB12518	11'-carboxy-gamma-tocotrienol	C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C25H36O4/c1-17(8-6-9-18(2)11-12-23(27)28)10-7-14-25(5)15-13-21-16-22(26)19(3)20(4)24(21)29-25/h9-10,16,26H,6-8,11-15H2,1-5H3,(H,27,28)/b17-10+,18-9+/t25-/m1/s1
HMDB12515	11'-Carboxy-alpha-chromanol	C[C@@H](CCC[C@@H](C)CCC(O)=O)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C26H42O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h17-18,29H,7-16H2,1-6H3,(H,27,28)/t17-,18+,26+/m0/s1
HMDB12517	11'-Carboxy-gamma-chromanol	C[C@@H](CCC[C@@H](C)CCC(O)=O)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2	InChI=1S/C25H40O4/c1-17(8-6-9-18(2)11-12-23(27)28)10-7-14-25(5)15-13-21-16-22(26)19(3)20(4)24(21)29-25/h16-18,26H,6-15H2,1-5H3,(H,27,28)/t17-,18+,25+/m0/s1
HMDB12516	11'-Carboxy-alpha-tocotrienol	C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	InChI=1S/C26H38O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h10-11,29H,7-9,12-16H2,1-6H3,(H,27,28)/b17-11+,18-10+/t26-/m1/s1
HMDB53439	TG(20:2n6/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,33,59H,4-8,10-11,13,15-16,19-20,22,24,29-32,34-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,33-27-
HMDB53438	TG(20:2n6/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,33,35,41,44,50,53,63H,4-14,17,20-23,30-32,34,36-40,42-43,45-49,51-52,54-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,35-33-,44-41-,53-50-
HMDB02835	Danazol	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
HMDB05826	Galactinol	OC[C@H]1O[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5?,6-,7+,8-,9-,10-,11?,12-/m1/s1
HMDB02833	Testosterone sulfate	[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1
HMDB02832	Methylnoradrenaline	CC(N)C(O)C1=CC(O)=C(O)C=C1	InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
HMDB05823	Difucosyllacto-N-hexaose I	CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C5O)C(NC(C)=O)C4OC4OC(C)C(O)C(O)C4O)C3O)C(NC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C52H88N2O39/c1-12-25(66)31(72)34(75)48(80-12)88-40-21(10-60)85-47(24(54-15(4)63)43(40)91-50-36(77)33(74)28(69)18(7-57)82-50)93-45-30(71)20(9-59)84-52(38(45)79)89-41-22(11-61)86-46(23(53-14(3)62)42(41)90-49-35(76)32(73)26(67)13(2)81-49)92-44-29(70)19(8-58)83-51(37(44)78)87-39(17(65)6-56)27(68)16(64)5-55/h5,12-13,16-52,56-61,64-79H,6-11H2,1-4H3,(H,53,62)(H,54,63)
HMDB53431	TG(20:2n6/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,37,39-40,42,46,48-49,51,61H,4-6,8-9,11-14,17,20-23,30-31,33,35-36,38,41,43-45,47,50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,40-37-,42-39-,49-46-,51-48-
HMDB51657	TG(22:1(13Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,44,47,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-,47-44-
HMDB53433	TG(20:2n6/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,23-28,60H,4-13,16,19-22,29-59H2,1-3H3/b17-14-,18-15-,26-23-,27-24-,28-25-
HMDB53432	TG(20:2n6/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,33,36,42,45,58H,4-13,15-16,18-22,24,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b17-14-,26-23-,28-25-,36-33-,45-42-
HMDB53435	TG(20:2n6/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,36,39,45,48,61H,4-14,16,19,21-23,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,39-36-,48-45-
HMDB53434	TG(20:2n6/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,36,39,61H,4-14,16,19,21-23,30-35,37-38,40-60H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,39-36-
HMDB53437	TG(20:2n6/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,33,35,41,44,63H,4-14,17,20-23,30-32,34,36-40,42-43,45-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,35-33-,44-41-
HMDB53436	TG(20:2n6/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,63H,4-14,17,20-23,30-62H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-
HMDB41498	2-Nonen-1-ol	CCCCCC\C=C\CO	InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7+
HMDB41499	(Z)-2-Nonen-1-ol	CCCCCC\C=C/CO	InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7-
HMDB55178	TG(18:3(9Z,12Z,15Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,36,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34-35,37-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,36-33-
HMDB55179	TG(18:3(9Z,12Z,15Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,36,42,45,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,36-33-,45-42-
HMDB41490	Dihydrogeranylacetone	CC(CCCC(C)=O)CCC=C(C)C	InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3
HMDB41491	3-(Methylthio)butanal	CSC(C)CC=O	InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
HMDB41492	1,2-Butanedithiol	CCC(S)CS	InChI=1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
HMDB41493	4-Isopropylphenylacetaldehyde	CC(C)C1=CC=C(CC=O)C=C1	InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3
HMDB41494	Santolina alcohol; (S)-form, Ac	CC(C)=CC(C=C)C(C)(C)OC(C)=O	InChI=1S/C12H20O2/c1-7-11(8-9(2)3)12(5,6)14-10(4)13/h7-8,11H,1H2,2-6H3
HMDB41495	16,17,19-Kauranetriol; (ent-16aOH)-form, 19-Aldehyde, 17-Ac	CC(=O)OCC1(O)CC23CC1CCC2C1(C)CCCC(C)(C=O)C1CC3	InChI=1S/C22H34O4/c1-15(24)26-14-22(25)12-21-10-7-17-19(2,13-23)8-4-9-20(17,3)18(21)6-5-16(22)11-21/h13,16-18,25H,4-12,14H2,1-3H3
HMDB41496	Gibberellin A97	CC12CC(O)CC(C)(C1C(C(O)=O)C13CC(=C)C(O)(C1)CCC23)C(O)=O	InChI=1S/C20H28O6/c1-10-6-19-9-20(10,26)5-4-12(19)17(2)7-11(21)8-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)
HMDB41497	5-Methyl-2-methylene-3-vinyl-4-hexen-1-ol; (S)-form, Ac	CC(C)=CC(C=C)C(=C)COC(C)=O	InChI=1S/C12H18O2/c1-6-12(7-9(2)3)10(4)8-14-11(5)13/h6-7,12H,1,4,8H2,2-3,5H3
HMDB54801	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,32-33,37,40,60H,4-13,15,18,20-22,24,27,29-31,34-36,38-39,41-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-32-,40-37-
HMDB54800	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33-36,40-41,43-44,49,52,63H,4-6,8-9,11-14,21-23,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB54803	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-37,40-45,50,53,64H,4-15,22-24,31-32,35,38-39,46-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-
HMDB54802	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,33-34,36-37,40-45,64H,4-15,22-24,31-32,35,38-39,46-63H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-
HMDB54805	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-41,43,60H,4-8,10-11,13-15,22-24,30,32,35,37,42,44-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-
HMDB54804	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,36,38-39,41,60H,4-8,10-11,13-15,22-24,30,32,35,37,40,42-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-
HMDB54807	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,45,48,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-
HMDB54806	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,32,35-36,38-41,43,62H,4-7,9-10,12-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-
HMDB54809	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,50,53,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-
HMDB54808	TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-
HMDB04068	Melanin	CC1=C2NC=C3C2=C(C2=CNC4=C(C)C(=O)C(=O)C3=C24)C(=O)C1=O	InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3
HMDB34312	Isopimpinellin	COC1=C2OC(=O)C=CC2=C(OC)C2=C1OC=C2	InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
HMDB04062	Gentisate aldehyde	OC1=CC(C=O)=C(O)C=C1	InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H
HMDB04063	Metanephrine	CNCC(O)C1=CC(OC)=C(O)C=C1	InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3
HMDB04061	3-Methoxy-4-hydroxyphenylglycolaldehyde	COC1=C(O)C=CC(=C1)C(O)C=O	InChI=1S/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-5,8,11-12H,1H3
HMDB04067	Leucodopachrome	OC(=O)[C@@H]1CC2=CC(O)=C(O)C=C2N1	InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m0/s1
HMDB57440	CL(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-48,50,52,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,49,51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-/t79?,80-,81-/m1/s1
HMDB57441	CL(16:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,27-29,31-32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB57442	CL(16:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,27,29,31,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB34310	Cordeauxione	COC1=C(O)C2=C(C(O)=C1O)C(=O)C(C(C)=O)=C(C)C2=O.COC1=C(O)C(O)=C2C(=O)C(C(C)=O)=C(C)C(O)=C2C1=O	InChI=1S/2C14H12O7/c2*1-4-6(5(2)15)10(17)8-7(9(4)16)12(19)14(21-3)13(20)11(8)18/h18-20H,1-3H3;16,18,20H,1-3H3
HMDB57444	CL(16:1(9Z)/18:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-32,71-73,78H,5-26,29-30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-/t72-,73-/m1/s1
HMDB57445	CL(16:1(9Z)/18:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-28,30-32,69-71,76H,5-25,29,33-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,32-28-/t69?,70-,71-/m1/s1
HMDB45328	TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,27-28,30-31,37,40,55H,4-8,10-11,13-17,20,23-26,29,32-36,38-39,41-54H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,31-28-,40-37-
HMDB45329	TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,34,36-37,39,54H,4-8,10-11,13-15,17,20,22-24,26,29,31-33,35,38,40-53H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-
HMDB45326	TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,33,40,43,58H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,33-27-,43-40-
HMDB34317	Sennoside A	[H][C@]1(C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O	InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
HMDB45324	TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,31,38,41,56H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,41-38-
HMDB45325	TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,31-32,34,38,40-41,43,56H,4-8,10-11,13-17,19-20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB45322	TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,27,30,36,39,54H,4-8,10-11,13-17,20,23-26,28-29,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,39-36-
HMDB45323	TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,54H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-
HMDB45320	TG(18:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,35,50H,4-7,9-10,12-14,16,19,21-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-32-
HMDB45321	TG(18:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,34,37,52H,4-7,9-10,12-16,18-19,22-23,25,27,29-33,35-36,38-51H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,37-34-
HMDB48321	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-
HMDB48320	TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,43,46,56H,4-6,9,12-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-
HMDB48323	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27,29,35,38,50H,4-6,8-9,11-14,17,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,29-27-,38-35-
HMDB48322	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H84O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h7,10,14-19,23-24,26-27,33,36,48H,4-6,8-9,11-13,20-22,25,28-32,34-35,37-47H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,36-33-
HMDB48325	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,37,40,52H,4-6,8-9,11-14,17,20-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-,40-37-
HMDB31147	Chlorophyll c	CCC1=C(C)C2=CC3=C(C=C)C(C)=C(N3)C=C3N=C(C(\C=C\C([O-])=O)=C3C)C3=C(C(=O)OC)C([O-])=C4C(C)=C(C=C1N2)N=C34	InChI=1S/C35H32N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,10-14,36-37,42H,1,9H2,2-7H3,(H,40,41)/p-2/b11-10+,22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-
HMDB48327	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,30-33,38-39,41-42,54H,4-7,9-10,12-14,16,19,21-23,28-29,34-37,40,43-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB48326	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,31,33,39,42,54H,4-7,9-10,12-14,16,19,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,33-31-,42-39-
HMDB48329	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,35,37,43,46,58H,4-7,9-10,12-14,16,19,21-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,37-35-,46-43-
HMDB48328	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,33,35,41,44,56H,4-7,9-10,12-14,16,19,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-33-,44-41-
HMDB03876	15(S)-HETE	CCCCC[C@H](O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
HMDB31146	Chlorophyll b	CCC1=C(C=O)C2=[N]3C1=CC1=C(C)C4=C5N1[Mg]31N3C(=CC6=[N]1C(C(CCC(=O)OC\C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C6C)=C5C(C(=O)OC)C4=O)C(C)=C(C=C)C3=C2	InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25-;
HMDB03871	13-L-Hydroperoxylinoleic acid	CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1
HMDB03873	3a,7a,12a-Trihydroxy-5b-cholestanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC[C@@H](C)C(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
HMDB49490	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB49491	TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,35,41,44,57H,4-15,17-18,20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b19-16-,24-21-,28-25-,35-32-,44-41-
HMDB49492	TG(18:1(11Z)/22:2(13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,58H,4-15,17-18,22,26-27,29-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-
HMDB49493	TG(18:1(11Z)/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,27-28,33,58H,4-15,17-18,21-22,24,26,29-32,34-57H2,1-3H3/b19-16-,23-20-,28-25-,33-27-
HMDB49494	TG(18:1(11Z)/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,60H,4-15,17-18,20,22-23,27,30-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-
HMDB49495	TG(18:1(11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,35,38,44,47,60H,4-15,17-18,20,22-23,27,30-34,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,38-35-,47-44-
HMDB49496	TG(18:1(11Z)/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,62H,4-16,18-19,22-23,27,30-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-
HMDB49497	TG(18:1(11Z)/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,64H,4-16,18-19,22-23,27,30-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-
HMDB49498	TG(18:1(11Z)/22:2(13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,34,59H,4-15,17-18,22,26-27,30-33,35-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-29-
HMDB49499	TG(18:1(11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,32,38,41,58H,4-15,18,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,32-26-,41-38-
HMDB01586	Glucose 1-phosphate	OC[C@H]1OC(OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
HMDB01587	Phenylglyoxylic acid	OC(=O)C(=O)C1=CC=CC=C1	InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
HMDB45494	TG(20:0/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,35,38,56H,4-15,17-18,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,26-24-,31-29-,38-35-
HMDB45495	TG(20:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,35,38,43,46,56H,4-15,17-18,20-23,25,27-28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,31-29-,38-35-,46-43-
HMDB45496	TG(20:0/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-51H2,1-3H3/b11-8-,20-17-,28-25-
HMDB45497	TG(20:0/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,33,35,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-32,34,36-51H2,1-3H3/b11-8-,20-17-,28-25-,35-33-
HMDB45490	TG(20:0/14:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,53H,4-13,15-16,18-22,24,26-52H2,1-3H3/b17-14-,25-23-
HMDB45491	TG(20:0/14:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,54H,4-15,17-18,20-23,25,27-29,31,33-53H2,1-3H3/b19-16-,26-24-,32-30-
HMDB45492	TG(20:0/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,37,40,54H,4-15,17-18,20-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b19-16-,26-24-,32-30-,40-37-
HMDB45493	TG(20:0/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3/b19-16-,26-24-
HMDB45498	TG(20:0/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,54H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-53H2,1-3H3/b10-7-,19-16-,26-24-,32-30-
HMDB45499	TG(20:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,37,40,54H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,40-37-
HMDB49146	TG(18:1(11Z)/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,58H,4-15,17-18,21-22,24,26-27,29-57H2,1-3H3/b19-16-,23-20-,28-25-
HMDB49147	TG(18:1(11Z)/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,30-31,36,39,58H,4-15,17-18,21-22,24,26-27,29,32-35,37-38,40-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,39-36-
HMDB49144	TG(18:1(11Z)/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,32,34,56H,4-15,17-18,21-22,24,26-27,29-31,33,35-55H2,1-3H3/b19-16-,23-20-,28-25-,34-32-
HMDB49145	TG(18:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,32,34,40,43,56H,4-15,17-18,21-22,24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,23-20-,28-25-,34-32-,43-40-
HMDB49142	TG(18:1(11Z)/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,34,37,54H,4-15,17-18,21-22,24,26-27,29-33,35-36,38-53H2,1-3H3/b19-16-,23-20-,28-25-,37-34-
HMDB49143	TG(18:1(11Z)/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,55H,4-12,14-15,17-19,21,24,26-54H2,1-3H3/b16-13-,23-20-,25-22-
HMDB49140	TG(18:1(11Z)/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h20,23,25,28,60H,4-19,21-22,24,26-27,29-59H2,1-3H3/b23-20-,28-25-
HMDB49148	TG(18:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,30-31,36,39,45,48,58H,4-15,17-18,21-22,24,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,39-36-,48-45-
HMDB49149	TG(18:1(11Z)/18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,54H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-53H2,1-3H3/b10-7-,19-16-,23-20-,28-25-
HMDB35606	(24E)-3beta,15alpha,22S-Triacetoxylanosta-7,9(11),24-trien-26-oic acid	CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C36H52O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11-12,15,21,27-31H,13-14,16-19H2,1-10H3,(H,40,41)/b20-11+
HMDB35607	Saponin H	CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1	InChI=1S/C36H58O10/c1-19(2)14-20(38)15-35(7)30(46-35)21-8-9-24-33(5)12-11-25(45-31-29(42)28(41)27(40)22(17-37)44-31)32(3,4)23(33)10-13-34(24,6)36(21)16-26(39)43-18-36/h14,20-25,27-31,37-38,40-42H,8-13,15-18H2,1-7H3
HMDB33299	7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone	COC1=C(O)C=C(CC2COC3=CC(O)=CC(OC)=C3C2=O)C=C1	InChI=1S/C18H18O6/c1-22-14-4-3-10(6-13(14)20)5-11-9-24-16-8-12(19)7-15(23-2)17(16)18(11)21/h3-4,6-8,11,19-20H,5,9H2,1-2H3
HMDB33298	3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone	COC1=C2C(=O)C(CC3=CC(O)=C(O)C=C3)COC2=CC(O)=C1	InChI=1S/C17H16O6/c1-22-14-6-11(18)7-15-16(14)17(21)10(8-23-15)4-9-2-3-12(19)13(20)5-9/h2-3,5-7,10,18-20H,4,8H2,1H3
HMDB35602	Kahweol	CC12C=CC3=C(C=CO3)C1CCC13CC(CCC21)C(O)(CO)C3	InChI=1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3
HMDB35603	Mascaroside	CC12CC(=O)C3=C(C=CO3)C1CCC13CC(CC(O)C21)C(O)(COC1OC(CO)C(O)C(O)C1O)C3O	InChI=1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3
HMDB35600	(S)-Phellandral	CC(C)C1CCC(C=O)=CC1	InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3
HMDB35601	(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one	CC\C=C/CC1=C(C)CCC1=O	InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
HMDB33293	5-Methoxy-1,7-diphenyl-3-heptanone	COC(CCC1=CC=CC=C1)CC(=O)CCC1=CC=CC=C1	InChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3
HMDB02586	Chenodeoxycholic acid 3-sulfate	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O	InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
HMDB02585	3b,12b-Dihydroxy-5b-cholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21-,23+,24-/m1/s1
HMDB33290	Junosmarin	CC(C)CC(=O)OC1C(O)C2=C(OC1(C)C)C=CC1=C2OC(=O)C=C1	InChI=1S/C19H22O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-8,10,16,18,22H,9H2,1-4H3
HMDB33297	Kuwanon Z	CC12CC(C3=C(O1)C=C(O)C=C3)C13OC1(OC1=C(C3C2=O)C(O)=CC(\C=C/C2=CC=C(O)C=C2O)=C1)C1=C(O)C=C(O)C=C1	InChI=1S/C34H26O10/c1-32-15-23(21-8-6-20(37)14-27(21)42-32)33-30(31(32)41)29-26(40)10-16(2-3-17-4-5-18(35)12-24(17)38)11-28(29)43-34(33,44-33)22-9-7-19(36)13-25(22)39/h2-14,23,30,35-40H,15H2,1H3/b3-2-
HMDB33296	Kuwanon Y	CC1=CC(C(C(C1)C1=CC=C(O)C=C1O)C(=O)C1=CC=C(O)C=C1O)C1=C(O)C=C(\C=C\C2=CC=C(O)C=C2O)C=C1O	InChI=1S/C34H30O9/c1-17-10-25(23-8-6-21(36)15-28(23)39)32(34(43)24-9-7-22(37)16-29(24)40)26(11-17)33-30(41)12-18(13-31(33)42)2-3-19-4-5-20(35)14-27(19)38/h2-9,11-16,25-26,32,35-42H,10H2,1H3/b3-2+
HMDB33295	7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one	OC1=CC=C(CC\C=C\C(=O)CCC2=CC=CC=C2)C=C1	InChI=1S/C19H20O2/c20-18(13-10-16-6-2-1-3-7-16)9-5-4-8-17-11-14-19(21)15-12-17/h1-3,5-7,9,11-12,14-15,21H,4,8,10,13H2/b9-5+
HMDB02580	Taurolithocholic acid 3-sulfate	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
HMDB46671	TG(22:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,36,44,47,62H,4-15,17,20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b19-16-,21-18-,28-25-,36-27-,47-44-
HMDB46670	TG(22:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34-35,37,42-43,45-46,60H,4-16,19,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b20-17-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB46673	TG(22:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,39,42,44,47-48,51,62H,4-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB46672	TG(22:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32,34,36,39,42,44,47,62H,4-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-
HMDB46675	TG(22:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,32-33,38,40-41,43,58H,4-7,9-10,12-16,19,22-25,28-31,34-37,39,42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,41-38-,43-40-
HMDB46674	TG(22:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,32-33,40,43,58H,4-7,9-10,12-16,19,22-25,28-31,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,21-18-,32-26-,33-27-,43-40-
HMDB46677	TG(22:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,37,42-43,45-46,60H,4-7,9-10,12-16,19,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB46676	TG(22:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,37,42,45,60H,4-7,9-10,12-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-
HMDB46679	TG(22:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,39,42,44,47-48,51,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-,51-48-
HMDB46678	TG(22:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,39,42,44,47,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43,45-46,48-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-,47-44-
HMDB42372	TG(14:0/18:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24-26,28,52H,4-23,27,29-51H2,1-3H3/b26-24-,28-25-
HMDB31336	(Z)-9-Cycloheptadecen-1-one	O=C1CCCCCCC\C=C\CCCCCCC1	InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1+
HMDB42373	TG(14:0/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24-26,28-30,36,39,52H,4-23,27,31-35,37-38,40-51H2,1-3H3/b26-24-,28-25-,30-29-,39-36-
HMDB02055	o-Cresol	CC1=CC=CC=C1O	InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
HMDB02054	Tiglyl-CoA	C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b14-5+/t15-,18-,19-,20?,24-/m1/s1
HMDB02057	Pristanoyl-CoA	CC(C)CCCC(C)CCCC(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C40H70N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-27,29,32-34,38,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t25?,26?,27?,29-,32-,33-,34?,38-/m1/s1
HMDB02056	Monoisobutyl phthalic acid	CC(C)COC(=O)C1=CC=CC=C1C(O)=O	InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)
HMDB02050	Dihydroxyfumaric acid	OC(O)=C(O)C(=O)C(O)=O	InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5,7-8H,(H,9,10)
HMDB02053	Histidylproline diketopiperazine	[H][C@@]12CCCCN1C(=O)[C@H](CC1=CN=CN1)NC2=O	InChI=1S/C12H16N4O2/c17-11-10-3-1-2-4-16(10)12(18)9(15-11)5-8-6-13-7-14-8/h6-7,9-10H,1-5H2,(H,13,14)(H,15,17)/t9-,10-/m0/s1
HMDB02052	Maleylacetoacetic acid	OC(=O)CC(=O)CC(=O)\C=C/C(O)=O	InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-
HMDB42377	TG(14:0/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,31,34,50H,4-15,17-18,20-23,28-30,32-33,35-49H2,1-3H3/b19-16-,26-24-,27-25-,34-31-
HMDB02059	12-Hydroxydodecanoic acid	OCCCCCCCCCCCC(O)=O	InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
HMDB58609	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB41375	Notoginsenoside R9	CC(C)(O)C\C=C\C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H62O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h9,13,19-30,37-44H,10-12,14-18H2,1-8H3/b13-9+
HMDB41374	cis-Murisolinone	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30-27-29(26-28(2)36)35(39)40-30/h29-34,37-38H,3-27H2,1-2H3
HMDB41377	Camelliatannin E	OC(C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OCC1O)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC=C(O)C(O)=C1	InChI=1S/C49H38O28/c50-17-2-1-11(3-19(17)52)41-25(58)4-12-18(51)9-20(53)31(42(12)74-41)40(68)44-45(77-49(72)16-8-24(57)35(63)39(67)30(16)29-15(48(71)76-44)7-23(56)34(62)38(29)66)43-26(59)10-73-46(69)13-5-21(54)32(60)36(64)27(13)28-14(47(70)75-43)6-22(55)33(61)37(28)65/h1-3,5-9,25-26,40-41,43-45,50-68H,4,10H2
HMDB41376	exo,exo-1,8-Epoxy-p-menthane-2,6-diol	CC1(C)OC2(C)C(O)CC1CC2O	InChI=1S/C10H18O3/c1-9(2)6-4-7(11)10(3,13-9)8(12)5-6/h6-8,11-12H,4-5H2,1-3H3
HMDB41371	18-Nor-4(19),8,11,13-abietatetraene	CC(C)C1=CC2=C(C=C1)C1(C)CCCC(=C)C1CC2	InChI=1S/C19H26/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-13,17H,3,5-6,8-9,11H2,1-2,4H3
HMDB41370	Na-p-Hydroxycoumaroyltryptophan	OC(=O)C(CC1=CNC2=C1C=CC=C2)NC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C20H18N2O4/c23-15-8-5-13(6-9-15)7-10-19(24)22-18(20(25)26)11-14-12-21-17-4-2-1-3-16(14)17/h1-10,12,18,21,23H,11H2,(H,22,24)(H,25,26)/b10-7+
HMDB41373	Ustiloxin B	CCC1(C)OC2=CC(C(O)C(NC)C(=O)NC(C)C(=O)NC1C(=O)NCC(O)=O)=C(C=C2O)S(=O)CC(O)CC(N)C(O)=O	InChI=1S/C26H39N5O12S/c1-5-26(3)21(24(39)29-9-18(34)35)31-22(37)11(2)30-23(38)19(28-4)20(36)13-7-16(43-26)15(33)8-17(13)44(42)10-12(32)6-14(27)25(40)41/h7-8,11-12,14,19-21,28,32-33,36H,5-6,9-10,27H2,1-4H3,(H,29,39)(H,30,38)(H,31,37)(H,34,35)(H,40,41)
HMDB13492	PGP(16:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C40H74O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41H,3-10,12,15,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,16-14-,18-17-/t37-,38+/m0/s1
HMDB50492	TG(20:1(11Z)/18:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34,60H,4-24,30-33,35-59H2,1-3H3/b28-25-,29-26-,34-27-
HMDB50493	TG(20:1(11Z)/18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-
HMDB50490	TG(20:1(11Z)/18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32,58H,4-24,30-31,33-57H2,1-3H3/b28-25-,29-26-,32-27-
HMDB50491	TG(20:1(11Z)/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,32-33,35,41,44,58H,4-24,30-31,34,36-40,42-43,45-57H2,1-3H3/b28-25-,29-26-,32-27-,35-33-,44-41-
HMDB41379	2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one	COC1=CC2=C(OC(C)(C)C(O)C2=O)C=C1	InChI=1S/C12H14O4/c1-12(2)11(14)10(13)8-6-7(15-3)4-5-9(8)16-12/h4-6,11,14H,1-3H3
HMDB13491	PGP(16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41H,3-13,15,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b16-14-,18-17-/t37-,38+/m0/s1
HMDB50494	TG(20:1(11Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,31-32,57H,4-19,21-22,24,26,30,33-56H2,1-3H3/b23-20-,28-25-,31-27-,32-29-
HMDB50495	TG(20:1(11Z)/18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20,25-28,30-31,36,39,56H,4-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b20-17-,28-25-,30-26-,31-27-,39-36-
HMDB47236	TG(24:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,36,41,44,64H,4-16,18-19,22-23,25,27-28,30-33,35,37-40,42-43,45-63H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,44-41-
HMDB47237	TG(24:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,34,36,41,44,50,53,64H,4-16,18-19,22-23,25,27-28,30-33,35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b20-17-,24-21-,29-26-,36-34-,44-41-,53-50-
HMDB47234	TG(24:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,37,39,45,48,62H,4-16,18-19,22-23,25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b20-17-,24-21-,29-26-,39-37-,48-45-
HMDB13490	PGP(16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,37-38,41H,3-12,17-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-13-,16-14-/t37-,38+/m0/s1
HMDB47232	TG(24:0/18:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,61H,4-13,15-16,18-20,22,25,27-60H2,1-3H3/b17-14-,24-21-,26-23-
HMDB47233	TG(24:0/18:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,37,39,62H,4-16,18-19,22-23,25,27-28,30-36,38,40-61H2,1-3H3/b20-17-,24-21-,29-26-,39-37-
HMDB47230	TG(24:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,29,36,61H,4-19,22,25-28,30-35,37-60H2,1-3H3/b23-20-,24-21-,36-29-
HMDB47231	TG(24:0/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,34,40,43,60H,4-16,18-19,22-23,25,27-33,35-39,41-42,44-59H2,1-3H3/b20-17-,24-21-,34-26-,43-40-
HMDB13497	PGP(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,39-40,43H,3-10,12,15,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,16-14-,18-17-,22-20-,28-26-/t39-,40+/m0/s1
HMDB47238	TG(24:0/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,34,60H,4-7,9-10,12-16,18-19,22-23,25,27-33,35-59H2,1-3H3/b11-8-,20-17-,24-21-,34-26-
HMDB47239	TG(24:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,34,40,43,60H,4-7,9-10,12-16,18-19,22-23,25,27-33,35-39,41-42,44-59H2,1-3H3/b11-8-,20-17-,24-21-,34-26-,43-40-
HMDB58603	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-44,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,38-39,45-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB13495	PGP(16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,20,22,26,28,39-40,43H,3-13,15,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b16-14-,18-17-,22-20-,28-26-/t39-,40+/m0/s1
HMDB58601	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,42-43,45-48,52-54,57-58,60,64-66,69-70,85-87,92H,5-20,24,28-32,40-41,44,49-51,55-56,59,61-63,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,52-48-,57-53-,58-54-,64-60-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB58600	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,41,44-47,50-52,56,58-59,62-64,68,83-85,90H,5-20,24,28-32,40,42-43,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB58606	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB46465	TG(22:0/16:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,62H,4-20,22-23,26,28-61H2,1-3H3/b24-21-,27-25-
HMDB49568	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39,45,48,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-
HMDB49569	TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30,54H,4-6,8,11,13-15,17,22,24,26,29,31-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,30-27-
HMDB42774	TG(14:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,50H,4-6,9,12-15,18,21-23,28-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-
HMDB42775	TG(14:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,31,34,50H,4-6,9,12-15,18,21-23,28-30,32-33,35-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,34-31-
HMDB42776	TG(14:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,52H,4-6,9,12-15,18,21-23,27,31-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-
HMDB42777	TG(14:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,36,39,52H,4-6,9,12-15,18,21-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-
HMDB42770	TG(14:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,36,39,52H,4-7,9-10,12-15,18,21-23,27,31-35,37-38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,39-36-
HMDB42771	TG(14:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,54H,4-7,9-10,12-15,18,21-23,27-29,31-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-
HMDB42772	TG(14:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,32,35,54H,4-7,9-10,12-15,18,21-23,27,31,33-34,36-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-
HMDB42773	TG(14:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,32,35,41,44,54H,4-7,9-10,12-15,18,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-
HMDB34605	Annuolide G	C\C=C(/C)C(=O)OC1CC(C)(O)C2CC=C(C)C2C2OC(=O)C(=C)C12	InChI=1S/C20H26O5/c1-6-10(2)18(21)24-14-9-20(5,23)13-8-7-11(3)15(13)17-16(14)12(4)19(22)25-17/h6-7,13-17,23H,4,8-9H2,1-3,5H3/b10-6+
HMDB42778	TG(14:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,32,35,54H,4-6,9,12-15,18,21-23,27,31,33-34,36-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-
HMDB42779	TG(14:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,32,35,41,44,54H,4-6,9,12-15,18,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-
HMDB34604	Hebevinoside XIV	CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(OC(C)=O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(O)C(O)C1O	InChI=1S/C47H74O15/c1-23(2)13-12-14-24(3)35-31(60-43-38(54)37(53)36(52)32(61-43)21-56-25(4)48)20-47(11)41-30(51)19-29-28(45(41,9)17-18-46(35,47)10)15-16-34(44(29,7)8)62-42-39(55)40(59-27(6)50)33(22-57-42)58-26(5)49/h13,19,24,28,30-43,51-55H,12,14-18,20-22H2,1-11H3
HMDB39602	(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol	CC(C)C(C)\C=C\C(C)C1CC(O)C2C34CC=C5CC(O)CCC5(C)C3(CCC12C)O4	InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-16-23(30)24-25(22,5)13-14-28-26(6)11-10-21(29)15-20(26)9-12-27(24,28)31-28/h7-9,17-19,21-24,29-30H,10-16H2,1-6H3/b8-7+
HMDB32651	(Z)-Tamarindienal	CC(=O)\C=C\C(=O)C=O.OC(=C)\C=C\C(=O)C=O	InChI=1S/2C6H6O3/c2*1-5(8)2-3-6(9)4-7/h2-4H,1H3;2-4,8H,1H2/b2*3-2+
HMDB39600	Oolonghomobisflavan B	OC1=CC(=CC(O)=C1O)C1OC2=C(CC1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=C(CC1=C(O)C=C(O)C3=C1OC(C(C3)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1)C(O)=C2	InChI=1S/C45H36O22/c46-22-12-23(47)20-10-34(65-44(62)16-5-29(53)39(60)30(54)6-16)42(15-3-27(51)38(59)28(52)4-15)67-43(20)19(22)9-18-24(48)13-33-21(36(18)57)11-35(41(64-33)14-1-25(49)37(58)26(50)2-14)66-45(63)17-7-31(55)40(61)32(56)8-17/h1-8,12-13,34-35,41-42,46-61H,9-11H2
HMDB39601	Americanin D	OCC1C(OC2=C1C=C(\C=C/C=O)C=C2O)C1=CC(O)=C(O)C=C1	InChI=1S/C18H16O6/c19-5-1-2-10-6-12-13(9-20)17(24-18(12)16(23)7-10)11-3-4-14(21)15(22)8-11/h1-8,13,17,20-23H,9H2/b2-1-
HMDB32654	(E,E)-Futoamide	CC(C)CNC(=O)\C=C\CC\C=C\C1=CC2=C(OCO2)C=C1	InChI=1S/C18H23NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,20)/b7-5+,8-6+
HMDB32655	1-(4-Hydroxyphenyl)-1,2-ethanediol; (R)-form, 2-O-(4-Hydroxy-3-methoxy-E-cinnamoyl)	COC1=C(O)C=CC(\C=C\C(=O)OCC(O)C2=CC=C(O)C=C2)=C1	InChI=1S/C18H18O6/c1-23-17-10-12(2-8-15(17)20)3-9-18(22)24-11-16(21)13-4-6-14(19)7-5-13/h2-10,16,19-21H,11H2,1H3/b9-3+
HMDB39604	Isoannoreticuin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(O)CCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
HMDB32657	trans-delta-Viniferin	OC1=CC=C(C=C1)C1OC2=C(C=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C1C1=CC(O)=CC(O)=C1	InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+
HMDB32658	7-Chloro-3,3',4',5,6,8-hexamethoxyflavone	COC1=CC=C(C=C1OC)C1=C(OC)C(=O)C2=C(O1)C(OC)=C(Cl)C(OC)=C2OC	InChI=1S/C21H21ClO8/c1-24-11-8-7-10(9-12(11)25-2)16-21(29-6)15(23)13-17(26-3)19(27-4)14(22)20(28-5)18(13)30-16/h7-9H,1-6H3
HMDB32659	4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one	COC1=CC2=C3OC(=O)C=C(O)C3=CC=C2O1	InChI=1S/C12H8O5/c1-15-11-4-7-9(16-11)3-2-6-8(13)5-10(14)17-12(6)7/h2-5,13H,1H3
HMDB39608	Gigantetronenin	CCCCCCCCCCCC\C=C\CCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-16-17-20-31(38)28-30-27-29(2)43-37(30)42/h14-15,27,29,31-36,38-41H,3-13,16-26,28H2,1-2H3/b15-14+
HMDB39609	Curcumin III	OC1=CC=C(C\C=C\C(=O)CC(=O)\C=C/CC2=CC=C(O)C=C2)C=C1	InChI=1S/C21H20O4/c22-18-11-7-16(8-12-18)3-1-5-20(24)15-21(25)6-2-4-17-9-13-19(23)14-10-17/h1-2,5-14,22-23H,3-4,15H2/b5-1-,6-2+
HMDB37518	1,3,5-Triphenylcyclohexane	C1C(CC(CC1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
HMDB37519	2-(5,8-Tetradecadienyl)cyclobutanone	CCCCC\C=C\C\C=C\CCCCC1CCC1=O	InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6+,10-9+
HMDB37510	Furcelleran	CCOC(=O)C1=C(C)NC(C2=CC=CC=C2)=C(C1C#CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1	InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3
HMDB37511	Butyl oleate sulfate	CCCCOC(=O)CCCCCCC\C=C\CCCCCCCCOS(O)(=O)=O	InChI=1S/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+
HMDB37512	C.I. Food Brown 3	OCC1=CC(\N=N\C2=C3C=CC=CC3=C(C=C2)S(O)(=O)=O)=C(O)C(\N=N\C2=CC=C(C3=C2C=CC=C3)S(O)(=O)=O)=C1O	InChI=1S/C27H20N4O9S2/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40)/b30-28+,31-29+
HMDB37513	C.I. Natural green 5	CCC1=C(C)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2.CCC1=C(C=O)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2	InChI=1S/C34H34N4O7.C34H36N4O6.2Cu/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;/q;;2*+2/p-4
HMDB37514	2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl)thiazole	CCC(C)C1SC(C)C(C)=N1	InChI=1S/C9H17NS/c1-5-6(2)9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3
HMDB37515	Hexabromodiphenyl ethers	BrC1=CC(Br)=C(OC2=CC(Br)=CC(Br)=C2Br)C(Br)=C1	InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4H
HMDB37516	Pentabromodiphenyl ethers	BrC1=CC=C(OC2=C(Br)C=C(Br)C(Br)=C2)C(Br)=C1	InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H
HMDB37517	2-Tetradecylcyclobutanone	CCCCCCCCCCCCCCC1CCC1=O	InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h17H,2-16H2,1H3
HMDB30726	2-Hydroxy-6,7-dimethoxybenzoxazole	COC1=CC=C2NC(=O)OC2=C1OC	InChI=1S/C9H9NO4/c1-12-6-4-3-5-7(8(6)13-2)14-9(11)10-5/h3-4H,1-2H3,(H,10,11)
HMDB30727	Betagarin	COC1=CC=CC=C1C1CC(=O)C2=C(OC)C3=C(OCO3)C=C2O1	InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3
HMDB30724	Euxanthone	OC1=CC2=C(OC3=C(C(O)=CC=C3)C2=O)C=C1	InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6,14-15H
HMDB30725	Dillapiol	COC1=C(OC)C(CC=C)=CC2=C1OCO2	InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
HMDB30722	3,5-Dihydroxystilbene; (E)-form, Di-Me ether	COC1=CC(\C=C/C2=CC=CC=C2)=CC(OC)=C1	InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8-
HMDB30723	1,5-Dihydroxyxanthone	OC1=CC=CC2=C1OC1=C(C(O)=CC=C1)C2=O	InChI=1S/C13H8O4/c14-8-4-2-6-10-11(8)12(16)7-3-1-5-9(15)13(7)17-10/h1-6,14-15H
HMDB30720	Trigraecum	COC1=CC2=C(OC(=CC2=O)C2=CC=CC=C2)C=C1O	InChI=1S/C16H12O4/c1-19-16-7-11-12(17)8-14(10-5-3-2-4-6-10)20-15(11)9-13(16)18/h2-9,18H,1H3
HMDB30721	Isocarlinoside	OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C(O)=C1	InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)16-20(35)15(25-22(37)17(32)11(31)6-39-25)19(34)14-10(30)4-12(40-24(14)16)7-1-2-8(28)9(29)3-7/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2
HMDB40952	Medicoside E	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-35(57)33(55)31(53)26(19-49)62-40)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-38-36(58)37(24(51)20-60-38)64-39-34(56)32(54)30(52)25(18-48)61-39/h7,23-40,48-58H,8-21H2,1-6H3
HMDB40953	Tussilagone	CC\C(C)=C\C(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)OC(C)=O)C1=C	InChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+
HMDB40950	Capsicoside C3	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(52)33(50)37(29(16-46)58-40)59-41-36(53)38(32(49)28(15-45)57-41)60-39-34(51)31(48)26(47)18-54-39/h5,19-20,22-41,45-53H,6-18H2,1-4H3
HMDB40951	Medicoside F	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-39-36(58)34(56)32(54)26(19-49)62-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(30(52)24(51)20-60-40)64-38-35(57)33(55)31(53)25(18-48)61-38/h7,23-40,48-58H,8-21H2,1-6H3
HMDB40956	4,9-Dihydroxy-10(14)-oplopen-3-one; (4S,9a)-form, 9-(3-Methyl-2E-butenoyl), 4-Ac	CC(C)C1CC(OC(=O)C=C(C)C)C(=C)C2CC(=O)C(C(C)OC(C)=O)C12	InChI=1S/C22H32O5/c1-11(2)8-20(25)27-19-10-16(12(3)4)22-17(13(19)5)9-18(24)21(22)14(6)26-15(7)23/h8,12,14,16-17,19,21-22H,5,9-10H2,1-4,6-7H3
HMDB40957	Talinumoside I	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C43H66O16/c1-38(2)23-10-13-42(6)24(40(23,4)12-11-25(38)57-35-31(50)28(47)29(48)32(58-35)33(51)52)9-8-20-21-18-39(3,36(53)55-7)14-16-43(21,17-15-41(20,42)5)37(54)59-34-30(49)27(46)26(45)22(19-44)56-34/h8,21-32,34-35,44-50H,9-19H2,1-7H3,(H,51,52)
HMDB30728	8-Methoxygravelliferone	COC1=C2OC(=O)C(=CC2=CC(CC=C(C)C)=C1O)C(C)(C)C=C	InChI=1S/C20H24O4/c1-7-20(4,5)15-11-14-10-13(9-8-12(2)3)16(21)18(23-6)17(14)24-19(15)22/h7-8,10-11,21H,1,9H2,2-6H3
HMDB30729	Gravelliferone	CC(C)=CCC1=C(O)C=C2OC(=O)C(=CC2=C1)C(C)(C)C=C	InChI=1S/C19H22O3/c1-6-19(4,5)15-10-14-9-13(8-7-12(2)3)16(20)11-17(14)22-18(15)21/h6-7,9-11,20H,1,8H2,2-5H3
HMDB12948	Formyl-5-hydroxykynurenamine	NCCC(=O)C1=C(NC=O)C=CC(O)=C1	InChI=1S/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)
HMDB54068	TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,38,41,47,50,64H,4-15,17,20,22-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,41-38-,50-47-
HMDB59459	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,43-49,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,11-12,15-20,24,28-32,40-42,50-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59458	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,49-50,53-54,61,65,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-48,51-52,55-60,62-64,66-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,53-49-,54-50-,65-61-/t83?,84-,85-/m1/s1
HMDB59455	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,53-54,56-58,60,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-52,55,59,61-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-/t87?,88-,89-/m1/s1
HMDB59454	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,43-49,53-54,56-58,60,68,72,87-89,94H,5-8,11-12,15-20,24,28-32,40-42,50-52,55,59,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB59457	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-44,46,49-50,53-54,61,65,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,45,47-48,51-52,55-60,62-64,66-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,46-36-,53-49-,54-50-,65-61-/t83?,84-,85-/m1/s1
HMDB59456	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,53-54,56-58,60,68,72,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-52,55,59,61-67,69-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,72-68-/t87?,88-,89-/m1/s1
HMDB59451	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,49-50,53-54,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-48,51-52,55-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,53-49-,54-50-/t84-,85-/m1/s1
HMDB59450	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,66,68,70,72,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-52,55,59,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59453	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-47,50-52,54-56,62,66,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,48-49,53,57-61,63-65,67-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,54-50-,55-51-,56-52-,66-62-/t85?,86-,87-/m1/s1
HMDB59452	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,50-51,54-55,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-49,52-53,56-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,54-50-,55-51-/t84?,85-,86-/m1/s1
HMDB54183	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,43,46,59H,4-6,8-9,11-15,18,22-23,27,31-32,38-42,44-45,47-58H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,46-43-
HMDB54063	TG(20:4(5Z,8Z,11Z,14Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,60H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB54062	TG(20:4(5Z,8Z,11Z,14Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,44,47,60H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB43427	TG(15:0/18:3(6Z,9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,53H,4-16,18-19,21-25,27-28,30-34,36-37,39-52H2,1-3H3/b20-17-,29-26-,38-35-
HMDB43426	TG(15:0/18:3(6Z,9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,51H,4-16,18-19,21-25,27,29-32,34-35,37-50H2,1-3H3/b20-17-,28-26-,36-33-
HMDB43425	TG(15:0/18:3(6Z,9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,31,34,49H,4-15,17-18,20-24,27-30,32-33,35-48H2,1-3H3/b19-16-,26-25-,34-31-
HMDB43424	TG(15:0/18:3(6Z,9Z,12Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h16,19,25-26,30,33,48H,4-15,17-18,20-24,27-29,31-32,34-47H2,1-3H3/b19-16-,26-25-,33-30-
HMDB43423	TG(15:0/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-24-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,53H,4-18,20-21,23-26,28,30-52H2,1-3H3/b22-19-,29-27-
HMDB43422	TG(15:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,34,37,43,46,56H,4-6,8-9,11-15,17-18,21-22,24,26,29,33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,37-34-,46-43-
HMDB43421	TG(15:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,34,37,56H,4-6,8-9,11-15,17-18,21-22,24,26,29,33,35-36,38-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,37-34-
HMDB43420	TG(15:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,38,41,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-28-,32-31-,41-38-
HMDB54067	TG(20:4(5Z,8Z,11Z,14Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-16,19,22-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB43429	TG(15:0/18:3(6Z,9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20,26,33,39,42,57H,4-16,18-19,21-25,27-32,34-38,40-41,43-56H2,1-3H3/b20-17-,33-26-,42-39-
HMDB12947	Ferrocytochrome	CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C)C8=[N]7[Fe--]4(N2C1=C8)N56)C(C)=C3CCC(O)=O	InChI=1S/C33H34N4O4.Fe/c1-7-21-18(4)26-13-28-20(6)23(9-11-33(40)41)31(37-28)15-30-22(8-10-32(38)39)19(5)27(36-30)12-24-16(2)17(3)25(34-24)14-29(21)35-26;/h7,12-15H,1,8-11H2,2-6H3,(H4,34,35,36,37,38,39,40,41);/p-2/b24-12-,25-14?,26-13-,27-12-,28-13-,29-14?,30-15-,31-15-;
HMDB35267	3-Hydroxy-13(18)-oleanen-28-oic acid; 3b-form, Ac, Me ester	COC(=O)C12CCC(C)(C)CC1=C1CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2	InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h24-26H,10-20H2,1-9H3
HMDB02128	2,4-Diamino-6-hydroxypyrimidine	NC1=CC(=O)N=C(N)N1	InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
HMDB02124	Apigenin	OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
HMDB42807	TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,34,36-37,39,52H,4-6,9,12-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB02121	Carnosol	[H][C@@]12C[C@@H]3OC(=O)[C@@]1(CCCC2(C)C)C1=C(O)C(O)=C(C=C31)C(C)C	InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
HMDB42804	TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,32,35,50H,4-6,9,12-15,18,21-23,28-31,33-34,36-49H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,35-32-
HMDB02120	Monoethyl phthalate	CCOC(=O)C1=CC=CC=C1C(O)=O	InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
HMDB38269	2-Hexenoic acid, 9CI; (E)-form, Hexyl ester	CCCCCCOC(=O)\C=C\CCC	InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h8,10H,3-7,9,11H2,1-2H3/b10-8+
HMDB38268	Allyl hexenoate	CCC\C=C\C(=O)OCC=C	InChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h4,6-7H,2-3,5,8H2,1H3/b7-6+
HMDB38263	3,3',4',5,6,7-Hexahydroxyflavone; 4',7-Di-Me ether, 3-O-b-D-glucuronopyranoside	COC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O2)C1=CC(O)=C(OC)C=C1	InChI=1S/C23H22O14/c1-33-9-4-3-7(5-8(9)24)19-20(36-23-18(30)16(28)17(29)21(37-23)22(31)32)15(27)12-10(35-19)6-11(34-2)13(25)14(12)26/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)
HMDB38262	3,3',4',5,6,7-Hexahydroxyflavone; 3',7-Di-Me ether, 3-O-b-D-glucuronopyranoside	COC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O2)C1=CC(OC)=C(O)C=C1	InChI=1S/C23H22O14/c1-33-9-5-7(3-4-8(9)24)19-20(36-23-18(30)16(28)17(29)21(37-23)22(31)32)15(27)12-10(35-19)6-11(34-2)13(25)14(12)26/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)
HMDB38261	Syringaresinol; (+)-form, 7-Epimer, 4'-O-b-D-glucopyranoside	COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1	InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3
HMDB38260	Geranyl 2-methylpropanoate	CC(C)C(=O)OC\C=C(\C)CCC=C(C)C	InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-
HMDB38267	7,7-Diethoxy-3-heptene	CCOC(CC\C=C/CC)OCC	InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7-
HMDB38266	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3',4'-di-Me ether, 3-O-b-D-glucuronopyranoside	COC1=C(OC)C=C(C=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O1)C=C1OCOC1=C2O	InChI=1S/C24H22O14/c1-32-9-4-3-8(5-10(9)33-2)19-21(37-24-18(29)16(27)17(28)22(38-24)23(30)31)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)
HMDB38265	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 4'-Me ether, 3-O-b-D-glucuronopyranoside	COC1=C(O)C=C(C=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O1)C=C1OCOC1=C2O	InChI=1S/C23H20O14/c1-32-9-3-2-7(4-8(9)24)18-20(36-23-17(29)15(27)16(28)21(37-23)22(30)31)14(26)12-10(35-18)5-11-19(13(12)25)34-6-33-11/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)
HMDB38264	3,3',4',5,6,7-Hexahydroxyflavone; 3',4',7-Tri-Me ether, 3-O-b-D-glucuronopyranoside	COC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O2)C1=CC(OC)=C(OC)C=C1	InChI=1S/C24H24O14/c1-33-9-5-4-8(6-10(9)34-2)20-21(37-24-19(30)17(28)18(29)22(38-24)23(31)32)16(27)13-11(36-20)7-12(35-3)14(25)15(13)26/h4-7,17-19,22,24-26,28-30H,1-3H3,(H,31,32)
HMDB42800	TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-
HMDB42801	TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,36,39,54H,4-7,9-10,12-15,18,21-23,27-29,31-35,37-38,40-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-,39-36-
HMDB02780	Catechin	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
HMDB36391	alpha-Methylphenethyl butyrate	CCCC(=O)OC(C)CC1=CC=CC=C1	InChI=1S/C13H18O2/c1-3-7-13(14)15-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
HMDB36390	3-Phenylpropyl hexanoate	CCCCCC(=O)OCCCC1=CC=CC=C1	InChI=1S/C15H22O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3
HMDB36392	(Z)-alpha-Bergamotenoic acid	C\C(=C/CCC1(C)C2CC1C(C)=CC2)C(O)=O	InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5+
HMDB36395	2-Methylpropyl 3-oxobutanoate	CC(C)COC(=O)CC(C)=O.CC(C)COC(=O)CC(O)=C	InChI=1S/2C8H14O3/c2*1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3;6,9H,3-5H2,1-2H3
HMDB36394	N-Methylcalystegine C1	CN1C2C(O)CC1(O)C(O)C(O)C2O	InChI=1S/C8H15NO5/c1-9-4-3(10)2-8(9,14)7(13)6(12)5(4)11/h3-7,10-14H,2H2,1H3
HMDB36397	Labadoside	CC(=O)C1=C(O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=CC=C2C(=C1C)C1=C(C)C(C(C)=O)=C(O)C2=C1C=CC=C2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C38H42O16/c1-13-23(15(3)41)31(45)27-17(7-5-9-19(27)51-37-35(49)33(47)29(43)21(11-39)53-37)25(13)26-14(2)24(16(4)42)32(46)28-18(26)8-6-10-20(28)52-38-36(50)34(48)30(44)22(12-40)54-38/h5-10,21-22,29-30,33-40,43-50H,11-12H2,1-4H3/t21-,22-,29-,30-,33+,34+,35-,36-,37-,38-/m1/s1
HMDB36396	3-Methylbutyl 3-oxobutanoate	CC(C)CCOC(=O)CC(C)=O.CC(C)CCOC(=O)CC(O)=C	InChI=1S/2C9H16O3/c2*1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3;7,10H,3-6H2,1-2H3
HMDB36399	2',7-Dihydroxy-4'-methoxy-8-prenylflavan	COC1=CC=C(C2CCC3=CC=C(O)C(CC=C(C)C)=C3O2)C(O)=C1	InChI=1S/C21H24O4/c1-13(2)4-8-17-18(22)10-5-14-6-11-20(25-21(14)17)16-9-7-15(24-3)12-19(16)23/h4-5,7,9-10,12,20,22-23H,6,8,11H2,1-3H3
HMDB36398	Rumexoside	CC(=O)C1=C(C)C=C2C=C(C=C(OC3OC(CO)C(O)C(O)C3O)C2=C1O)C(O)=O	InChI=1S/C20H22O10/c1-7-3-9-4-10(19(27)28)5-11(14(9)16(24)13(7)8(2)22)29-20-18(26)17(25)15(23)12(6-21)30-20/h3-5,12,15,17-18,20-21,23-26H,6H2,1-2H3,(H,27,28)
HMDB34722	3-Hydroxy-1,10-bisaboladien-9-one	CC(CC(=O)C=C(C)C)C1CCC(C)(O)C=C1	InChI=1S/C15H24O2/c1-11(2)9-14(16)10-12(3)13-5-7-15(4,17)8-6-13/h5,7,9,12-13,17H,6,8,10H2,1-4H3
HMDB34723	Encelin	CC12CC3OC(=O)C(=C)C3CC1C(=C)C(=O)C=C2	InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3
HMDB34720	Gingerenone C	COC1=C(O)C=CC(CCC(=O)\C=C\CCC2=CC=C(O)C=C2)=C1	InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3/b5-3+
HMDB34721	Procurcumadiol	CC(C)=C1CC2(O)C(CCC2(C)O)C(C)=CC1=O	InChI=1S/C15H22O3/c1-9(2)11-8-15(18)12(5-6-14(15,4)17)10(3)7-13(11)16/h7,12,17-18H,5-6,8H2,1-4H3
HMDB34726	Momordicinin	CC1CCC23COC4(C=CC5C6(C)CCC(=O)C(C)(C)C6CCC5(C)C4(C)CC2)C3C1C	InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3
HMDB34725	3,4',5,6,7-Pentahydroxyflavone; 7-O-b-D-Allopyranoside	OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O12/c22-6-11-14(25)17(28)19(30)21(33-11)32-10-5-9-12(15(26)13(10)24)16(27)18(29)20(31-9)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-26,28-30H,6H2
HMDB34729	(E,E)-2,4-Hexadienal	C\C=C\C=C/C=O	InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4-
HMDB34898	3,3-Dichloro-4-(dichloromethylene)-2,5-pyrrolidinedione	ClC(Cl)=C1C(=O)NC(=O)C1(Cl)Cl	InChI=1S/C5HCl4NO2/c6-2(7)1-3(11)10-4(12)5(1,8)9/h(H,10,11,12)
HMDB34899	1,1'-Ethylidenebistryptophan	CC(N1C=C(CC(N)C(O)=O)C2=C1C=CC=C2)N1C=C(CC(N)C(O)=O)C2=C1C=CC=C2	InChI=1S/C24H26N4O4/c1-14(27-12-15(10-19(25)23(29)30)17-6-2-4-8-21(17)27)28-13-16(11-20(26)24(31)32)18-7-3-5-9-22(18)28/h2-9,12-14,19-20H,10-11,25-26H2,1H3,(H,29,30)(H,31,32)
HMDB58490	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-38,40-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34,39,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,40-35-,41-36-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB58491	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-38,41-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,39-40,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB58496	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-35,37,39-42,46,50,58,62,79-81,86H,5-20,22-24,26-32,36,38,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58497	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-36,38-41,45,48,56,60,77-79,84H,5-20,22-24,26-27,29-31,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58494	CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-38,40,42-45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB58495	CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33-36,38-41,45,48,56,60,77-79,84H,5-20,22-24,26-32,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB34890	Bis(4-isothiocyanatobutyl) disulfide	S=C=NCCCCSSCCCCN=C=S	InChI=1S/C10H16N2S4/c13-9-11-5-1-3-7-15-16-8-4-2-6-12-10-14/h1-8H2
HMDB34891	3,5-Dimethyl-2-vinylpyrazine	CC1=CN=C(C=C)C(C)=N1	InChI=1S/C8H10N2/c1-4-8-7(3)10-6(2)5-9-8/h4-5H,1H2,2-3H3
HMDB34892	3-Ethyl-5-methyl-2-vinylpyrazine	CCC1=NC(C)=CN=C1C=C	InChI=1S/C9H12N2/c1-4-8-9(5-2)11-7(3)6-10-8/h4,6H,1,5H2,2-3H3
HMDB34893	2-Pentylpyridine	CCCCCC1=NC=CC=C1	InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
HMDB34894	2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine	OCC(O)C(O)CC1=NC(=CN=C1)C(O)C(O)C(O)CO	InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2
HMDB34895	3-(Dichloromethylene)-2,5-pyrrolidinedione	ClC(Cl)=C1CC(=O)NC1=O	InChI=1S/C5H3Cl2NO2/c6-4(7)2-1-3(9)8-5(2)10/h1H2,(H,8,9,10)
HMDB34896	3-Mercapto-2-pentanone	CCC(S)C(C)=O	InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3
HMDB34897	3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione	ClC1C(=O)NC(=O)C1=C(Cl)Cl	InChI=1S/C5H2Cl3NO2/c6-2-1(3(7)8)4(10)9-5(2)11/h2H,(H,9,10,11)
HMDB15437	Saprisartan	CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O	InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)
HMDB15436	Quinidine barbiturate	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C	InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)
HMDB15435	Polystyrene sulfonate	<smiles/>	InChI=1S/C8H8O3S.Ca/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+2/p-1
HMDB15434	Forasartan	CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1	InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
HMDB15433	Cilazapril	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O	InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1
HMDB15432	Vecuronium	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1	InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
HMDB15431	Pipecuronium	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1	InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
HMDB15430	Pancuronium	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1	InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
HMDB15439	Tasosartan	CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1	InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)
HMDB15438	Spirapril	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2	InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1
HMDB50524	TG(20:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB50525	TG(20:1(11Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,32,35,40,43,62H,4-6,8-9,11-15,17-18,20-24,31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,35-32-,43-40-
HMDB50528	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,36,39,45,48,60H,4-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b28-25-,29-26-,30-27-,39-36-,48-45-
HMDB50529	TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,34,36-37,39,43,45-46,48,60H,4-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB11408	PE(P-18:1(11Z)/18:1(9Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,33,36,40H,3-12,14,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,20-18-,36-33-/t40-/m1/s1
HMDB11409	PE(P-18:1(11Z)/18:2(9Z,12Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,33,36,40H,3-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,36-33-/t40-/m1/s1
HMDB11406	PE(P-18:1(11Z)/18:0)	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36,40H,3-12,14,16-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,36-33-/t40-/m1/s1
HMDB11407	PE(P-18:1(11Z)/18:1(11Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36,40H,3-12,17-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,16-14-,36-33-/t40-/m1/s1
HMDB11404	PE(P-18:1(11Z)/16:0)	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1
HMDB11405	PE(P-18:1(11Z)/16:1(9Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13-16,31,34,38H,3-12,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,16-14-,34-31-/t38-/m1/s1
HMDB11402	PE(P-18:1(11Z)/14:1(9Z))	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12-13,15,29,32,36H,3-9,11,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,15-13-,32-29-/t36-/m1/s1
HMDB11403	PE(P-18:1(11Z)/15:0)	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39)46-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,30,33,37H,3-12,14,16-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b15-13-,33-30-/t37-/m1/s1
HMDB11401	PE(P-18:1(11Z)/14:0)	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h13,15,29,32,36H,3-12,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b15-13-,32-29-/t36-/m1/s1
HMDB29958	Asitribin	CCCCCCC(O)CCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
HMDB52728	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h14,16-17,19,21,23-26,28,30,32-33,35,39,42,48,51,60H,4-13,15,18,20,22,27,29,31,34,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,33-32-,35-30-,42-39-,51-48-
HMDB52729	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-36,39-40,43,49,52,61H,4-15,18,22-23,27,31,33,37-38,41-42,44-48,50-51,53-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,52-49-
HMDB52726	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28-30,32-35,39,42,48,51,60H,4-15,17-18,22,26-27,31,36-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,33-32-,34-29-,35-30-,42-39-,51-48-
HMDB52727	TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-29,31-34,38-39,41-42,47,50,59H,4-15,17,22,24,26,30,35-37,40,43-46,48-49,51-58H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,42-39-,50-47-
HMDB52724	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,41-42,44-45,50,53,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-40,43,46-49,51-52,54-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-,53-50-
HMDB52725	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-34,38,41,60H,4-15,17-18,21-22,24,26-27,30-31,35-37,39-40,42-59H2,1-3H3/b19-16-,23-20-,28-25-,33-32-,34-29-,41-38-
HMDB52722	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-36,39-40,43,45,48,61H,4-7,9-10,12-15,18,22-23,27,31,33,37-38,41-42,44,46-47,49-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-
HMDB52723	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,41-42,44-45,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-40,43,46-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-
HMDB52720	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-34,38-39,41-42,59H,4-8,10-11,13-15,17,22,24,26,30,35-37,40,43-58H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-,42-39-
HMDB52721	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-30,32,34-36,39-40,43,61H,4-7,9-10,12-15,18,22-23,27,31,33,37-38,41-42,44-60H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-
HMDB14474	Ethambutol	CC[C@@H](CO)NCCN[C@@H](CC)CO	InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
HMDB14476	Ipratropium bromide	[Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N@+]2(C)C(C)C	InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;
HMDB14477	Methadone	CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
HMDB14470	Nitroprusside	O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N	InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
HMDB14471	Calcium Gluceptate	[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O	InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1
HMDB14472	Hydromorphone	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1
HMDB14473	Indomethacin	COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O	InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
HMDB34230	Mesifurane	COC1=C(C)OC(C)C1=O	InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3
HMDB29953	D-erythro-D-galacto-octitol	OCC(O)C(O)C(O)C(O)C(O)C(O)CO	InChI=1S/C8H18O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3-16H,1-2H2
HMDB29952	D-altro-D-manno-Heptose	OCC(O)C(O)C(O)C(O)C(O)C=O.OCC(O)C(O)C1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C(O)C1O	InChI=1S/3C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6;8-1-2(9)3(10)6-4(11)5(12)7(13)14-6;8-1-3(10)5(12)7(14)6(13)4(11)2-9/h2*2-13H,1H2;1,3-7,9-14H,2H2
HMDB29951	45,46,47-Trinoryessotoxin	CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C=C	InChI=1S/C52H78O21S2/c1-9-10-13-48(4,54)47-27(3)18-36-35(68-47)24-43-52(8,71-36)46(53)45-39(67-43)22-38-44(69-45)26(2)11-14-50(6)41(66-38)25-40-51(7,73-50)15-12-28-29(65-40)19-31-30(62-28)20-32-33(63-31)21-37-34(64-32)23-42(72-75(58,59)60)49(5,70-37)16-17-61-74(55,56)57/h9-10,13,26,28-47,53-54H,1,3,11-12,14-25H2,2,4-8H3,(H,55,56,57)(H,58,59,60)/b13-10+
HMDB29950	Punicafolin	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC(C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)64-33-23-9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(8-22(49)30(54)32(25)56)40(61)65-34(33)35(66-37(58)11-3-17(44)27(51)18(45)4-11)41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12/h1-8,23,33-35,41-56H,9H2
HMDB29957	Squamocin K	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O6/c1-3-4-5-6-7-11-14-17-20-29(36)31-22-24-33(40-31)34-25-23-32(41-34)30(37)21-18-15-12-9-8-10-13-16-19-28-26-27(2)39-35(28)38/h26-27,29-34,36-37H,3-25H2,1-2H3
HMDB29956	Nebularine	OCC1OC(C(O)C1O)N1C=NC2=C1N=CN=C2	InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2
HMDB52094	TG(24:1(15Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,37,63H,4-20,22-23,27,31-36,38-62H2,1-3H3/b24-21-,28-25-,29-26-,37-30-
HMDB52095	TG(24:1(15Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,42,45,62H,4-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,45-42-
HMDB52096	TG(24:1(15Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,63H,4-14,16-17,19-23,30-62H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB52097	TG(24:1(15Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,41,64H,4-16,18-19,21-24,31-37,39-40,42-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-
HMDB52090	TG(24:1(15Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34,36,38,41,44,64H,4-7,9-10,12-16,18-19,21-24,30-33,35,37,39-40,42-43,45-63H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,36-34-,38-27-,44-41-
HMDB29955	D-erythro-L-galacto-Nonulose	OCC(O)C(O)C(O)C(O)C(O)C(O)C(=O)CO.OCC(O)C(O)C(O)C1OC(O)(CO)C(O)C1O.OCC(O)C(O)C1OC(O)(CO)C(O)C(O)C1O	InChI=1S/3C9H18O9/c10-1-3(12)4(13)7-5(14)6(15)8(16)9(17,2-11)18-7;10-1-3(12)4(13)5(14)7-6(15)8(16)9(17,2-11)18-7;10-1-3(12)5(14)7(16)9(18)8(17)6(15)4(13)2-11/h2*3-8,10-17H,1-2H2;3,5-12,14-18H,1-2H2
HMDB52092	TG(24:1(15Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h25,27-28,35,61H,4-24,26,29-34,36-60H2,1-3H3/b28-25-,35-27-
HMDB52093	TG(24:1(15Z)/20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-
HMDB29954	D-glycero-L-galacto-Octulose	OCC(O)C(O)C(O)C(O)C(O)C(=O)CO.OCC(O)C(O)C1OC(O)(CO)C(O)C1O.OCC(O)C1OC(O)(CO)C(O)C(O)C1O	InChI=1S/3C8H16O8/c9-1-3(11)6-4(12)5(13)7(14)8(15,2-10)16-6;9-1-3(11)4(12)6-5(13)7(14)8(15,2-10)16-6;9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h2*3-7,9-15H,1-2H2;3,5-11,13-16H,1-2H2
HMDB52098	TG(24:1(15Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,41,47,50,64H,4-16,18-19,21-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB52099	TG(24:1(15Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,66H,4-16,18-19,21-24,31-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-
HMDB13299	Pentadecanol	CCCCCCCCCCCCCCCO	InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
HMDB13292	p-Methylhippuric acid	CC1=CC=C(C=C1)C(=O)NCC(O)=O	InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
HMDB13297	Pentacosanoylglycine	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C27H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28-25-27(30)31/h2-25H2,1H3,(H,28,29)(H,30,31)
HMDB47246	TG(24:0/18:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h15,18,25,32,56H,4-14,16-17,19-24,26-31,33-55H2,1-3H3/b18-15-,32-25-
HMDB56082	DG(20:0/0:0/18:4n3)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,25,27,39,42H,3-5,7,9-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3/b8-6-,14-12-,21-18-,27-25-
HMDB59228	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,41-44,49-50,53-54,61-62,65-66,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB13129	Glutaconylcarnitine	OC(=O)C\C=C\C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C12H19NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h4,6,9H,5,7-8H2,1-3H3,(H-,14,15,16,17)/b6-4+/t9-/m0/s1
HMDB13128	Valerylcarnitine	CCCCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
HMDB13127	Hydroxybutyrylcarnitine	CC(O)CC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m0/s1
HMDB13126	Butenylcarnitine	C\C=C\C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+/t9-/m0/s1
HMDB13125	Hydroxypropionylcarnitine	C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CCO	InChI=1S/C10H19NO5/c1-11(2,3)7-8(6-9(13)14)16-10(15)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
HMDB13124	Propenoylcarnitine	C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)C=C	InChI=1S/C10H17NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1
HMDB13122	LysoPC(P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h20,22,26,28H,5-19,21,23-25H2,1-4H3/b22-20-/t26-/m1/s1
HMDB13121	7-Dehydropregnenolone	CC(=O)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17?,18?,19?,20-,21+/m0/s1
HMDB48639	TG(16:1(9Z)/18:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h21,24-27,33,58H,4-20,22-23,28-32,34-57H2,1-3H3/b24-21-,27-25-,33-26-
HMDB12458	7 alpha-Hydroxy-3-oxo-4-cholestenoate	C[C@H](CCCC(C)C(O)=O)C1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20?,21?,22?,23-,24?,26+,27-/m1/s1
HMDB12459	7 alpha,26-Dihydroxy-4-cholesten-3-one	CC(CO)CCC[C@@H](C)C1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21?,22?,23?,24-,25?,26+,27-/m1/s1
HMDB07771	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27-28,30-31,33,41,44H,3-4,6,8-10,15-16,20,24,26,29,32,34-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m0/s1
HMDB07770	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,31,33,41,44H,3-4,6,8-10,15-16,20,24,26,28-30,32,34-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1
HMDB07777	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,26-29,32-35,43,46H,3-4,6,8-10,12,14-16,21,23,25,30-31,36-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m0/s1
HMDB07776	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,33,35,43,46H,3-4,6,8-10,15-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1
HMDB07775	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,33,35,43,46H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t43-/m0/s1
HMDB07774	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,33,35,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,29-27-,35-33-/t43-/m0/s1
HMDB12450	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C50H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,46-47H,3-4,9-10,15-16,21-22,27-28,33-34,39-45,51H2,1-2H3,(H,54,55)(H,56,57)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t46-,47+/m1/s1
HMDB12451	all-trans-5,6-Epoxyretinoic acid	C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(O)=O	InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6+,13-10+,15-8+,16-14+
HMDB12452	all-trans-18-Hydroxyretinoic acid	C\C(\C=C\C1=C(CO)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O	InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+
HMDB12453	3 beta-Hydroxy-5-cholestenoate	C[C@H](CCCC(C)C(O)=O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21?,22?,23?,24?,26+,27-/m1/s1
HMDB12454	3 beta,7 alpha-Dihydroxy-5-cholestenoate	C[C@H](CCCC(C)C(O)=O)C1CCC2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20?,21?,22?,23-,24?,26+,27-/m1/s1
HMDB12455	3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane	CC(CO)CCC[C@@H](C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19?,20-,21?,22?,23?,24-,25?,26+,27-/m1/s1
HMDB12456	3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA	[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25?,26?,27-,28+,29?,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1
HMDB12457	7 alpha,24-Dihydroxy-4-cholesten-3-one	CC(C)C(O)CC[C@@H](C)C1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20?,21?,22?,23?,24-,25?,26+,27-/m1/s1
HMDB12988	Kinetensin	CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(O)=O	InChI=1S/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/t32-,33+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1
HMDB12986	Kinetensin 4-7	N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C26H37N9O6/c27-18(3-1-9-31-26(28)29)22(37)33-19(12-16-13-30-14-32-16)24(39)35-10-2-4-21(35)23(38)34-20(25(40)41)11-15-5-7-17(36)8-6-15/h5-8,13-14,18-21,36H,1-4,9-12,27H2,(H,30,32)(H,33,37)(H,34,38)(H,40,41)(H4,28,29,31)/t18-,19+,20-,21-/m1/s1
HMDB12987	Kinetensin 4-8	N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C35H46N10O7/c36-25(8-4-14-40-35(37)38)30(47)43-27(18-23-19-39-20-41-23)33(50)45-15-5-9-29(45)32(49)42-26(16-22-10-12-24(46)13-11-22)31(48)44-28(34(51)52)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,19-20,25-29,46H,4-5,8-9,14-18,36H2,(H,39,41)(H,42,49)(H,43,47)(H,44,48)(H,51,52)(H4,37,38,40)/t25-,26-,27+,28+,29-/m1/s1
HMDB12984	Kinetensin 1-7	CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C41H65N15O9/c1-4-22(2)32(42)37(62)51-23(3)33(58)52-27(8-5-15-48-40(43)44)34(59)53-28(9-6-16-49-41(45)46)35(60)54-29(19-25-20-47-21-50-25)38(63)56-17-7-10-31(56)36(61)55-30(39(64)65)18-24-11-13-26(57)14-12-24/h11-14,20-23,27-32,57H,4-10,15-19,42H2,1-3H3,(H,47,50)(H,51,62)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,64,65)(H4,43,44,48)(H4,45,46,49)/t22-,23+,27-,28+,29+,30-,31-,32-/m1/s1
HMDB12985	Kinetensin 1-8	CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C50H74N16O10/c1-4-28(2)40(51)46(73)60-29(3)41(68)61-34(13-8-20-57-49(52)53)42(69)62-35(14-9-21-58-50(54)55)43(70)64-37(25-32-26-56-27-59-32)47(74)66-22-10-15-39(66)45(72)63-36(23-31-16-18-33(67)19-17-31)44(71)65-38(48(75)76)24-30-11-6-5-7-12-30/h5-7,11-12,16-19,26-29,34-40,67H,4,8-10,13-15,20-25,51H2,1-3H3,(H,56,59)(H,60,73)(H,61,68)(H,62,69)(H,63,72)(H,64,70)(H,65,71)(H,75,76)(H4,52,53,57)(H4,54,55,58)/t28-,29+,34-,35+,36+,37-,38-,39+,40-/m1/s1
HMDB12983	Kinetensin 1-3	CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(O)=O	InChI=1S/C15H30N6O4/c1-4-8(2)11(16)13(23)20-9(3)12(22)21-10(14(24)25)6-5-7-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/t8-,9-,10+,11-/m0/s1
HMDB59225	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65,68-69,72,87-89,94H,5-9,11-13,15-20,24,28-32,36,40-42,49-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB48590	TG(16:1(9Z)/16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19-24,50H,4-18,25-49H2,1-3H3/b22-19-,23-20-,24-21-
HMDB00202	Methylmalonic acid	CC(C(O)=O)C(O)=O	InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
HMDB00201	L-Acetylcarnitine	CC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3
HMDB00206	N6-Acetyl-L-lysine	CC(=O)NCCCC[C@H](N)C(O)=O	InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
HMDB00207	Oleic acid	CCCCCCCC\C=C/CCCCCCCC(O)=O	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
HMDB00205	Phenylpyruvic acid	OC(=O)C(=O)CC1=CC=CC=C1	InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
HMDB11182	5beta-Cholestanone	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
HMDB00208	Oxoglutaric acid	OC(=O)CCC(=O)C(O)=O	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
HMDB00209	Phenylacetic acid	OC(=O)CC1=CC=CC=C1	InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
HMDB11187	TG(8:0/8:0/8:0)	[H]C(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)OC(=O)CCCCCCC	InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
HMDB11185	O-Phosphothreonine	C[C@@H](OP(O)(O)=O)[C@H](N)C(O)=O	InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
HMDB58829	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-35,40,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,43-36-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58828	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,29,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58823	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-40,42,44-47,50,52,56,58,62,64,68,83-85,90H,5-20,23-24,29-30,35-36,41,43,48-49,51,53-55,57,59-61,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,50-47-,56-52-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB58822	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-40-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-40,43-46,48,50,56,58,60,62,81-83,88H,5-20,23-24,29-30,35-36,41-42,47,49,51-55,57,59,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,44-40-,48-45-,50-46-,60-56-,62-58-/t81?,82-,83-/m1/s1
HMDB58821	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-40-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-40,42-45,47,55,59,80-82,87H,5-20,22-24,29,34-36,41,46,48-54,56-58,60-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,44-40-,47-45-,59-55-/t80?,81-,82-/m1/s1
HMDB58820	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-75-80(101-84(89)71-67-63-59-55-51-47-41-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)76-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-39,41-44,46,54,58,79-81,86H,5-20,22-24,28-29,32,34-35,40,45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,43-39-,46-44-,58-54-/t79?,80-,81-/m1/s1
HMDB58827	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-43,47,50,58,62,79-81,86H,5-20,22-24,29,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1
HMDB58826	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB58825	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-43,47,50,58,62,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1
HMDB58824	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-40,42,44-47,50,52,56,58,62,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,48-49,51,53-55,57,59-61,63-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,50-47-,56-52-,62-58-/t83?,84-,85-/m1/s1
HMDB59549	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,49-50,53-54,61-62,65-66,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,53-49-,54-50-,65-61-,66-62-/t84-,85-/m1/s1
HMDB59548	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB40239	1,1'-Thiobisethanethiol	CC(S)SC(C)S	InChI=1S/C4H10S3/c1-3(5)7-4(2)6/h3-6H,1-2H3
HMDB57787	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,38,40-41,45-46,50,52,56,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,42-44,47-49,51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-/t77?,78-,79-/m1/s1
HMDB48597	TG(16:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-21,23-26,31,34,50H,4-15,17-18,22,27-30,32-33,35-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,34-31-
HMDB40238	2-Ethyldihydro-3(2H)-thiophenone	CCC1SCCC1=O	InChI=1S/C6H10OS/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3
HMDB57786	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,50-51,54-55,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-49,52-53,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-/t82?,83-,84-/m1/s1
HMDB57785	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,36-38,41-45,50-51,54-55,63,67,82-84,89H,5-8,10-12,14-20,23-24,29-30,35,39-40,46-49,52-53,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB57784	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)101-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,52-48-/t79?,80-,81-/m1/s1
HMDB59308	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)83-103-90(95)77-73-69-65-61-57-53-50-47-44-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-40,43-44,46-48,51-53,55-57,63-64,67-68,86-88,93H,5-9,11-13,15-20,24,29-31,36,41-42,45,49-50,54,58-62,65-66,69-85H2,1-4H3,(H,98,99)(H,100,101)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,55-51-,56-52-,57-53-,67-63-,68-64-/t86?,87-,88-/m1/s1
HMDB57783	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1
HMDB57782	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-/t81?,82-,83-/m1/s1
HMDB48594	TG(16:1(9Z)/16:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20-21,23-26,54H,4-19,22,27-53H2,1-3H3/b23-20-,24-21-,26-25-
HMDB57781	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-37,40-44,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,38-39,45-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57780	CL(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-/t77?,78-,79-/m1/s1
HMDB35429	Assamsaponin B	C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C)OC(C)=O	InChI=1S/C61H92O28/c1-11-25(2)51(78)89-48-49(82-27(4)66)61(24-64)29(18-56(48,5)6)28-12-13-34-57(7)16-15-35(58(8,23-63)33(57)14-17-59(34,9)60(28,10)19-36(61)81-26(3)65)84-55-47(88-53-42(74)40(72)39(71)32(20-62)83-53)44(43(75)45(86-55)50(76)77)85-54-46(38(70)31(68)22-80-54)87-52-41(73)37(69)30(67)21-79-52/h11-12,23,29-49,52-55,62,64,67-75H,13-22,24H2,1-10H3,(H,76,77)/b25-11-
HMDB53259	TG(18:3(6Z,9Z,12Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,35-36,38-39,55H,4-7,9-10,12-16,19,22-25,28,31-34,37,40-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,39-36-
HMDB53258	TG(18:3(6Z,9Z,12Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36,39,55H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-
HMDB53251	TG(18:3(6Z,9Z,12Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,35-36,38-39,55H,4-16,19,22-25,28,31-34,37,40-54H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,39-36-
HMDB53250	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB53253	TG(18:3(6Z,9Z,12Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,37,40,57H,4-15,17,20,22-24,26,29-30,33-34,36,38-39,41-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-,40-37-
HMDB53252	TG(18:3(6Z,9Z,12Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,18,21-22,25,27,30,36,39,56H,4-12,14-15,17,19-20,23-24,26,28-29,31-35,37-38,40-55H2,1-3H3/b16-13-,21-18-,25-22-,30-27-,39-36-
HMDB53255	TG(18:3(6Z,9Z,12Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,33,39,42,59H,4-15,17,20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b19-16-,21-18-,28-25-,33-27-,42-39-
HMDB53254	TG(18:3(6Z,9Z,12Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,37,40-41,44,57H,4-15,17,20,22-24,26,29-30,33-34,36,38-39,42-43,45-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-,40-37-,44-41-
HMDB48595	TG(16:1(9Z)/16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20-21,23-26,56H,4-19,22,27-55H2,1-3H3/b23-20-,24-21-,26-25-
HMDB53256	TG(18:3(6Z,9Z,12Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,37,39-40,42,59H,4-15,17,20,22-24,26,29-30,34-36,38,41,43-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB49308	TG(18:1(11Z)/20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-
HMDB49309	TG(18:1(11Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,32,57H,4-19,22,26-27,30-31,33-56H2,1-3H3/b23-20-,24-21-,28-25-,32-29-
HMDB30229	Lagerstroemine	COC1=CC=C2C3CC(CC4CCCCN34)OC(=O)CCC3=CC(=C(O)C=C3)C2=C1OC	InChI=1S/C26H31NO5/c1-30-23-10-8-19-21-15-18(14-17-5-3-4-12-27(17)21)32-24(29)11-7-16-6-9-22(28)20(13-16)25(19)26(23)31-2/h6,8-10,13,17-18,21,28H,3-5,7,11-12,14-15H2,1-2H3
HMDB49300	TG(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,36,39,58H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,33-27-,39-36-
HMDB49301	TG(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-31,33,36,39,45,48,58H,4-6,8-9,11-15,17-18,21-22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-
HMDB49302	TG(18:1(11Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,27,30,55H,4-19,21-22,24-26,28-29,31-54H2,1-3H3/b23-20-,30-27-
HMDB40234	Di-1-propenyl sulfide	C\C=C\S\C=C\C	InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-6H,1-2H3/b5-3+,6-4+
HMDB49304	TG(18:1(11Z)/20:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,31,56H,4-19,21-22,24,26,29-30,32-55H2,1-3H3/b23-20-,28-25-,31-27-
HMDB06915	2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid	OC(=O)C(\O)=C\C1=CC=C(O)C=C1	InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-
HMDB49306	TG(18:1(11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,33,36,42,45,58H,4-20,22-23,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b24-21-,28-25-,29-26-,36-33-,45-42-
HMDB49307	TG(18:1(11Z)/20:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,60H,4-20,22-23,27,30-59H2,1-3H3/b24-21-,28-25-,29-26-
HMDB06700	3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose	C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C14H25NO10/c1-5-9(20)11(22)12(23)14(24-5)25-13(10(21)8(19)4-17)7(3-16)15-6(2)18/h3,5,7-14,17,19-23H,4H2,1-2H3,(H,15,18)/t5-,7-,8+,9+,10+,11+,12-,13+,14-/m0/s1
HMDB59305	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-39,42-45,47,50-51,54-55,63,67,84-86,91H,5-8,10-12,14-20,23-24,29-30,35-36,40-41,46,48-49,52-53,56-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-,67-63-/t84?,85-,86-/m1/s1
HMDB30907	3,4-Dimethylpyrrolo[1,2-a]pyrazine	CC1=C(C)N2C=CC=C2C=N1	InChI=1S/C9H10N2/c1-7-8(2)11-5-3-4-9(11)6-10-7/h3-6H,1-2H3
HMDB59304	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,36-38,41-45,49-50,52-53,61,65,82-84,89H,5-8,10-12,14-20,23-24,29-30,35,39-40,46-48,51,54-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-,65-61-/t82?,83-,84-/m1/s1
HMDB02114	Bisdemethoxycurcumin	OC1=CC=C(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)C=C1	InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+
HMDB02115	8-isoprostaglandin PGF2b	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19+/m0/s1
HMDB02117	Oleamide	CCCCCCCC\C=C/CCCCCCCC(N)=O	InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
HMDB02111	Water	O	InChI=1S/H2O/h1H2
HMDB02113	3-Hydroxy-L-proline	O[C@H]1CCN[C@H]1C(O)=O	InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
HMDB59307	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,43-48,51-52,55-56,64,68,85-87,92H,5-8,10-12,14-20,23-24,29-30,35-36,41-42,49-50,53-54,57-63,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,55-51-,56-52-,68-64-/t85?,86-,87-/m1/s1
HMDB42919	TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31-32,34-35,38,44,47,56H,4-6,8-9,11-15,18,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-
HMDB48924	TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,31,56H,4-7,9-10,12-16,18-19,22-23,28-30,32-55H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,31-26-
HMDB31675	3,11-Dihydroxy-12-ursen-28-oic acid; (3b,11a)-form, 11-Me ether, 3-Ac, Me ester	COC1C=C2C3C(C)C(C)CCC3(CCC2(C)C2(C)CCC3C(C)(C)C(CCC3(C)C12)OC(C)=O)C(=O)OC	InChI=1S/C34H54O5/c1-20-11-16-34(29(36)38-10)18-17-32(7)23(27(34)21(20)2)19-24(37-9)28-31(6)14-13-26(39-22(3)35)30(4,5)25(31)12-15-33(28,32)8/h19-21,24-28H,11-18H2,1-10H3
HMDB59428	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,48-49,51-52,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-47,50,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-/t81?,82-,83-/m1/s1
HMDB32725	Acetomenaphthone	CC(=O)OC1=CC(C)=C(OC(C)=O)C2=C1C=CC=C2	InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3
HMDB55436	TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34-35,38,40,43,60H,4-7,10,13-16,19,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-
HMDB59306	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-39,42-47,50-51,54-55,63,67,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35,40-41,48-49,52-53,56-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,54-50-,55-51-,67-63-/t84?,85-,86-/m1/s1
HMDB31674	Armillarinin	COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4(O)C=C(C=O)C23O)C(O)=C1	InChI=1S/C24H29ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,10,16-17,27,29-30H,8-9,11H2,1-5H3
HMDB54327	TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-6,9,12-15,22-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB55821	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40,43,63H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-
HMDB59429	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,48-49,51-52,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-47,50,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-/t81?,82-,83-/m1/s1
HMDB59301	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,69-71,73,88-90,95H,5-10,12-14,16-20,24,29-31,36,41-43,51-53,56,60,62-65,68,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB55826	TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-37,39-40,44,47,58H,4-6,9,12-14,21-23,28-29,34-35,38,41-43,45-46,48-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,47-44-
HMDB47349	TG(24:0/24:1(15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C75H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,72H,4-24,26,29,31-71H2,1-3H3/b28-25-,30-27-
HMDB47346	TG(24:0/24:1(15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,68H,4-25,28,31-67H2,1-3H3/b29-26-,30-27-
HMDB55829	TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-41,46,49,60H,4-6,9,12-15,18,22-23,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-
HMDB59300	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,70-71,88-90,95H,5-10,12-14,16-20,24,29-31,36,41-43,51-53,56,60,62-65,68-69,72-87H2,1-4H3,(H,100,101)(H,102,103)/b15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-/t88?,89-,90-/m1/s1
HMDB30258	(+)-Erythraline	COC1CC23N(CC=C2C=C1)CCC1=C3C=C2OCOC2=C1	InChI=1S/C18H19NO3/c1-20-14-3-2-13-5-7-19-6-4-12-8-16-17(22-11-21-16)9-15(12)18(13,19)10-14/h2-3,5,8-9,14H,4,6-7,10-11H2,1H3
HMDB30259	(+)-Erysotrine	CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3C=C(OC)C(OC)=C1	InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1
HMDB30256	Erysopine	COC1CC23N(CC=C2C=C1)CCC1=C3C=C(O)C(O)=C1	InChI=1S/C17H19NO3/c1-21-13-3-2-12-5-7-18-6-4-11-8-15(19)16(20)9-14(11)17(12,18)10-13/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3
HMDB30257	Erysothiopine	COC1CC23N(CC=C2C=C1)CCC1=C3C=C(O)C(OS(=O)(=O)CC(O)=O)=C1	InChI=1S/C19H21NO7S/c1-26-14-3-2-13-5-7-20-6-4-12-8-17(27-28(24,25)11-18(22)23)16(21)9-15(12)19(13,20)10-14/h2-3,5,8-9,14,21H,4,6-7,10-11H2,1H3,(H,22,23)
HMDB30254	3-(3,4,5-Trimethoxyphenyl)propanoic acid	COC1=CC(CCC(O)=O)=CC(OC)=C1OC	InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
HMDB30255	Erysodine	CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3C=C(OC)C(O)=C1	InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1
HMDB30252	Limonene aldehyde	CC(CC=O)C1CCC(C)=CC1	InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,8,10-11H,4-7H2,1-2H3
HMDB30253	Notoginsenoside D	CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C64H108O31/c1-25(2)10-9-14-64(8,95-57-51(83)45(77)43(75)33(91-57)24-87-55-50(82)44(76)42(74)32(90-55)23-86-54-48(80)38(70)28(68)21-84-54)26-11-16-63(7)37(26)27(67)18-35-61(5)15-13-36(60(3,4)34(61)12-17-62(35,63)6)92-58-52(46(78)40(72)30(19-65)88-58)94-59-53(47(79)41(73)31(20-66)89-59)93-56-49(81)39(71)29(69)22-85-56/h10,26-59,65-83H,9,11-24H2,1-8H3
HMDB30250	Chikusetsusaponin VI	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-48(76)43(71)39(67)30(82-53)23-79-51-46(74)41(69)37(65)28(19-60)80-51)25-11-16-58(7)35(25)26(62)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)84-54-49(85-52-47(75)42(70)38(66)29(20-61)81-52)44(72)40(68)31(83-54)22-78-50-45(73)36(64)27(63)21-77-50/h10,25-54,60-76H,9,11-23H2,1-8H3
HMDB30251	Oripavine	COC1=CC=C2C3CC4=C5C(OC1C25CCN3C)=C(O)C=C4	InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3
HMDB59303	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,37-39,42-45,47,50-51,54-55,63,67,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35-36,40-41,46,48-49,52-53,56-62,64-66,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-,67-63-/t84?,85-,86-/m1/s1
HMDB03247	20-Hydroxy-PGE2	OCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-17,19,21-22,24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,19+/m0/s1
HMDB04634	4-Chloromethandienone	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)C=C[C@]12C	InChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
HMDB03243	Acetoin	CC(O)C(C)=O	InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
HMDB03240	(3R,3'R,15-cis)-b,b-Carotene-3,3'-diol	C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19+,32-20+/t35-,36-/m1/s1
HMDB03249	Rutin	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
HMDB57969	CL(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB57968	CL(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB59302	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-45,49-50,52-53,61,65,82-84,89H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,46-48,51,54-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-,65-61-/t82?,83-,84-/m1/s1
HMDB30953	Filfiline	CCCCCCCCCCC\C=C/CCCC\C=C/C=C\C(=O)NCC(C)C	InChI=1S/C26H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25(2)3/h14-15,20-23,25H,4-13,16-19,24H2,1-3H3,(H,27,28)/b15-14-,21-20-,23-22-
HMDB59325	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)83-103-90(95)77-73-69-65-61-57-53-50-47-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,43-44,46-48,51-53,55-57,63,65,67,69,86-88,93H,5-8,10-12,14-20,24,29-31,36,41-42,45,49-50,54,58-62,64,66,68,70-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,55-51-,56-52-,57-53-,67-63-,69-65-/t86?,87-,88-/m1/s1
HMDB57963	CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1
HMDB57962	CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,44,46,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-44-/t75?,76-,77-/m1/s1
HMDB57961	CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57960	CL(18:1(11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,29-30,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57967	CL(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB57966	CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB57965	CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57964	CL(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,45,48,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-45-/t77?,78-,79-/m1/s1
HMDB57255	CL(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27-32,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB56618	CL(16:0/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB56619	CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,38,41,48,52,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB57254	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,43-45,48-49,56-57,60-61,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,46-47,50-55,58-59,62-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,48-44-,49-45-,60-56-,61-57-/t80?,81-,82-/m1/s1
HMDB56612	CL(16:0/18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25,27,31,33-34,36,38-40,46,50,58,62,77-79,84H,5-20,22-24,26,28-30,32,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56613	CL(16:0/18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,27,31,33-34,36,38-40,46,50,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-/t77?,78-,79-/m1/s1
HMDB56610	CL(16:0/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25,27,29,31,34,36-37,39,74-76,81H,5-24,26,28,30,32-33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB56611	CL(16:0/18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25,27,31,33-34,36,38,40,44,52,56,75-77,82H,5-20,22-24,26,28-30,32,35,37,39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,36-33-,38-34-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB56616	CL(16:0/18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36,39,74-76,81H,5-24,28,32-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,39-36-/t74?,75-,76-/m1/s1
HMDB56617	CL(16:0/18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,38-39,74-76,81H,5-24,27-28,31-34,37,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB56614	CL(16:0/18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,27,31,33-34,36,38-40,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB56615	CL(16:0/18:1(11Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C78H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-40-43-47-51-55-59-63-76(81)89-69-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(84,85)90-66-72(79)67-91-97(86,87)93-71-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,37,72-74,79H,5-24,27-28,31-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,30-26-,37-35-/t72?,73-,74-/m1/s1
HMDB51491	TG(22:1(13Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,41,44,50,53,64H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,44-41-,53-50-
HMDB51490	TG(22:1(13Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,41,44,64H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-40,42-43,45-63H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,44-41-
HMDB51493	TG(22:1(13Z)/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-
HMDB51492	TG(22:1(13Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-
HMDB51495	TG(22:1(13Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,37,63H,4-20,22-23,26-27,29,31-36,38-62H2,1-3H3/b24-21-,28-25-,37-30-
HMDB51494	TG(22:1(13Z)/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,68H,4-24,27,30-67H2,1-3H3/b28-25-,29-26-
HMDB51497	TG(22:1(13Z)/22:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,63H,4-14,16-17,19-23,26,29-62H2,1-3H3/b18-15-,27-24-,28-25-
HMDB51496	TG(22:1(13Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,42,45,62H,4-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,36-27-,45-42-
HMDB51499	TG(22:1(13Z)/22:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,47,50,64H,4-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b21-18-,28-25-,30-27-,41-38-,50-47-
HMDB51498	TG(22:1(13Z)/22:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,64H,4-17,19-20,22-24,26,29,31-37,39-40,42-63H2,1-3H3/b21-18-,28-25-,30-27-,41-38-
HMDB57250	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,39,41-42,46,54,58,77-79,84H,5-20,22-24,26-32,35,38,40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57253	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,37-39,42-44,48,56,60,79-81,86H,5-20,22-24,28-29,32,34-36,40-41,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,37-33-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB00405	2-Methoxyestradiol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3	InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
HMDB57252	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,37-38,42-43,47,55,59,78-80,85H,5-20,22-24,27-29,31-32,34-36,39-41,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB00406	16-Ketoestradiol	[H][C@@]12CC(=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1
HMDB00407	2-Hydroxy-3-methylbutyric acid	CC(C)C(O)C(O)=O	InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
HMDB00400	3,7-Dihydroxy-12-oxocholanoic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1
HMDB57632	CL(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34,36-37,39,74-76,81H,5-24,26,30,33,35,38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,31-27-,32-28-,37-34-,39-36-/t74?,75-,76-/m1/s1
HMDB00402	2-Isopropylmalic acid	CC(C)[C@@](O)(CC(O)=O)C(O)=O	InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
HMDB41515	Benzyl gentiobioside	OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2
HMDB41514	Benzyl alcohol, BAN, INN, USAN; O-[a-L-Arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H26O10/c19-6-10-12(20)15(23)17(27-10)26-8-11-13(21)14(22)16(24)18(28-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2
HMDB41517	beta-D-Glucopyranosyl anthranilate	NC1=CC=CC=C1C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C13H17NO7/c14-7-4-2-1-3-6(7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2
HMDB41516	Avenanthramide G	OC(=O)C1=CC=C(O)C=C1NC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-9-12(19)6-7-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+
HMDB41511	Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1-&gt;6)-beta-D-galactopyranoside]	CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11+,18-17+
HMDB41510	Gibberellin A98	CC12CC(O)CC3(COC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C20H26O6/c1-10-5-18-8-20(10,25)4-3-12(18)19-7-11(21)6-17(2,16(24)26-9-19)14(19)13(18)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)
HMDB41513	2-Propanol, 9CI; O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3
HMDB41512	Isopentyl gentiobioside	CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3
HMDB41519	Nb-Feruloyltryptamine	COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=CC=C3)=CC=C1O	InChI=1S/C20H20N2O3/c1-25-19-12-14(6-8-18(19)23)7-9-20(24)21-11-10-15-13-22-17-5-3-2-4-16(15)17/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-7+
HMDB41518	Nb-p-Coumaroyltryptamine	OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=CC=C3)C=C1	InChI=1S/C19H18N2O2/c22-16-8-5-14(6-9-16)7-10-19(23)20-12-11-15-13-21-18-4-2-1-3-17(15)18/h1-10,13,21-22H,11-12H2,(H,20,23)/b10-7+
HMDB03939	3-Oxodecanoyl-CoA	CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26?,30-/m1/s1
HMDB03938	(S)-Hydroxydecanoyl-CoA	CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24?,25-,26-,30+/m0/s1
HMDB51447	TG(22:1(13Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,58H,4-16,18-19,21-24,29-32,34-35,37-57H2,1-3H3/b20-17-,27-25-,28-26-,36-33-
HMDB03933	Pentosidine	N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O	InChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1
HMDB03932	(S)-3-Hydroxyhexadecanoyl-CoA	CCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25-,26+,30+,31+,32?,36+/m0/s1
HMDB03935	3-Oxotetradecanoyl-CoA	CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t24-,28-,29-,30+,34-/m1/s1
HMDB03934	(S)-3-Hydroxytetradecanoyl-CoA	CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t23-,24+,28+,29+,30?,34+/m0/s1
HMDB03937	3-Oxododecanoyl-CoA	CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26-,27-,28?,32-/m1/s1
HMDB03936	(S)-3-Hydroxydodecanoyl-CoA	CCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22+,26+,27+,28?,32+/m0/s1
HMDB51445	TG(22:1(13Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,36,39,56H,4-16,18-19,21-24,28-30,32-35,37-38,40-55H2,1-3H3/b20-17-,27-25-,31-26-,39-36-
HMDB51442	TG(22:1(13Z)/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-
HMDB51443	TG(22:1(13Z)/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,62H,4-24,29-61H2,1-3H3/b27-25-,28-26-
HMDB50720	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,34,37,43,46,52,55,64H,4-16,18-19,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB50721	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,39,45,48,54,57,66H,4-16,18-19,21-24,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,39-35-,48-45-,57-54-
HMDB50722	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-35,40,43,49,52,61H,4-15,17-18,20,22-23,27,31,33,36-39,41-42,44-48,50-51,53-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,43-40-,52-49-
HMDB50723	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,39-40,42-43,48,51,60H,4-15,17,20,22-24,30,32,35-38,41,44-47,49-50,52-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-,51-48-
HMDB50724	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,32,34,40,43,49,52,61H,4-14,17,20-23,30-31,33,35-39,41-42,44-48,50-51,53-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB50725	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-36,39,41,44,50,53,62H,4-15,18,21-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-
HMDB50726	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB50727	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34,37,43,46,52,55,64H,4-15,18,21-24,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB50728	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,42-43,45-46,52,55,64H,4-15,18,21-24,31-32,35,38-41,44,47-51,53-54,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,55-52-
HMDB50729	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,42-43,45-46,51-52,54-55,64H,4-15,18,21-24,31-32,35,38-41,44,47-50,53,56-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-,55-52-
HMDB51441	TG(22:1(13Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB37456	3,4',5,6,8-Pentamethoxyflavone	COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(O1)C(OC)=CC(OC)=C2OC	InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)17-20(26-5)16(21)15-18(25-4)13(23-2)10-14(24-3)19(15)27-17/h6-10H,1-5H3
HMDB54610	TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,36,39,45,48,61H,4-7,9-10,12-15,18,21-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,39-36-,48-45-
HMDB54611	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,36,39,45,48,66H,4-8,10-11,13-15,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB54612	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,36-37,39,43,45-46,48,66H,4-8,10-11,13-15,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB54613	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-8,10-11,13-15,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB54614	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,33,35-36,41,44,62H,4-7,10,13-15,22-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-
HMDB54615	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,33,35-36,41-42,44-45,62H,4-7,10,13-15,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB54616	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,34,37-38,41,43,46,64H,4-7,10,13-15,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB54617	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,34,37-38,41,43,46-47,50,64H,4-7,10,13-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB54618	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34,36-37,39,43,45-46,48,66H,4-6,8,11,13-15,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB54619	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8,11,13-15,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB42154	TG(14:0/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
HMDB42155	TG(14:0/18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB42156	TG(14:0/18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB42157	TG(14:0/18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB42150	TG(14:0/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(48-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB42151	TG(14:0/18:0/14:0)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3
HMDB42152	TG(14:0/18:0/15:0)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3
HMDB42153	TG(14:0/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
HMDB48178	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,33,36-37,40,52H,4-7,9-10,12-14,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB48179	TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,39,42,54H,4-6,8-9,11-14,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB42158	TG(14:0/18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14,17,46H,4-13,15-16,18-45H2,1-3H3/b17-14-
HMDB42159	TG(14:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,48H,4-19,21-22,24-47H2,1-3H3/b23-20-
HMDB57634	CL(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h25-26,28-30,32,35-40,75-77,82H,5-24,27,31,33-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,32-28-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB55573	TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38,56H,4-6,9,12-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-
HMDB09478	PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB09479	PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
HMDB09472	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-5,7,9-10,15-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1
HMDB09473	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33,45H,3-4,9-10,15-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1
HMDB09470	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,31,33,45H,3-5,7,9-10,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
HMDB09471	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30-31,33,45H,3-5,7,9-10,15-16,21,23,26,29,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-/t45-/m1/s1
HMDB09476	PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,33,35,47H,3-5,7,9-11,13,15-16,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,29-27-,35-33-/t47-/m1/s1
HMDB09477	PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1
HMDB09474	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,45H,3-4,9-10,15-16,21,23,26,29,32,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t45-/m1/s1
HMDB09475	PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,33,35,47H,3-5,7,9-11,13,15-17,19,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,29-27-,35-33-/t47-/m1/s1
HMDB01269	Methylmalonyl-CoA	C[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18?,22+/m0/s1
HMDB01268	4-Fumarylacetoacetic acid	OC(=O)CC(=O)CC(=O)\C=C\C(O)=O	InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+
HMDB01267	4-Oxo-4-(3-pyridyl)-butanamide	NC(=O)CCC(=O)C1=CN=CC=C1	InChI=1S/C9H10N2O2/c10-9(13)4-3-8(12)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H2,10,13)
HMDB01266	L-Sorbose	OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1
HMDB01265	Fucose 1-phosphate	C[C@@H]1OC(OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6?/m0/s1
HMDB01264	Dehydroascorbic acid	[H][C@@]1(OC(=O)C(=O)C1=O)[C@H](O)CO	InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5-/m1/s1
HMDB01263	Allysine	NC(CCCC=O)C(O)=O	InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)
HMDB01262	Maltotriose	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1
HMDB01261	Coproporphyrinogen III	CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3	InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
HMDB01260	ADP-Ribosyl-L-arginine	NC(CCC\N=C(/N)NC1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C(N)N=CN=C23)C(O)C1O)C(O)=O	InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)
HMDB45511	TG(20:0/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,33,38,41,55H,4-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b27-25-,33-31-,41-38-
HMDB45510	TG(20:0/15:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-
HMDB45513	TG(20:0/15:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-
HMDB45512	TG(20:0/15:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB45515	TG(20:0/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,53H,4-16,18-19,21-25,27-28,30-33,35,37-52H2,1-3H3/b20-17-,29-26-,36-34-
HMDB45514	TG(20:0/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h20,23,28,30,54H,4-19,21-22,24-27,29,31-53H2,1-3H3/b23-20-,30-28-
HMDB40749	3-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 9CI; (all-E)-form, 4-Me ether	COC1=CC=C(O)C(O)=C1C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-26(30-6)19-18-25(28)27(24)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-
HMDB40748	3-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 9CI; (all-E)-form, 2-Ac	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC1=C(OC(C)=O)C(O)=CC=C1O	InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-26(30)18-19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-
HMDB40747	Heliocide B2	COC1=C(C(C)C)C2=C(C(=O)C3CC(CCC=C(C)C)=CCC3(C)C2=O)C(C=O)=C1O	InChI=1S/C26H32O5/c1-14(2)8-7-9-16-10-11-26(5)18(12-16)23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(26)30/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3
HMDB40746	12-Hydroxy-7-oxo-8,11,13-abietatrien-18-al	CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C=O)C1CC2=O	InChI=1S/C20H26O3/c1-12(2)13-8-14-15(9-16(13)22)20(4)7-5-6-19(3,11-21)18(20)10-17(14)23/h8-9,11-12,18,22H,5-7,10H2,1-4H3
HMDB40745	Polypodoside C	COC1C(O)C(C)OC(OC2OC(CCC2C)C(C)C2CCC3C4=CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C40H64O13/c1-18-7-10-28(51-36(18)53-38-34(47)35(48-6)30(43)20(3)49-38)19(2)23-8-9-24-22-16-27(42)26-15-21(11-13-40(26,5)25(22)12-14-39(23,24)4)50-37-33(46)32(45)31(44)29(17-41)52-37/h16,18-21,23-26,28-38,41,43-47H,7-15,17H2,1-6H3
HMDB40744	Polypodoside B	CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CCC(C)C(OC2OC(C)C(O)C(O)C2O)O1	InChI=1S/C39H62O13/c1-17-6-9-27(50-35(17)52-36-33(46)31(44)29(42)19(3)48-36)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(47)32(45)30(43)28(16-40)51-37/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3
HMDB40743	2'-Dehydroplectaniaxanthin	C\C(\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)C(C)(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H54O2/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38(41)40(9,10)42)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26-29,42H,16,25,30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,31-17+,32-18+,33-21+,34-23+,35-24+
HMDB40742	2,3-Dehydrosalvipisone	CC(C)C1=C(O)C(=O)C2=C(C=CC(C)=C2C\C=C/C(C)=C)C1=O	InChI=1S/C20H22O3/c1-11(2)7-6-8-14-13(5)9-10-15-17(14)20(23)19(22)16(12(3)4)18(15)21/h6-7,9-10,12,22H,1,8H2,2-5H3/b7-6-
HMDB43207	TG(15:0/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,30,33,49H,4-15,17-18,21-22,24,27-29,31-32,34-48H2,1-3H3/b19-16-,23-20-,26-25-,33-30-
HMDB43206	TG(15:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h19-20,22-23,26-27,50H,4-18,21,24-25,28-49H2,1-3H3/b22-19-,23-20-,27-26-
HMDB43205	TG(15:0/16:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-23-20-17-14-11-8-5-2/h20,23,25-26,55H,4-19,21-22,24,27-54H2,1-3H3/b23-20-,26-25-
HMDB43204	TG(15:0/16:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h20,23,25-26,53H,4-19,21-22,24,27-52H2,1-3H3/b23-20-,26-25-
HMDB43203	TG(15:0/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,30,35,38,51H,4-19,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b23-20-,26-25-,30-28-,38-35-
HMDB43202	TG(15:0/16:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h20,23,25-26,51H,4-19,21-22,24,27-50H2,1-3H3/b23-20-,26-25-
HMDB43201	TG(15:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h20,23,25-26,49H,4-19,21-22,24,27-48H2,1-3H3/b23-20-,26-25-
HMDB43200	TG(15:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h19-20,22-23,49H,4-18,21,24-48H2,1-3H3/b22-19-,23-20-
HMDB43209	TG(15:0/16:1(9Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,51H,4-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-
HMDB43208	TG(15:0/16:1(9Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,50H,4-12,14-15,17-19,21,24,26-49H2,1-3H3/b16-13-,23-20-,25-22-
HMDB47917	TG(14:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,29,32,48H,4-14,17,21-22,26-28,30-31,33-47H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,32-29-
HMDB47916	TG(14:1(9Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h15,18-20,22-23,25-26,49H,4-14,16-17,21,24,27-48H2,1-3H3/b18-15-,22-19-,23-20-,26-25-
HMDB47915	TG(14:1(9Z)/16:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,20,23-25,54H,4-14,16-17,19,21-22,26-53H2,1-3H3/b18-15-,23-20-,25-24-
HMDB47914	TG(14:1(9Z)/16:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,20,23-25,52H,4-14,16-17,19,21-22,26-51H2,1-3H3/b18-15-,23-20-,25-24-
HMDB47913	TG(14:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,20,23-25,27,29,34,37,50H,4-14,16-17,19,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,23-20-,25-24-,29-27-,37-34-
HMDB47912	TG(14:1(9Z)/16:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,20,23-25,50H,4-14,16-17,19,21-22,26-49H2,1-3H3/b18-15-,23-20-,25-24-
HMDB47911	TG(14:1(9Z)/16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,20,23-25,48H,4-14,16-17,19,21-22,26-47H2,1-3H3/b18-15-,23-20-,25-24-
HMDB47910	TG(14:1(9Z)/16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18-20,22-23,48H,4-14,16-17,21,24-47H2,1-3H3/b18-15-,22-19-,23-20-
HMDB47919	TG(14:1(9Z)/16:1(9Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27,29,50H,4-14,17,21-22,26,28,30-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,29-27-
HMDB47918	TG(14:1(9Z)/16:1(9Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-24,49H,4-12,14,17,19,21,25-48H2,1-3H3/b16-13-,18-15-,23-20-,24-22-
HMDB51938	TG(24:1(15Z)/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,42,45,59H,4-16,18-19,21-24,29-34,36,38-41,43-44,46-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-,45-42-
HMDB51939	TG(24:1(15Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,61H,4-16,18-19,21-24,29-60H2,1-3H3/b20-17-,27-25-,28-26-
HMDB51932	TG(24:1(15Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-37-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h24,26,57H,4-23,25,27-56H2,1-3H3/b26-24-
HMDB51933	TG(24:1(15Z)/15:0/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-43-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,63H,4-24,29-62H2,1-3H3/b27-25-,28-26-
HMDB51930	TG(24:1(15Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-
HMDB51931	TG(24:1(15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,46,49,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-,49-46-
HMDB51936	TG(24:1(15Z)/15:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,58H,4-13,15-16,18-22,24,28-57H2,1-3H3/b17-14-,26-23-,27-25-
HMDB51937	TG(24:1(15Z)/15:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,59H,4-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-
HMDB51934	TG(24:1(15Z)/15:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,34,58H,4-19,21-22,24,26,29-33,35-57H2,1-3H3/b23-20-,27-25-,34-28-
HMDB51935	TG(24:1(15Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h17,20,25-27,33,38,40,57H,4-16,18-19,21-24,28-32,34-37,39,41-56H2,1-3H3/b20-17-,27-25-,33-26-,40-38-
HMDB46356	TG(22:0/20:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3
HMDB46357	TG(22:0/20:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
HMDB46354	TG(22:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,48,51,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-,51-48-
HMDB46355	TG(22:0/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h59H,4-58H2,1-3H3
HMDB46352	TG(22:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,43,46,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,29-26-,37-35-,46-43-
HMDB46353	TG(22:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,39,42,62H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,42-39-
HMDB46350	TG(22:0/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,32,38,41,58H,4-7,9-10,12-16,18-19,21-25,27-31,33-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,32-26-,41-38-
HMDB46351	TG(22:0/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,37,60H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36,38-59H2,1-3H3/b11-8-,20-17-,29-26-,37-35-
HMDB46358	TG(22:0/20:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,18,56H,4-14,16-17,19-55H2,1-3H3/b18-15-
HMDB46359	TG(22:0/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-
HMDB33488	Aurasperone D	COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(O)=C1)C1=C(OC)C2=C(C=C1OC)C=C1OC(C)=CC(=O)C1=C2O	InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3
HMDB33489	Isoaurasperone A	COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(OC)=C2C(O)=C1)C1=C(O)C2=C(OC)C3=C(OC(C)=CC3=O)C=C2C=C1OC	InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-21(38-4)28(29(36)23(15)30(26)39-5)25-17-11-16(37-3)12-20(35)24(17)31(40-6)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3
HMDB33482	Plantagonine	CC1CCC2=C1C=NC=C2C(O)=O	InChI=1S/C10H11NO2/c1-6-2-3-7-8(6)4-11-5-9(7)10(12)13/h4-6H,2-3H2,1H3,(H,12,13)
HMDB33483	6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium	CC1CCC2=C1C=[N+](CCC1=CC=C(O)C=C1)C=C2CO	InChI=1S/C18H21NO2/c1-13-2-7-17-15(12-20)10-19(11-18(13)17)9-8-14-3-5-16(21)6-4-14/h3-6,10-11,13,20H,2,7-9,12H2,1H3/p+1
HMDB33480	Graveoline	CN1C(=CC(=O)C2=C1C=CC=C2)C1=CC2=C(OCO2)C=C1	InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3
HMDB33481	Baptifoline	OC1CCN2CC3CC(CN4C(=O)C=CC=C34)C2C1	InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2
HMDB33486	Pipermethystine	CC(=O)OC1CN(C(=O)CCC2=CC=CC=C2)C(=O)C=C1	InChI=1S/C16H17NO4/c1-12(18)21-14-8-10-16(20)17(11-14)15(19)9-7-13-5-3-2-4-6-13/h2-6,8,10,14H,7,9,11H2,1H3
HMDB33487	1-Hydroxy-3-methyl-9H-carbazole	CC1=CC2=C(NC3=CC=CC=C23)C(O)=C1	InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-13(10)12(15)7-8/h2-7,14-15H,1H3
HMDB33484	(S)-Valerianine	COCC1=CN=CC2=C1CCC2C	InChI=1S/C11H15NO/c1-8-3-4-10-9(7-13-2)5-12-6-11(8)10/h5-6,8H,3-4,7H2,1-2H3
HMDB33485	Gentiatibetine	CC1=NC=CC2=C1C(O)OCC2	InChI=1S/C9H11NO2/c1-6-8-7(2-4-10-6)3-5-12-9(8)11/h2,4,9,11H,3,5H2,1H3
HMDB28873	Hydroxyprolyl-Threonine	CC(O)C(N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C9H16N2O5/c1-4(12)7(10)8(14)11-3-5(13)2-6(11)9(15)16/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)
HMDB28872	Hydroxyprolyl-Serine	NC(CO)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C8H14N2O5/c9-5(3-11)7(13)10-2-4(12)1-6(10)8(14)15/h4-6,11-12H,1-3,9H2,(H,14,15)
HMDB28871	Hydroxyprolyl-Proline	OC1CC(N(C1)C(=O)C1CCCN1)C(O)=O	InChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)
HMDB31393	Squamocin B	CCCCCCC(O)CCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H62O7/c1-3-4-5-13-17-28(36)18-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-14-11-9-7-6-8-10-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3
HMDB31394	Annonisin	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCC(O)CCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-10-17-29(38)31-19-21-33(42-31)34-22-20-32(43-34)30(39)18-12-11-14-27(36)15-13-16-28(37)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3
HMDB28876	Hydroxyprolyl-Valine	CC(C)C(N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C10H18N2O4/c1-5(2)8(11)9(14)12-4-6(13)3-7(12)10(15)16/h5-8,13H,3-4,11H2,1-2H3,(H,15,16)
HMDB34144	Yangonin	COC1=CC=C(\C=C\C2=CC(OC)=CC(=O)O2)C=C1	InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+
HMDB28874	Hydroxyprolyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C16H19N3O4/c17-12(5-9-7-18-13-4-2-1-3-11(9)13)15(21)19-8-10(20)6-14(19)16(22)23/h1-4,7,10,12,14,18,20H,5-6,8,17H2,(H,22,23)
HMDB31398	Mosin C	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCC(=O)CCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3
HMDB31399	Annopentocin C	[H][C@]1(CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1)[C@@H](O)CCC(O)C(O)CCCCCCCCCCCC	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31?,32?,33-,34-/m0/s1
HMDB28879	Histidinyl-Arginine	NC(CCCNC(N)=N)C(=O)NC(CC1=CN=CN1)C(O)=O	InChI=1S/C12H21N7O3/c13-8(2-1-3-17-12(14)15)10(20)19-9(11(21)22)4-7-5-16-6-18-7/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)
HMDB34149	Prunitrin	COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3
HMDB38872	Erybraedin A	CC(C)=CCC1=C(O)C=CC2=C1OC1C2COC2=C1C=CC(O)=C2CC=C(C)C	InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
HMDB38873	Isoglycycoumarin	COC1=C2CCC(C)(C)OC2=CC2=C1C=C(C(=O)O2)C1=CC=C(O)C=C1O	InChI=1S/C21H20O6/c1-21(2)7-6-13-18(27-21)10-17-15(19(13)25-3)9-14(20(24)26-17)12-5-4-11(22)8-16(12)23/h4-5,8-10,22-23H,6-7H2,1-3H3
HMDB38870	Neobifurcose	OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C24H42O21/c25-1-8-13(32)18(36)22(5-28,41-8)39-4-11-12(31)16(35)17(44-23(6-29)19(37)14(33)9(2-26)42-23)21(40-11)45-24(7-30)20(38)15(34)10(3-27)43-24/h8-21,25-38H,1-7H2
HMDB38871	Sesamose	OCC1OC(OCC2OC(CO)(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)19(37)23(43-8)45-24(5-27)20(38)13(31)9(44-24)4-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2
HMDB38876	Albanin D	CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O	InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13-14,26-27,29H,4,6,12H2,1-3H3/b16-7+
HMDB38877	Dihydrocycloartomunin	COC1=CC(O)=C2C(=O)C3=C(OC2=C1CC=C(C)C)C1=CC(O)=C(O)C=C1OC3C=C(C)C	InChI=1S/C26H26O7/c1-12(2)6-7-14-19(31-5)11-18(29)22-24(30)23-21(8-13(3)4)32-20-10-17(28)16(27)9-15(20)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3
HMDB38874	Licopyranocoumarin	COC1=C2CCC(C)(CO)OC2=CC2=C1C=C(C(=O)O2)C1=CC=C(O)C=C1O	InChI=1S/C21H20O7/c1-21(10-22)6-5-13-18(28-21)9-17-15(19(13)26-2)8-14(20(25)27-17)12-4-3-11(23)7-16(12)24/h3-4,7-9,22-24H,5-6,10H2,1-2H3
HMDB38875	Gancaonin Q	CC(C)=CCC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(O)C(CC=C(C)C)=C2O	InChI=1S/C25H26O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-13,26-27,29H,7,9H2,1-4H3
HMDB38878	Cycloartomunin	COC1=CC2=C(C=C1O)C1=C(C(O2)C=C(C)C)C(=O)C2=C(O1)C1=C(OC(C)(C)C=C1)C=C2O	InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3
HMDB38879	Albanin E	CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC(=CC2=O)C2=C(O)C=C(O)C=C2)C=C1O	InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-18-20(28)12-23-24(25(18)30)21(29)13-22(31-23)17-10-8-16(26)11-19(17)27/h5,7-8,10-13,26-28,30H,4,6,9H2,1-3H3/b15-7+
HMDB33730	L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol	OCC(O)C(O)(CO)CO	InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2
HMDB33731	Quinoline	C1=CC2=C(C=C1)N=CC=C2	InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
HMDB33732	Pisatin	COC1=CC=C2C3OC4=C(C=C5OCOC5=C4)C3(O)COC2=C1	InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3
HMDB33733	2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one	OC1OC2=CC=CC=C2N(O)C1=O	InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H
HMDB33734	DIBOA-Glc	OCC1OC(OC2OC3=CC=CC=C3N(O)C2=O)C(O)C(O)C1O	InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2
HMDB33735	Graveolone	CC1(C)CC(=O)C2=CC3=C(OC(=O)C=C3)C=C2O1	InChI=1S/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H3
HMDB33736	Homofureanol	CCC1OC(C)=C(O)C1=O	InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3
HMDB33737	Dehydronuciferine	COC1=CC2=C3C(=CC4=CC=CC=C4C3=C1OC)N(C)CC2	InChI=1S/C19H19NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,10-11H,8-9H2,1-3H3
HMDB33738	Naringin 4'-glucoside	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(C(=O)CC(O3)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)=C2)C(O)C(O)C1O	InChI=1S/C33H42O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-7,11,17,19-20,22-36,38-45H,8-10H2,1H3
HMDB33739	Floribundoside	OCC1OC(OC2=CC(O)=CC3=C2C(=O)CC(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2
HMDB39475	Galactopinitol A	CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13-/m1/s1
HMDB39474	Capsianoside H	CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O	InChI=1S/C70H114O28/c1-13-69(11,97-67-57(83)53(79)50(76)45(32-71)92-67)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)62(49(75)43(10)90-64)96-66-56(82)55(81)52(78)47(94-66)35-89-65-59(85)61(48(74)42(9)91-65)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-68-58(84)54(80)51(77)46(33-72)93-68/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+
HMDB39477	Acetylsoyasaponin A2	CC(=O)OCC1OC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C61H94O28/c1-25(64)78-23-33-44(80-26(2)65)47(81-27(3)66)48(82-28(4)67)55(84-33)86-43-31(68)22-79-52(42(43)74)89-50-49(75)56(5,6)20-30-29-12-13-35-58(8)16-15-36(59(9,24-63)34(58)14-17-61(35,11)60(29,10)19-18-57(30,50)7)85-54-46(40(72)39(71)45(87-54)51(76)77)88-53-41(73)38(70)37(69)32(21-62)83-53/h12,30-50,52-55,62-63,68-75H,13-24H2,1-11H3,(H,76,77)
HMDB39476	Acetylsoyasaponin A1	CC(=O)OCC1OC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C67H104O33/c1-26(71)87-24-35-48(89-27(2)72)52(90-28(3)73)53(91-29(4)74)61(94-35)96-47-32(75)23-88-57(46(47)83)100-55-54(84)62(5,6)20-31-30-12-13-37-64(8)16-15-38(65(9,25-70)36(64)14-17-67(37,11)66(30,10)19-18-63(31,55)7)95-60-51(44(81)43(80)49(97-60)56(85)86)99-59-50(42(79)40(77)34(22-69)93-59)98-58-45(82)41(78)39(76)33(21-68)92-58/h12,31-55,57-61,68-70,75-84H,13-25H2,1-11H3,(H,85,86)
HMDB39471	3-(4-Hydroxy-2-methoxyphenyl)-2-propenal	COC1=C(\C=C\C=O)C=CC(O)=C1	InChI=1S/C10H10O3/c1-13-10-7-9(12)5-4-8(10)3-2-6-11/h2-7,12H,1H3/b3-2+
HMDB39470	(1S,2S,4R,8R)-p-Menthane-1,2,9-triol	CC(CO)C1CCC(C)(O)C(O)C1	InChI=1S/C10H20O3/c1-7(6-11)8-3-4-10(2,13)9(12)5-8/h7-9,11-13H,3-6H2,1-2H3
HMDB39473	3-(2,4-Dihydroxyphenyl)-1,2-propanediol; 2'-Me ether, 4'-O-b-D-glucopyranoside	COC1=C(CC(O)CO)C=CC(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C16H24O9/c1-23-11-5-10(3-2-8(11)4-9(19)6-17)24-16-15(22)14(21)13(20)12(7-18)25-16/h2-3,5,9,12-22H,4,6-7H2,1H3
HMDB39472	3,3'-Bisanigorufone	OC1=C(C2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1)C1=C(O)C(=O)C2=C(C=CC3=C2C1=CC=C3)C1=CC=CC=C1	InChI=1S/C38H22O4/c39-35-31-25(21-9-3-1-4-10-21)19-17-23-13-7-15-27(29(23)31)33(37(35)41)34-28-16-8-14-24-18-20-26(22-11-5-2-6-12-22)32(30(24)28)36(40)38(34)42/h1-20,41-42H
HMDB47001	TG(22:0/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-60H2,1-3H3/b11-8-,20-17-,29-26-,38-35-
HMDB47000	TG(22:0/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,33,39,42,59H,4-8,10-11,13-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,33-27-,42-39-
HMDB47003	TG(22:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40,43,63H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-
HMDB47002	TG(22:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,61H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-60H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-
HMDB39479	Acetylsoyasaponin A3	CC(=O)OCC1OC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C60H92O27/c1-25(62)76-23-33-43(79-26(2)63)46(80-27(3)64)47(81-28(4)65)54(82-33)84-42-32(67)22-78-52(41(42)72)87-49-48(73)55(5,6)20-30-29-12-13-35-57(8)16-15-36(58(9,24-61)34(57)14-17-60(35,11)59(29,10)19-18-56(30,49)7)83-53-45(39(70)38(69)44(85-53)50(74)75)86-51-40(71)37(68)31(66)21-77-51/h12,30-49,51-54,61,66-73H,13-24H2,1-11H3,(H,74,75)
HMDB39478	Acetylsoyasaponin A6	CC(=O)OC1COC(OC2C(O)COC(OC3C(O)C(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)=O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)C2O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C57H88O25/c1-24(59)75-31-22-74-50(44(77-26(3)61)41(31)76-25(2)60)79-40-30(63)21-73-49(39(40)68)82-46-45(69)52(4,5)19-28-27-11-12-33-54(7)15-14-34(55(8,23-58)32(54)13-16-57(33,10)56(27,9)18-17-53(28,46)6)78-51-43(37(66)36(65)42(80-51)47(70)71)81-48-38(67)35(64)29(62)20-72-48/h11,28-46,48-51,58,62-69H,12-23H2,1-10H3,(H,70,71)
HMDB47007	TG(24:0/14:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB47006	TG(24:0/14:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h14,17,52H,4-13,15-16,18-51H2,1-3H3/b17-14-
HMDB31646	Acetic anhydride	CC(=O)OC(C)=O	InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
HMDB31647	Acrylic acid	OC(=O)C=C	InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
HMDB31644	1,1-Diethoxyethane	CCOC(C)OCC	InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
HMDB31645	Acetamide	CC(N)=O	InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
HMDB31642	N-Nitroso-pyrrolidine	O=NN1CCCC1	InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
HMDB31643	Pyruvic acid, 8CI; Et ester	CCOC(=O)C(C)=O.CCOC(=O)C(O)=C	InChI=1S/2C5H8O3/c2*1-3-8-5(7)4(2)6/h3H2,1-2H3;6H,2-3H2,1H3
HMDB31640	Glycerol 1-alkanoates; Glycerol 1-propanoate, Di-Ac	CCC(=O)OCC(COC(C)=O)OC(C)=O	InChI=1S/C10H16O6/c1-4-10(13)15-6-9(16-8(3)12)5-14-7(2)11/h9H,4-6H2,1-3H3
HMDB31641	Pyrrolidine	C1CCNC1	InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
HMDB44264	TG(16:0/18:2(9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,28,30,54H,4-12,14-15,17-19,21,24,26-27,29,31-53H2,1-3H3/b16-13-,23-20-,25-22-,30-28-
HMDB44265	TG(16:0/18:2(9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,55H,4-15,17-18,21-22,24,26,29,32,34-54H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,33-31-
HMDB44267	TG(16:0/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,32,57H,4-15,17-18,21-22,24,26,29-31,33-56H2,1-3H3/b19-16-,23-20-,27-25-,32-28-
HMDB44260	TG(16:0/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,32,57H,4-19,21-22,24,26,29-31,33-56H2,1-3H3/b23-20-,27-25-,32-28-
HMDB44261	TG(16:0/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,34,59H,4-19,21-22,24,26,29-33,35-58H2,1-3H3/b23-20-,27-25-,34-28-
HMDB31648	2,4-Pentanedione	CC(=O)CC(C)=O.C\C(O)=C\C(C)=O	InChI=1S/2C5H8O2/c2*1-4(6)3-5(2)7/h3H2,1-2H3;3,6H,1-2H3/b;4-3-
HMDB44263	TG(16:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26-29,34,37,53H,4-16,18,21,23-25,30-33,35-36,38-52H2,1-3H3/b20-17-,22-19-,28-26-,29-27-,37-34-
HMDB42631	TG(14:0/20:4(5Z,8Z,11Z,14Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h16,19,23-24,26-27,33,36,48H,4-15,17-18,20-22,25,28-32,34-35,37-47H2,1-3H3/b19-16-,24-23-,27-26-,36-33-
HMDB42630	TG(14:0/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-53(52-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,53H,4-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b19-16-,26-24-,31-29-
HMDB42633	TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,35,38,50H,4-15,17-18,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b19-16-,25-24-,29-27-,38-35-
HMDB42632	TG(14:0/20:4(5Z,8Z,11Z,14Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,34,37,49H,4-15,17-18,20-23,26,29-33,35-36,38-48H2,1-3H3/b19-16-,25-24-,28-27-,37-34-
HMDB42635	TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,31,33,39,42,54H,4-16,18-19,21-24,26,28-30,32,34-38,40-41,43-53H2,1-3H3/b20-17-,27-25-,33-31-,42-39-
HMDB42634	TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,37,40,52H,4-15,17-18,20-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b19-16-,26-24-,31-29-,40-37-
HMDB42637	TG(14:0/20:4(5Z,8Z,11Z,14Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,35,37,43,46,58H,4-16,18-19,21-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b20-17-,27-25-,37-35-,46-43-
HMDB42636	TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,33,35,41,44,56H,4-16,18-19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b20-17-,27-25-,35-33-,44-41-
HMDB42639	TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,27,29,35,38,50H,4-15,17-18,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-,38-35-
HMDB42638	TG(14:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14,16-17,19,23-24,26-27,33,36,48H,4-13,15,18,20-22,25,28-32,34-35,37-47H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,36-33-
HMDB59329	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67,69-71,74,89-91,96H,5-9,12-13,16-20,29-32,41-43,47,51-52,54,61,63-64,66,68,72-73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,74-70-/t89?,90-,91-/m1/s1
HMDB37495	3-Methylbutyl nonanoate	CCCCCCCCC(=O)OCCC(C)C	InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
HMDB37494	3'-Deoxyoleacein	C\C=C(/C=O)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1	InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2+
HMDB37497	2-Octenoic acid, 9CI; (E)-form, Et ester	CCCCC\C=C/C(=O)OCC	InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8-
HMDB37496	2-Octenoic acid, 9CI; (E)-form, Me ester	CCCCC\C=C/C(=O)OC	InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7-
HMDB37491	Liquiritin apioside	OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2
HMDB37490	Neoliquiritin	OCC1OC(OC2=CC3=C(C=C2)C(=O)CC(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2
HMDB37493	S-2-Propenyl propanethioate	CCC(=O)SCC=C	InChI=1S/C6H10OS/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
HMDB37492	3-Methyl-3-(4-methylphenyl)oxiranecarboxylic acid, 9CI; Et ester	CCOC(=O)C1OC1(C)C1=CC=C(C)C=C1	InChI=1S/C13H16O3/c1-4-15-12(14)11-13(3,16-11)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3
HMDB37499	3'-N'-Acetylfusarochromanone	CC(=O)NC(CO)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N	InChI=1S/C17H22N2O5/c1-9(21)19-10(8-20)6-12(22)11-4-5-14-15(16(11)18)13(23)7-17(2,3)24-14/h4-5,10,20H,6-8,18H2,1-3H3,(H,19,21)
HMDB37498	1-Ethenylhexyl butanoate	CCCCCC(OC(=O)CCC)C=C	InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
HMDB42989	TG(15:0/15:0/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3
HMDB42988	TG(15:0/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C50H98O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(55-50(52)44-41-38-35-32-28-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-31-29-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
HMDB30119	Perulactone B	CC1C(CC(O)C(C)(O)C2(O)CCC3(O)C4CC=C5CC=CC(=O)C5(C)C4CCC23C)COC1=O	InChI=1S/C28H40O7/c1-16-17(15-35-23(16)31)14-22(30)26(4,32)28(34)13-12-27(33)20-9-8-18-6-5-7-21(29)25(18,3)19(20)10-11-24(27,28)2/h5,7-8,16-17,19-20,22,30,32-34H,6,9-15H2,1-4H3
HMDB30118	Sarsaparilloside	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C57H96O28/c1-21(19-75-50-43(69)40(66)36(62)30(16-58)79-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)78-54-49(84-53-46(72)42(68)38(64)32(18-60)81-53)47(73)48(83-52-45(71)39(65)35(61)23(3)77-52)33(82-54)20-76-51-44(70)41(67)37(63)31(17-59)80-51/h21-54,58-74H,6-20H2,1-5H3
HMDB37729	2-Furanylmethyl butanoate	CCCC(=O)OCC1=CC=CO1	InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3
HMDB37728	2-Furanylmethyl propanoate	CCC(=O)OCC1=CC=CO1	InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
HMDB30111	Homoferreirin	COC1=CC(OC)=C(C=C1)C1COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
HMDB30110	Celerin	COC1=C(O)C2=C(C=CC(=O)O2)C(=C1)C(C)(C)C=C	InChI=1S/C15H16O4/c1-5-15(2,3)10-8-11(18-4)13(17)14-9(10)6-7-12(16)19-14/h5-8,17H,1H2,2-4H3
HMDB37721	2-Phenylethyl 3-methyl-2-butenoate	CC(C)=CC(=O)OCCC1=CC=CC=C1	InChI=1S/C13H16O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
HMDB30112	Kuwanon J	CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C(=CC=C2O)C(=O)\C=C\C2=C(O)C=C(O)C=C2)C2=CC=C(O)C=C2O)=C1O	InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+
HMDB30115	Kuwanon V	CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C(=CC=C2O)C(=O)\C=C\C2=CC=C(O)C=C2)C2=CC=C(O)C=C2)=C1O	InChI=1S/C40H38O8/c1-22(2)4-14-28-34(44)18-16-30(38(28)46)40(48)36-31(25-8-12-27(42)13-9-25)20-23(3)21-32(36)37-35(45)19-15-29(39(37)47)33(43)17-7-24-5-10-26(41)11-6-24/h4-13,15-19,21,31-32,36,41-42,44-47H,14,20H2,1-3H3/b17-7+
HMDB30114	Kuwanon R	CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C(=CC=C2O)C(=O)\C=C\C2=CC=C(O)C=C2)C2=CC=C(O)C=C2O)=C1O	InChI=1S/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-10,12-17,19-20,30-31,36,41-42,44-48H,11,18H2,1-3H3/b15-7+
HMDB30117	Asparagoside G	CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H86O24/c1-20(19-67-45-39(62)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-48-42(65)44(74-47-41(64)38(61)35(58)30(17-54)71-47)43(31(18-55)72-48)73-46-40(63)37(60)34(57)29(16-53)70-46/h20-48,52-66H,5-19H2,1-4H3
HMDB30116	Withaperuvin D	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC4OC5CC(=O)C(C)(C3CCC12C)C4(O)C5O	InChI=1S/C28H40O9/c1-13-10-19(37-22(31)14(13)2)25(5,32)27(34)9-8-26(33)16-11-20-28(35)21(30)17(36-20)12-18(29)24(28,4)15(16)6-7-23(26,27)3/h15-17,19-21,30,32-35H,6-12H2,1-5H3
HMDB59396	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-8,10,12,14,16-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59397	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,12-13,16,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,10-11,14-15,17-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB59394	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-39,43-49,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,10,12,14,16-20,24,28-32,40-42,50-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59395	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,69-71,73,88-90,95H,5-8,10,12,14,16-20,24,29-31,36,41-43,51-53,56,60,62-65,68,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB59392	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-8,10,12,14,16-20,24,29-31,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59393	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,10,12,14,16-20,24,29-31,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59390	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-56,58,63-64,66-68,70,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,57,59-62,65,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB59391	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-8,10,12,14,16-20,24,28-32,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB59398	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-40,45-52,57-64,69-70,72-74,76,91-93,98H,5-8,10,14,17-20,29-32,41-44,53-56,65-68,71,75,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,76-72-/t91?,92-,93-/m1/s1
HMDB59399	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-8,10,14,17-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB08790	PC(24:1(15Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C47H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-29-19-17-15-13-11-9-7-2/h20-21,45H,6-19,22-44H2,1-5H3/b21-20-/t45-/m1/s1
HMDB08791	PC(24:1(15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-28-19-17-15-13-11-9-7-2/h20-21,46H,6-19,22-45H2,1-5H3/b21-20-/t46-/m1/s1
HMDB08792	PC(24:1(15Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-28-19-17-15-13-11-9-7-2/h17,19-21,46H,6-16,18,22-45H2,1-5H3/b19-17-,21-20-/t46-/m1/s1
HMDB08793	PC(24:1(15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/b22-20-/t48-/m1/s1
HMDB08794	PC(24:1(15Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h17,19-20,22,48H,6-16,18,21,23-47H2,1-5H3/b19-17-,22-20-/t48-/m1/s1
HMDB08795	PC(24:1(15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h20-22,28,48H,6-19,23-27,29-47H2,1-5H3/b22-20-,28-21-/t48-/m1/s1
HMDB08796	PC(24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h15,17,20-22,28,48H,6-14,16,18-19,23-27,29-47H2,1-5H3/b17-15-,22-20-,28-21-/t48-/m1/s1
HMDB08797	PC(24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h15,17,20-22,28,33,35,48H,6-14,16,18-19,23-27,29-32,34,36-47H2,1-5H3/b17-15-,22-20-,28-21-,35-33-/t48-/m1/s1
HMDB08798	PC(24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,28,48H,6-8,10,12-14,16,18-19,23-27,29-47H2,1-5H3/b11-9-,17-15-,22-20-,28-21-/t48-/m1/s1
HMDB08799	PC(24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,28,33,35,48H,6-8,10,12-14,16,18-19,23-27,29-32,34,36-47H2,1-5H3/b11-9-,17-15-,22-20-,28-21-,35-33-/t48-/m1/s1
HMDB47116	TG(24:0/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,66H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b20-17-,29-26-,38-35-,46-43-
HMDB14258	R-138727	OC(=O)CC1=C(S)CCN(C1)C(C(=O)C1CC1)C1=CC=CC=C1F	InChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,11,17,24H,5-10H2,(H,21,22)
HMDB14259	Goserelin	CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O	InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1
HMDB14256	Tafluprost free acid	OC1CC(O)C(\C=C\C(F)(F)COC2=CC=CC=C2)C1C\C=C/CCCC(O)=O	InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+
HMDB14257	E-10-Hydroxydesmethylnortriptyline	NCC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12	InChI=1S/C18H19NO/c19-11-5-10-15-14-7-2-1-6-13(14)12-18(20)17-9-4-3-8-16(15)17/h1-4,6-10,18,20H,5,11-12,19H2/b15-10+
HMDB08246	PC(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27-28,30-31,33,44H,6-8,10,12-13,18-19,23,26,29,32,34-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1
HMDB08247	PC(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27-28,30,44H,6-7,12-13,18-19,23,26,29,31-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-/t44-/m1/s1
HMDB08244	PC(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24-25,27-28,30-31,33,44H,6-8,10,12-14,16,18-19,23,26,29,32,34-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1
HMDB08245	PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27-28,30,44H,6-8,10,12-13,18-19,23,26,29,31-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-/t44-/m1/s1
HMDB08242	PC(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24,28,30,44H,6-8,10,12-14,16,18-19,23,25-27,29,31-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,30-28-/t44-/m1/s1
HMDB08243	PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,28,30,44H,6-8,10,12-13,18-19,23,25-27,29,31-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,30-28-/t44-/m1/s1
HMDB08240	PC(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,42H,6-7,12-13,18-19,24-25,30-41H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t42-/m1/s1
HMDB08241	PC(18:4(6Z,9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,28,30,44H,6-8,10,12-14,16,18-20,22-23,25-27,29,31-43H2,1-5H3/b11-9-,17-15-,24-21-,30-28-/t44-/m1/s1
HMDB08248	PC(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H74NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27-28,30-31,33,44H,6-7,12-13,18-19,23,26,29,32,34-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1
HMDB08249	PC(18:4(6Z,9Z,12Z,15Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,30,32,46H,6-8,10,12-14,16,18-20,22-25,27-29,31,33-45H2,1-5H3/b11-9-,17-15-,26-21-,32-30-/t46-/m1/s1
HMDB48857	TG(16:1(9Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,33,36,42,45,58H,4-15,17-18,20,22-23,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,36-33-,45-42-
HMDB36458	1-Aminocyclopropanecarboxylic acid	NC1(CC1)C(O)=O	InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
HMDB36459	Macelignan	COC1=C(O)C=CC(CC(C)C(C)CC2=CC=C3OCOC3=C2)=C1	InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3
HMDB36452	alpha-Cadinol	CC(C)C1CCC(C)(O)C2CCC(C)=CC12	InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3
HMDB36453	3,4-Dihydrocadalene	CC(C)C1CC=C(C)C2=C1C=C(C)C=C2	InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3
HMDB36450	(4alpha,10alpha)-1(5),6-Guaiadiene	CC(C)C1=CC2=C(CCC2C)C(C)CC1	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3
HMDB36451	(S)-gamma-Calacorene	CC(C)C1=CCC(C)C2=C1C=C(C)C=C2	InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3
HMDB36456	10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one	COC1=CC2=C(C=C1C)C(=CC(=O)C2(C)O)C(C)C	InChI=1S/C16H20O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,18H,1-5H3
HMDB36457	Emodinanthranol	CC1=CC2=CC3=C(C(O)=CC(O)=C3)C(O)=C2C(O)=C1.CC1=CC(O)=C2C(=O)C3=C(CC2=C1)C=C(O)C=C3O	InChI=1S/2C15H12O4/c2*1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3;2-6,16-19H,1H3
HMDB36454	Pyrocurzerenone	CC1=COC2=C1C1=C(CCC(C)=C1)C(C)=C2	InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6-8H,4-5H2,1-3H3
HMDB36455	Lacinilene C	CC(C)C1=CC(=O)C(C)(O)C2=C1C=C(C)C(O)=C2	InChI=1S/C15H18O3/c1-8(2)10-6-14(17)15(4,18)12-7-13(16)9(3)5-11(10)12/h5-8,16,18H,1-4H3
HMDB48852	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,33,39,42,55H,4-15,17-18,20,22-23,26,28-29,31-32,34-38,40-41,43-54H2,1-3H3/b19-16-,24-21-,27-25-,33-30-,42-39-
HMDB36733	Vulgarone A	CC1=CC2C3C(=O)C1C3(C)CCCC2(C)C	InChI=1S/C15H22O/c1-9-8-10-12-13(16)11(9)15(12,4)7-5-6-14(10,2)3/h8,10-12H,5-7H2,1-4H3
HMDB48851	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-6,8-9,11-15,18,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB33920	Liensinine	COC1=CC2=C(C=C1OC)C(CC1=CC=C(O)C(OC3=CC4=C(CCN(C)C4CC4=CC=C(O)C=C4)C=C3OC)=C1)N(C)CC2	InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3
HMDB36731	beta-Neoclovene	CC1(C)CC23CCC1C2(C)CCCC3=C	InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h12H,1,5-10H2,2-4H3
HMDB36730	Tricyclohumuladiol	CC12CC1C1C(CC1(C)C)C(C)(O)CCC2O	InChI=1S/C15H26O2/c1-13(2)7-10-12(13)9-8-14(9,3)11(16)5-6-15(10,4)17/h9-12,16-17H,5-8H2,1-4H3
HMDB36737	delta-Patchoulene	CC1CC=C2C1CC1CCC2(C)C1(C)C	InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h6,10-12H,5,7-9H2,1-4H3
HMDB33924	Cajanol	COC1=CC2=C(C(O)=C1)C(=O)C(CO2)C1=C(OC)C=C(O)C=C1	InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3
HMDB46002	TG(20:0/22:2(13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,60H,4-15,17-18,20,22-23,26-27,29-59H2,1-3H3/b19-16-,24-21-,28-25-
HMDB36735	Bilobalide A	CC(C)(C)C1(O)CC2OC(=O)CC22C(=O)OC3OC(=O)C(O)C123	InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3
HMDB58519	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-37,39-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,38,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB46003	TG(20:0/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,34,60H,4-15,17-18,20-24,26,29-33,35-59H2,1-3H3/b19-16-,28-25-,34-27-
HMDB58517	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-36,38-41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58516	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37,39-42,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-32,36,38,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58515	CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB36734	11,12,13-Trinor-1(10)-spirovetivene-2,7-dione	CC1CC(=O)C=C(C)C11CCC(=O)C1	InChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3
HMDB58513	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB46000	TG(20:0/22:2(13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,56H,4-14,17,20-23,25,27-55H2,1-3H3/b18-15-,19-16-,26-24-
HMDB13701	3-oxoglutaric acid	[H]OC(=O)C([H])([H])C(=O)C([H])([H])C(=O)O[H]	InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
HMDB58510	CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-38,40-44,47,51,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34,39,45-46,48-50,52-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-/t80?,81-,82-/m1/s1
HMDB34915	Calonectrin	CC(=O)OCC12CCC(C)=CC1OC1C(CC2(C)C11CO1)OC(C)=O	InChI=1S/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-14(24-13(3)21)8-17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3
HMDB34914	Dulxanthone F	COC1=CC(OC)=C(OC)C2=C1C(=O)C1=C(O2)C=C2OC(C)(C)C=CC2=C1O	InChI=1S/C21H20O7/c1-21(2)7-6-10-11(28-21)8-13-15(17(10)22)18(23)16-12(24-3)9-14(25-4)19(26-5)20(16)27-13/h6-9,22H,1-5H3
HMDB34917	Xanthohumol E	CC(C)=CCC1=C(O)C2=C(OC(C)(C)C=C2)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O	InChI=1S/C25H26O5/c1-15(2)5-11-18-22(28)19-13-14-25(3,4)30-24(19)21(23(18)29)20(27)12-8-16-6-9-17(26)10-7-16/h5-10,12-14,26,28-29H,11H2,1-4H3/b12-8+
HMDB34916	cis-2-Thujen-4-ol	CC(C)C12CC1C(C)(O)C=C2	InChI=1S/C10H16O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h4-5,7-8,11H,6H2,1-3H3
HMDB34911	(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid	OC(=O)CC(=O)NC(C#N)C1=CC=CC=C1	InChI=1S/C11H10N2O3/c12-7-9(8-4-2-1-3-5-8)13-10(14)6-11(15)16/h1-5,9H,6H2,(H,13,14)(H,15,16)
HMDB34910	(R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide	CC(N)C(=O)NC1C(C)(C)SC1(C)C	InChI=1S/C10H20N2OS/c1-6(11)7(13)12-8-9(2,3)14-10(8,4)5/h6,8H,11H2,1-5H3,(H,12,13)
HMDB34913	Imazamethabenz-methyl	COC(=O)C1=CC=C(C)C=C1C1=NC(C)(C(C)C)C(=O)N1.COC(=O)C1=CC(C)=CC=C1C1=NC(C)(C(C)C)C(=O)N1	InChI=1S/2C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5;1-9(2)16(4)15(20)17-13(18-16)11-7-6-10(3)8-12(11)14(19)21-5/h2*6-9H,1-5H3,(H,17,18,20)
HMDB34912	(S)-N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine	CC(NC1=NC(=O)CN1C)C(O)=O	InChI=1S/C7H11N3O3/c1-4(6(12)13)8-7-9-5(11)3-10(7)2/h4H,3H2,1-2H3,(H,12,13)(H,8,9,11)
HMDB46006	TG(20:0/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-
HMDB48858	TG(16:1(9Z)/22:2(13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,60H,4-16,18-19,22-23,29-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-
HMDB34919	Taraxasterone	CC1C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1=C	InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3
HMDB34918	Sawamilletin	COC1CCC2(C)C(CCC3(C)C2CCC2(C)C4CC(C)(C)CCC4(C)CC=C32)C1(C)C	InChI=1S/C31H52O/c1-26(2)18-19-28(5)14-10-22-30(7)15-11-21-27(3,4)25(32-9)13-17-29(21,6)23(30)12-16-31(22,8)24(28)20-26/h10,21,23-25H,11-20H2,1-9H3
HMDB46007	TG(20:0/22:2(13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,66H,4-16,18-19,21-24,27,30-65H2,1-3H3/b20-17-,28-25-,29-26-
HMDB46004	TG(20:0/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,62H,4-15,17-18,20-24,27,30-61H2,1-3H3/b19-16-,28-25-,29-26-
HMDB46005	TG(20:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,36,39,45,48,62H,4-15,17-18,20-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,39-36-,48-45-
HMDB15666	Lornoxicam	CN1\C(=C(\O)NC2=CC=CC=N2)C(=O)C2=C(C=C(Cl)S2)S1(=O)=O	InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,19H,1H3,(H,15,16)/b13-10+
HMDB15667	Sulfaphenazole	NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1	InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
HMDB15662	Fosaprepitant	[H]OP(=O)(O[H])N1N([H])C(=NC1=O)C([H])([H])N1C([H])([H])C([H])([H])O[C@]([H])(O[C@@]([H])(C2=C([H])C(=C([H])C(=C2[H])C(F)(F)F)C(F)(F)F)C([H])([H])[H])[C@]1([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1
HMDB15663	Stanozolol	CC1(O)CCC2C3CCC4CC5=NNC=C5CC4(C)C3CCC12C	InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)
HMDB15661	Fospropofol	[Na+].[Na+].CC(C)C1=CC=CC(C(C)C)=C1OCOP([O-])([O-])=O	InChI=1S/C13H21O5P.2Na/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16;;/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16);;/q;2*+1/p-2
HMDB15668	Gestodene	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C	InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
HMDB15669	Drotaverine	CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1	InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-
HMDB34124	Fonsecin	COC1=CC(O)=CC2=C1C(O)=C1C(=O)CC(C)(O)OC1=C2	InChI=1S/C15H14O6/c1-15(19)6-9(17)13-11(21-15)4-7-3-8(16)5-10(20-2)12(7)14(13)18/h3-5,16,18-19H,6H2,1-2H3
HMDB34125	Licoisoflavone A	CC(C)=CCC1=C(O)C(=CC=C1O)C1=COC2=CC(O)=CC(O)=C2C1=O	InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
HMDB34126	Gyrocyanin	OC1=C(C(=O)C(C1=O)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C17H12O5/c18-11-5-1-9(2-6-11)13-15(20)14(17(22)16(13)21)10-3-7-12(19)8-4-10/h1-8,13,18-19,22H
HMDB29320	(3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol	CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-19,21-22,24-25,28-29H,6-16H2,1-5H3
HMDB29321	Asparagoside F	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)CO1	InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-47-40(62)43(71-45-38(60)35(57)34(56)29(15-51)66-45)42(31(17-53)68-47)70-46-39(61)36(58)41(30(16-52)67-46)69-44-37(59)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3
HMDB29322	1-Hydroxy-3-methoxy-10-methylacridone	COC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC=C1N2C	InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3
HMDB29323	Citpressine I	COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC)=C(O)C=C1	InChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-12(19)13(10)15(20)9-4-5-11(18)16(22-3)14(9)17/h4-7,18-19H,1-3H3
HMDB29324	Citpressine II	COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC)=C(OC)C=C1	InChI=1S/C17H17NO5/c1-18-11-7-9(21-2)8-12(19)14(11)16(20)10-5-6-13(22-3)17(23-4)15(10)18/h5-8,19H,1-4H3
HMDB29325	3,6-Ditigloyloxytropan-7-ol	C\C=C(/C)C(=O)OC1C(O)C2CC(CC1N2C)OC(=O)C(\C)=C\C	InChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+
HMDB29326	Gravacridonediol	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(C)(O)CO)C=C2O	InChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3
HMDB29327	Gravacridonediol methyl ether	COCC(C)(O)C1CC2=C(O1)C=C(O)C1=C2N(C)C2=C(C=CC=C2)C1=O	InChI=1S/C20H21NO5/c1-20(24,10-25-3)16-8-12-15(26-16)9-14(22)17-18(12)21(2)13-7-5-4-6-11(13)19(17)23/h4-7,9,16,22,24H,8,10H2,1-3H3
HMDB29328	Gravacridonediol glucoside	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(C)(O)COC1OC(CO)C(O)C(O)C1O)C=C2O	InChI=1S/C25H29NO10/c1-25(33,10-34-24-23(32)22(31)21(30)16(9-27)36-24)17-7-12-15(35-17)8-14(28)18-19(12)26(2)13-6-4-3-5-11(13)20(18)29/h3-6,8,16-17,21-24,27-28,30-33H,7,9-10H2,1-2H3
HMDB29329	Gravacridonolchlorine	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(Cl)(CO)CO)C=C2O	InChI=1S/C19H18ClNO5/c1-21-12-5-3-2-4-10(12)18(25)16-13(24)7-14-11(17(16)21)6-15(26-14)19(20,8-22)9-23/h2-5,7,15,22-24H,6,8-9H2,1H3
HMDB53644	TG(20:2n6/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,60H,4-13,15,18,20-22,24,27,29-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-
HMDB53645	TG(20:2n6/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,32-33,38,41,60H,4-13,15,18,20-22,24,27,29-31,34-37,39-40,42-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-32-,41-38-
HMDB53642	TG(20:2n6/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,36,58H,4-13,15,18,20-22,24,27,29-32,34-35,37-57H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,36-33-
HMDB53643	TG(20:2n6/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,36,42,45,58H,4-13,15,18,20-22,24,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,36-33-,45-42-
HMDB53640	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,32-33,38,41,47,50,60H,4-6,8-9,11-13,15,18,20-22,24,27,29-31,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,33-32-,41-38-,50-47-
HMDB34121	1-Methoxy-4-(2-propenyl)benzene	COC1=CC=C(CC=C)C=C1	InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
HMDB31334	Glycerol alpha-monochlorohydrin	OCC(O)CCl	InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
HMDB34123	Eugenyl isovalerate	COC1=CC(CC=C)=CC=C1OC(=O)CC(C)C	InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3
HMDB44712	TG(18:0/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-
HMDB44713	TG(18:0/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,55H,4-15,17-18,20-24,26,28,31-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,37-34-
HMDB44714	TG(18:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,42,45,55H,4-15,17-18,20-24,26,28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,37-34-,45-42-
HMDB37614	Pteleine	COC1=CC2=C(C=C1)N=C1OC=CC1=C2OC	InChI=1S/C13H11NO3/c1-15-8-3-4-11-10(7-8)12(16-2)9-5-6-17-13(9)14-11/h3-7H,1-2H3
HMDB44715	TG(18:0/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,51H,4-6,8-9,11-15,17-18,20-24,26,28-50H2,1-3H3/b10-7-,19-16-,27-25-
HMDB00822	p-Hydroxymandelic acid	OC(C(O)=O)C1=CC=C(O)C=C1	InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
HMDB00820	Propyl alcohol	CCCO	InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
HMDB00821	Phenylacetylglycine	OC(=O)CNC(=O)CC1=CC=CC=C1	InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
HMDB00826	Pentadecanoic acid	CCCCCCCCCCCCCCC(O)=O	InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
HMDB00827	Stearic acid	CCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
HMDB00824	Propionylcarnitine	CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3
HMDB00825	3'-Sialyllactose	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C23H39NO19/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,23-/m0/s1
HMDB00828	Ureidosuccinic acid	NC(=O)N[C@@H](CC(O)=O)C(O)=O	InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1
HMDB00829	N-Stearoylsphingosine	CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+
HMDB53004	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-34,38,40-41,43,60H,4-15,17,20,22-24,30,32,35-37,39,42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-
HMDB14539	Carisoprodol	CCCC(C)(COC(N)=O)COC(=O)NC(C)C	InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
HMDB14538	Beclometasone dipropionate	[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C	InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
HMDB14531	Procyclidine	OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1	InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
HMDB14533	Carbimazole	CCOC(=O)N1C=CN(C)C1=S	InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
HMDB14535	Sulpiride	CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O	InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
HMDB14534	Digoxin	[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1	InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
HMDB14537	Nimodipine	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C	InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
HMDB14536	Ethopropazine	CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12	InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
HMDB00798	Oenanthic ether	CCCCCCC(=O)OCC	InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
HMDB00790	N-Palmitoylsphingosine	CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+
HMDB00791	L-Octanoylcarnitine	CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C	InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
HMDB00792	Sebacic acid	OC(=O)CCCCCCCCC(O)=O	InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
HMDB00793	Monoiodothyronine	N[C@H](CC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1)C(O)=O	InChI=1S/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)/t13-/m1/s1
HMDB00794	N-Acetyl-9-O-acetylneuraminic acid	CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)COC(C)=O)C(O)=O	InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1
HMDB00795	Pristanic acid	CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O	InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)
HMDB00796	N-Acetyl-4-O-acetylneuraminic acid	CC(=O)N[C@@H]1[C@H](C[C@](O)(O[C@H]1C(O)C(O)CO)C(O)=O)OC(C)=O	InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7?,8-,9+,10?,11+,13-/m0/s1
HMDB00797	SAICAR	NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O	InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1
HMDB52111	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,38,41-42,45,47,50,62H,4-17,19-20,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB52110	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,37,39,42,48,51,63H,4-20,22-23,27,31-36,38,40-41,43-47,49-50,52-62H2,1-3H3/b24-21-,28-25-,29-26-,37-30-,42-39-,51-48-
HMDB52113	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,40-41,43,49,52,64H,4-16,18-19,21-24,31-37,39,42,44-48,50-51,53-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,43-40-,52-49-
HMDB52112	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-35-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,39,42,48,51,63H,4-14,16-17,19-23,30-38,40-41,43-47,49-50,52-62H2,1-3H3/b18-15-,27-24-,28-25-,29-26-,42-39-,51-48-
HMDB52115	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,42,45,51,54,66H,4-16,18-19,21-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,45-42-,54-51-
HMDB52114	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,38,40-41,43,47,49-50,52,64H,4-16,18-19,21-24,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-,52-49-
HMDB52117	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,42-43,45-46,51-52,54-55,66H,4-16,18-19,21-24,31-34,36-37,39-41,44,47-50,53,56-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-,55-52-
HMDB52116	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-30,35,38,42-43,45-46,51,54,66H,4-16,18-19,21-24,31-34,36-37,39-41,44,47-50,52-53,55-65H2,1-3H3/b20-17-,28-25-,29-26-,30-27-,38-35-,45-42-,46-43-,54-51-
HMDB52119	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,38,41-42,45,47,50,62H,4-8,10-11,13-17,19-20,22-24,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB52118	TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,41-38-,50-47-
HMDB55729	TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43-44,46-47,60H,4-6,9,12-15,18,21-24,31-33,36,39-42,45,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB55728	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-32,34,40,43,57H,4-6,8-9,11-15,17-18,20-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b10-7-,19-16-,28-25-,31-27-,34-32-,43-40-
HMDB48141	TG(14:1(9Z)/20:3n6/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-29,31,52H,4-14,17,20-23,27,30,32-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,31-29-
HMDB56039	DG(18:0/0:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3
HMDB48140	TG(14:1(9Z)/20:3n6/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,29,31,52H,4-14,17,21-22,25,27-28,30,32-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-29-
HMDB48143	TG(14:1(9Z)/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,30-33,38,41,54H,4-14,16,19,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB56313	DG(20:2n6/0:0/22:4n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C44H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h10-13,16-19,22-23,27,29,42,45H,3-9,14-15,20-21,24-26,28,30-41H2,1-2H3/b12-10-,13-11-,18-16-,19-17-,23-22-,29-27-
HMDB48142	TG(14:1(9Z)/20:3n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,31,33,54H,4-14,16,19,21-23,28-30,32,34-53H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,33-31-
HMDB56312	DG(20:2n6/0:0/22:2n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C44H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h10-13,16-19,42,45H,3-9,14-15,20-41H2,1-2H3/b12-10-,13-11-,18-16-,19-17-
HMDB48145	TG(14:1(9Z)/20:3n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,35,37,58H,4-14,16,19,21-23,28-34,36,38-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,37-35-
HMDB56311	DG(20:2n6/0:0/20:4n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10-13,16-19,23,25,29,31,40,43H,3-9,14-15,20-22,24,26-28,30,32-39H2,1-2H3/b12-10-,13-11-,18-16-,19-17-,25-23-,31-29-
HMDB48144	TG(14:1(9Z)/20:3n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,33,35,56H,4-14,16,19,21-23,28-32,34,36-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,35-33-
HMDB56310	DG(20:2n6/0:0/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C42H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10-13,16-19,23,25,40,43H,3-9,14-15,20-22,24,26-39H2,1-2H3/b12-10-,13-11-,18-16-,19-17-,25-23-
HMDB48147	TG(14:1(9Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-29,31,33,36,52H,4-14,21-23,27,30,32,34-35,37-51H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-
HMDB56317	DG(20:2n6/0:0/20:4n3)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,23,25,40,43H,3-4,6,8-9,14-15,20-22,24,26-39H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-,25-23-
HMDB48146	TG(14:1(9Z)/20:3n6/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26-27,29-30,32,53H,4-14,17,21-22,25,28,31,33-52H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,29-27-,32-30-
HMDB56316	DG(20:2n6/0:0/18:4n3)	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8-9,11-12,14-15,17-18,20,24,26,38,41H,3-5,7,10,13,16,19,21-23,25,27-37H2,1-2H3/b8-6-,11-9-,14-12-,17-15-,20-18-,26-24-
HMDB56223	DG(20:1n9/0:0/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,41,44H,3-10,12,14-16,21-22,24,26-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-
HMDB56314	DG(20:2n6/0:0/22:5n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C44H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h10-13,16-19,22-23,27,29,33,35,42,45H,3-9,14-15,20-21,24-26,28,30-32,34,36-41H2,1-2H3/b12-10-,13-11-,18-16-,19-17-,23-22-,29-27-,35-33-
HMDB56037	DG(18:0/0:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3
HMDB56222	DG(20:1n9/0:0/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C42H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16-19,40,43H,3-9,11,13-15,20-39H2,1-2H3/b12-10-,18-16-,19-17-
HMDB58035	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58036	CL(18:1(11Z)/18:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-36,39-40,75-77,82H,5-24,27-28,31-34,37-38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-35-,40-36-/t76-,77-/m1/s1
HMDB13847	Losartan N2-glucuronide	CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN(N=N1)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C28H31ClN6O7/c1-2-3-8-20-30-25(29)19(14-36)34(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)26-31-33-35(32-26)27-23(39)21(37)22(38)24(42-27)28(40)41/h4-7,9-12,21-24,27,36-39H,2-3,8,13-14H2,1H3,(H,40,41)/t21-,22-,23+,24-,27+/m0/s1
HMDB58030	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB10540	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-6,13-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m1/s1
HMDB10541	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,13-15,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m1/s1
HMDB10542	TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-41,60H,4-6,9,12-15,18,21-24,29-30,35-37,42-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-
HMDB10543	TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-41,46,49,60H,4-6,9,12-15,18,21-24,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-/t60-/m0/s1
HMDB10544	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,39-40,42-43,62H,4-6,9,12-15,18,21-24,30-31,37-38,41,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-
HMDB10545	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,39-40,42-43,48,51,62H,4-6,9,12-15,18,21-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-/t62-/m0/s1
HMDB10546	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-43,62H,4-6,9,12-15,22-24,30-31,37-38,41,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-
HMDB10547	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-43,48,51,62H,4-6,9,12-15,22-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-/t62-/m0/s1
HMDB10548	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	[H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,39-40,42-43,62H,4-6,13-15,22-24,30-31,37-38,41,44-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-
HMDB10549	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,39-40,42-43,48,51,62H,4-6,13-15,22-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-/t62-/m0/s1
HMDB58033	CL(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB54452	TG(22:2(13Z,16Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,41,44,64H,4-15,18,21-24,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-
HMDB54453	TG(22:2(13Z,16Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,41,44,50,53,64H,4-15,18,21-24,31-32,34-35,37-40,42-43,45-49,51-52,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-
HMDB04231	Pantothenol	CC(C)(CO)C(O)C(=O)NCCCO	InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
HMDB04230	Pyrrole-2-carboxylic acid	OC(=O)C1=CC=CN1	InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
HMDB54456	TG(22:2(13Z,16Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,39,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-
HMDB04236	Prostaglandin B2	CCCCC[C@@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1	InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m1/s1
HMDB54454	TG(22:2(13Z,16Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-
HMDB04234	12-Keto-leukotriene B4	CCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
HMDB04239	13,14-Dihydro PGF2a	CCCCCC(O)CCC1C(O)CC(O)C1C\C=C\CCCC(O)=O	InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,15-19,21-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4+
HMDB04238	Delta-12-Prostaglandin J2	CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O	InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1
HMDB56220	DG(20:1n9/0:0/18:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C42H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,22,40,43H,3-13,15,18,21,23-39H2,1-2H3/b16-14-,19-17-,22-20-
HMDB48772	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h17,19-22,24,26-29,35,38,53H,4-16,18,23,25,30-34,36-37,39-52H2,1-3H3/b20-17-,22-19-,24-21-,28-26-,29-27-,38-35-
HMDB48773	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33-34,36-37,52H,4-15,18,22-23,29-32,35,38-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-
HMDB48770	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,31,38,41,56H,4-16,18-19,22-23,28-30,32-37,39-40,42-55H2,1-3H3/b20-17-,24-21-,27-25-,31-26-,41-38-
HMDB48771	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,40,43,58H,4-16,18-19,22-23,28-32,34-39,41-42,44-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-,43-40-
HMDB48776	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,32,36,38-39,41,54H,4-15,18,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB48777	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,31,38,41,56H,4-15,18,22-23,28-30,32-37,39-40,42-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,31-26-,41-38-
HMDB48774	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h13,16-17,20-22,24-26,28,35,38,53H,4-12,14-15,18-19,23,27,29-34,36-37,39-52H2,1-3H3/b16-13-,20-17-,24-21-,25-22-,28-26-,38-35-
HMDB48775	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,32,36,39,54H,4-15,18,22-23,28,31,33-35,37-38,40-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-
HMDB56960	CL(18:0/18:0/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/t76-,77-/m1/s1
HMDB56961	CL(18:0/18:0/18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h28,32,73-75,80H,5-27,29-31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b32-28-/t73?,74-,75-/m1/s1
HMDB48778	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,34,37-38,41,56H,4-15,18,22-23,28,32-33,35-36,39-40,42-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-
HMDB48779	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,34,37-38,41,43,46,56H,4-15,18,22-23,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-
HMDB56964	CL(18:0/18:0/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C82H156O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,37,41,76-78,83H,5-24,26-28,30-36,38-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,41-37-/t76?,77-,78-/m1/s1
HMDB50906	TG(20:3(5Z,8Z,11Z)/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,33,36,41,44,58H,4-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b27-25-,28-26-,36-33-,44-41-
HMDB56966	CL(18:0/18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H156O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,37,39-40,48,52,60,64,79-81,86H,5-20,22-24,26-32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56967	CL(18:0/18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H156O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,37,39-40,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-36,38,41-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,52-48-/t79?,80-,81-/m1/s1
HMDB50907	TG(20:3(5Z,8Z,11Z)/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,35,38,43,46,60H,4-24,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b27-25-,28-26-,38-35-,46-43-
HMDB50900	TG(20:3(5Z,8Z,11Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-34,39,42,55H,4-6,8-9,11-15,17-18,20-24,29-30,35-38,40-41,43-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,34-32-,42-39-
HMDB50901	TG(20:3(5Z,8Z,11Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-34,38-39,41-42,55H,4-6,8-9,11-15,17-18,20-24,29-30,35-37,40,43-54H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB54188	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-36,40-45,58H,4-15,22-24,30-31,37-39,46-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-,44-41-,45-42-
HMDB54189	TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34-35,37,42-43,45-46,60H,4-15,22-24,30-33,36,38-41,44,47-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB50902	TG(20:3(5Z,8Z,11Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39-40,43,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,41-42,44-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-
HMDB54180	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-36,38-39,42,44,47-48,51,61H,4-15,18,22-23,27,31,33,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,47-44-,51-48-
HMDB54182	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,35,37,40-41,44,57H,4-8,10-11,13-15,17,22,24,26,30,34,36,38-39,42-43,45-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-,44-41-
HMDB50903	TG(20:3(5Z,8Z,11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-
HMDB54187	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,35,41,44,58H,4-15,17-18,21-22,24,26-27,30-31,34,36-40,42-43,45-57H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,35-33-,44-41-
HMDB44068	TG(16:0/16:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h13,16,21-22,24-25,51H,4-12,14-15,17-20,23,26-50H2,1-3H3/b16-13-,24-21-,25-22-
HMDB44069	TG(16:0/16:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,31,52H,4-15,17-18,20,22-23,27,29-30,32-51H2,1-3H3/b19-16-,24-21-,26-25-,31-28-
HMDB50603	TG(20:1(11Z)/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,32,58H,4-19,21-22,24,26-27,30-31,33-57H2,1-3H3/b23-20-,28-25-,32-29-
HMDB50602	TG(20:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-35,39,42,48,51,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,42-39-,51-48-
HMDB50601	TG(20:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-35,39,42,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,36-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,42-39-
HMDB50600	TG(20:1(11Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,33-34,36,42,45,59H,4-6,8-9,11-15,17-18,20,22-23,27,31-32,35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-30-,36-34-,45-42-
HMDB50607	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,36,44,47,62H,4-17,19-20,22-24,30-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,29-26-,36-27-,47-44-
HMDB50606	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,42,45,60H,4-17,19-20,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,45-42-
HMDB50605	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32-33,35,40-41,43-44,58H,4-17,19-20,22-24,30-31,34,36-39,42,45-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,35-33-,43-40-,44-41-
HMDB44067	TG(16:0/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,21,24-26,31,34,50H,4-15,17-18,20,22-23,27-30,32-33,35-49H2,1-3H3/b19-16-,24-21-,26-25-,34-31-
HMDB50609	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,36,38-39,41,56H,4-16,19,22-24,29,32-35,37,40,42-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,39-36-,41-38-
HMDB50608	TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,31-32,39,42,57H,4-17,19,22,24,26,30,33-38,40-41,43-56H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,32-29-,42-39-
HMDB44064	TG(16:0/16:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h21,24-26,54H,4-20,22-23,27-53H2,1-3H3/b24-21-,26-25-
HMDB09875	PI(20:2(11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40-45,48-52H,3-10,12,14-16,19-36H2,1-2H3,(H,53,54)/b13-11-,18-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB53123	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,36,38-41,43,45,47-48,50,60H,4-6,8-9,11-15,22-24,30,32,35,37,42,44,46,49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB44063	TG(16:0/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h21,24-26,28,31,36,39,52H,4-20,22-23,27,29-30,32-35,37-38,40-51H2,1-3H3/b24-21-,26-25-,31-28-,39-36-
HMDB44060	TG(16:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19,21-22,24,50H,4-18,20,23,25-49H2,1-3H3/b22-19-,24-21-
HMDB56224	DG(20:1n9/0:0/20:4n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,41,44H,3-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-
HMDB53122	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,36,38-41,43,45,48,60H,4-6,8-9,11-15,22-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-
HMDB54296	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,45,48-49,52,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,52-49-
HMDB06895	3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA	CC(CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C1CCC2C3[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C48H78N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b27-9+/t26?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1
HMDB06894	3a,7a-Dihydroxy-5b-cholestan-26-al	CC(CCCC(C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C=O	InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17?,18?,19?,20-,21?,22?,23?,24-,25?,26+,27-/m1/s1
HMDB06897	Chenodeoxyglycocholoyl-CoA	[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24?,25-,26+,27?,28?,29?,30+,31+,34?,36+,37+,38?,42+,44-,45+/m0/s1
HMDB06896	3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA	[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C48H78N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-31,33-34,36,38-40,44,56,58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25?,26?,27-,28+,29?,30?,31?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1
HMDB06891	3a,7a,12a-Trihydroxy-5b-24-oxocholestanoyl-CoA	[H][C@@]12CCC(C(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C3N=CN=C4N)C1(C)[C@@H](O)C[C@@]1([H])C2[C@H](O)C[C@]2([H])C[C@H](O)CCC12C	InChI=1S/C48H78N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-30,32-34,36,38-40,44,56,58-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24?,25?,26-,27+,28?,29-,30-,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1
HMDB06890	3a,7a,12a,24-Tetrahydroxy-5b-cholestanoyl-CoA	[H][C@@]12C[C@H](O)CCC1(C)C1C[C@H](O)C3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24?,25?,26-,27+,28?,29?,30?,31?,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1
HMDB06893	3a,7a-Dihydroxy-5b-cholestane	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
HMDB06892	7a-Hydroxy-5b-cholestan-3-one	CC(C)CCCC(C)C1CCC2C3[C@@H](O)CC4CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18?,19?,21?,22?,23?,24-,25?,26-,27+/m0/s1
HMDB06899	Alanylglycine	CC(N)C(=O)NCC(O)=O	InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
HMDB06898	Chenodeoxyglycocholic acid	CC(CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15?,16?,17-,18?,19?,20?,21-,24?,25+,26-/m1/s1
HMDB58140	CL(18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB54293	TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,44,47,60H,4-6,8,11,13-15,22-24,31-33,40-43,45-46,48-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-
HMDB47111	TG(24:0/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,42,45,62H,4-17,19-20,22-26,28-35,37-41,43-44,46-61H2,1-3H3/b21-18-,36-27-,45-42-
HMDB00077	Dehydroepiandrosterone	C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14?,15?,16?,18-,19-/m0/s1
HMDB00076	Dihydrouracil	O=C1CCNC(=O)N1	InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
HMDB00071	Deoxyinosine	OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CN=C2O	InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
HMDB00070	Pipecolic acid	OC(=O)C1CCCCN1	InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
HMDB00073	Dopamine	NCCC1=CC=C(O)C(O)=C1	InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
HMDB00072	cis-Aconitic acid	OC(=O)C\C(=C\C(O)=O)C(O)=O	InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
HMDB11392	PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,32,34,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB11393	PE(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB11390	PE(P-18:0/22:2(13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40,44H,3-10,12,14-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,40-37-/t44-/m1/s1
HMDB11391	PE(P-18:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
HMDB11396	PE(P-18:0/24:1(15Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17,19,39,42,46H,3-16,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,42-39-/t46-/m1/s1
HMDB00078	Cysteinylglycine	N[C@@H](CS)C(=O)NCC(O)=O	InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1
HMDB11394	PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB11395	PE(P-18:0/24:0)	[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H94NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h39,42,46H,3-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b42-39-/t46-/m1/s1
HMDB53120	TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-34,36-38,41,43,46,58H,4-6,8-9,11-15,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-
HMDB58141	CL(18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-38,40-41,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,29,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB52939	TG(18:3(6Z,9Z,12Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,40,42,45-46,49,62H,4-7,9-10,12-16,19,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB52938	TG(18:3(6Z,9Z,12Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36-37,40,42,45,62H,4-7,9-10,12-16,19,22-25,28,30-35,38-39,41,43-44,46-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,40-37-,45-42-
HMDB52937	TG(18:3(6Z,9Z,12Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,34-35,40-41,43-44,60H,4-7,9-10,12-16,19,22-25,28-33,36-39,42,45-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,43-40-,44-41-
HMDB52936	TG(18:3(6Z,9Z,12Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,34-35,41,44,60H,4-7,9-10,12-16,19,22-25,28-33,36-40,42-43,45-59H2,1-3H3/b11-8-,20-17-,21-18-,34-26-,35-27-,44-41-
HMDB52935	TG(18:3(6Z,9Z,12Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,42,44-45,47,51,54,64H,4-16,19,22-25,28,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-
HMDB52934	TG(18:3(6Z,9Z,12Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,36,38,42,44-45,47,64H,4-16,19,22-25,28,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-
HMDB52933	TG(18:3(6Z,9Z,12Z)/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,38,44,47,64H,4-16,19,22-25,28,30-37,39-43,45-46,48-63H2,1-3H3/b20-17-,21-18-,29-26-,38-27-,47-44-
HMDB52932	TG(18:3(6Z,9Z,12Z)/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,40,42,45-46,49,62H,4-16,19,22-25,28,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB52931	TG(18:3(6Z,9Z,12Z)/24:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36-37,40,42,45,62H,4-16,19,22-25,28,30-35,38-39,41,43-44,46-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,40-37-,45-42-
HMDB52930	TG(18:3(6Z,9Z,12Z)/24:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h14,17-18,21,23,26-27,35,41,44,61H,4-13,15-16,19-20,22,24-25,28-34,36-40,42-43,45-60H2,1-3H3/b17-14-,21-18-,26-23-,35-27-,44-41-
HMDB57372	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB57373	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-8,11-12,15-20,23-24,27-32,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t84-,85-/m1/s1
HMDB57370	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB57371	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,54-56,58-60,66,70,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-53,57,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB57376	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81?,82-,83-/m1/s1
HMDB57377	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57374	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57375	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,27-28,31-33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57378	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,37,39-40,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,27,29,31,34-36,38,41-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,32-28-,37-33-,40-39-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57379	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB53126	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,33,39,42,59H,4-13,15,20,22,24,29-32,34-38,40-41,43-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,33-27-,42-39-
HMDB58143	CL(18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB53125	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-21,25-28,32-33,38-39,41-42,58H,4-15,22-24,29-31,34-37,40,43-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-
HMDB58144	CL(18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB31408	()-3-Decanol	CCCCCCCC(O)CC	InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
HMDB31409	2-Decanone	CCCCCCCCC(C)=O	InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
HMDB31400	Annopentocin B	[H][C@]1(CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@H](O)[C@@H](O)CCCCCCCCCCCC	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31-,32-,33-,34-/m0/s1
HMDB31401	Dihydroxycitracridone I	COC1=C2N(C)C3=C(C(O)=CC4=C3C(O)C(O)C(C)(C)O4)C(=O)C2=CC=C1O	InChI=1S/C20H21NO7/c1-20(2)19(26)17(25)13-11(28-20)7-10(23)12-15(13)21(3)14-8(16(12)24)5-6-9(22)18(14)27-4/h5-7,17,19,22-23,25-26H,1-4H3
HMDB31402	23-Acetoxysoladulcidine	CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11NCC(C)CC1OC(C)=O	InChI=1S/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3
HMDB31403	Cyclohexaneacetic acid	OC(=O)CC1CCCCC1	InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
HMDB31404	Cyclohexylamine	NC1CCCCC1	InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
HMDB31405	(Z)-4-Hepten-1-ol	CC\C=C/CCCO	InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-
HMDB31406	Cyclohexanepropanoic acid, 9CI; Et ester	CCOC(=O)CCC1CCCCC1	InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
HMDB31407	Cyclopentanone	OC1=CCCC1.O=C1CCCC1	InChI=1S/2C5H8O/c2*6-5-3-1-2-4-5/h1-4H2;3,6H,1-2,4H2
HMDB35578	10,12-Tritriacontanedione	CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C33H64O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-33(35)31-32(34)29-27-25-23-10-8-6-4-2/h3-31H2,1-2H3
HMDB35579	1-Phenyl-1,3-dodecanedione	CCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1	InChI=1S/C18H26O2/c1-2-3-4-5-6-7-11-14-17(19)15-18(20)16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
HMDB07858	PA(16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
HMDB07859	PA(16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17-/t35-/m1/s1
HMDB07852	LPA(0:0/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(CO)COP(O)(=O)O	InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1
HMDB07853	LPA(16:0/0:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP(O)(O)=O	InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
HMDB07850	LPA(0:0/18:0)	[H][C@@](CO)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1
HMDB07851	LPA(0:0/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(CO)COP(O)(=O)O	InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
HMDB07856	LPA(18:2(9Z,12Z)/0:0)	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP(O)(=O)O	InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1
HMDB35575	4,6-Nonadecanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h3-17H2,1-2H3
HMDB35576	11,13-Dotriacontanedione	CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC	InChI=1S/C32H62O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-32(34)30-31(33)28-26-24-22-12-10-8-6-4-2/h3-30H2,1-2H3
HMDB07855	LPA(18:1(9Z)/0:0)	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP(O)(=O)O	InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
HMDB02327	1,11-Undecanedicarboxylic acid	OC(=O)CCCCCCCCCCCC(O)=O	InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
HMDB02326	Coumesterol	OC1=CC2=C(C=C1)C1=C(C3=CC=C(O)C=C3O1)C(=O)O2	InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
HMDB56139	DG(14:1n5/0:0/20:3n9)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,19-20,23-26,35,38H,3-15,18,21-22,27-34H2,1-2H3/b17-16-,20-19-,25-23+,26-24-
HMDB56138	DG(14:1n5/0:0/20:1n9)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,23,25,35,38H,3-15,18-22,24,26-34H2,1-2H3/b17-16-,25-23+
HMDB02322	Cadaverine	NCCCCCN	InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
HMDB02320	Imidazolelactic acid	OC(CN1C=CN=C1)C(O)=O	InChI=1S/C6H8N2O3/c9-5(6(10)11)3-8-2-1-7-4-8/h1-2,4-5,9H,3H2,(H,10,11)
HMDB56133	DG(24:0/0:0/22:6n3)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-,39-37-
HMDB56132	DG(24:0/0:0/22:5n3)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-
HMDB56131	DG(24:0/0:0/20:5n3)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,33,35,45,48H,3-5,7,9-11,13,15-17,19,21-26,28,30-32,34,36-44H2,1-2H3/b8-6-,14-12-,20-18-,29-27-,35-33-
HMDB56130	DG(24:0/0:0/20:4n3)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,45,48H,3-5,7,9-11,13,15-17,19,21-26,28,30-44H2,1-2H3/b8-6-,14-12-,20-18-,29-27-
HMDB56137	DG(14:1n5/0:0/18:1n9)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,21,23,33,36H,3-15,18-20,22,24-32H2,1-2H3/b17-16-,23-21+
HMDB56136	DG(14:1n5/0:0/18:1n7)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h13,15,21,23,33,36H,3-12,14,16-20,22,24-32H2,1-2H3/b15-13-,23-21+
HMDB02329	Oxalic acid	OC(=O)C(O)=O	InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
HMDB56134	DG(14:1n5/0:0/14:1n5)	CCCCCCCCC=CCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C31H56O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,29,32H,3-16,21-28H2,1-2H3/b19-17+,20-18+
HMDB56546	CL(16:0/16:1(9Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27-28,31-32,69-71,76H,5-26,29-30,33-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,32-28-/t69?,70-,71-/m1/s1
HMDB56547	CL(16:0/16:1(9Z)/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C73H136O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,67-69,74H,5-24,26,30,33-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,31-27-,32-28-/t67?,68-,69-/m1/s1
HMDB33808	26-Desglucoavenacoside B	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)(CO)O1	InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,19-55)74-51)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)66-47-43(39(63)41(30(18-54)69-47)70-44-37(61)35(59)32(56)21(2)65-44)72-46-40(64)42(34(58)29(17-53)68-46)71-45-38(62)36(60)33(57)28(16-52)67-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3
HMDB33809	Methyl hydrogen fumarate	COC(=O)\C=C/C(O)=O	InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
HMDB33806	2'-O-Methylcajanone	COC1=CC(O)=C(CC=C(C)C)C=C1C1COC2=CC3=C(C=CC(C)(C)O3)C(O)=C2C1=O	InChI=1S/C26H28O6/c1-14(2)6-7-15-10-17(20(30-5)11-19(15)27)18-13-31-22-12-21-16(8-9-26(3,4)32-21)24(28)23(22)25(18)29/h6,8-12,18,27-28H,7,13H2,1-5H3
HMDB33807	Agavasaponin E	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C62H100O31/c1-21-9-12-62(81-19-21)22(2)36-31(93-62)14-29-27-8-7-25-13-26(10-11-60(25,5)28(27)15-35(67)61(29,36)6)84-57-47(78)42(73)50(33(17-64)86-57)89-58-48(79)43(74)51(34(18-65)87-58)90-59-53(92-54-44(75)38(69)30(66)20-80-54)52(39(70)32(16-63)85-59)91-56-46(77)41(72)49(24(4)83-56)88-55-45(76)40(71)37(68)23(3)82-55/h21-34,36-59,63-66,68-79H,7-20H2,1-6H3
HMDB33804	Cajanone	CC(C)=CCC1=C(O)C=C(O)C(=C1)C1COC2=CC3=C(C=CC(C)(C)O3)C(O)=C2C1=O	InChI=1S/C25H26O6/c1-13(2)5-6-14-9-16(19(27)10-18(14)26)17-12-30-21-11-20-15(7-8-25(3,4)31-20)23(28)22(21)24(17)29/h5,7-11,17,26-28H,6,12H2,1-4H3
HMDB33805	Azaspiracid	CC1CNC2(CC3OC4(CC(=C)C5OC(O)(C(O)C6CC7OC8(CCC9(CC=CC(O9)\C=C\CCC(O)=O)O8)C(C)CC7O6)C(C)CC5C)CC(C)CC(O4)C3O2)C(C)C1	InChI=1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-12,26-28,30-38,40-42,48,51-52H,4,9,13-25H2,1-3,5-7H3,(H,49,50)/b11-8+
HMDB33802	Avenacoside B	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)(COC2OC(CO)C(O)C(O)C2O)O1	InChI=1S/C57H92O28/c1-21-33-28(84-57(21)13-12-54(3,85-57)20-74-49-42(70)39(67)35(63)29(16-58)77-49)15-27-25-7-6-23-14-24(8-10-55(23,4)26(25)9-11-56(27,33)5)76-53-48(41(69)37(65)31(18-60)79-53)83-52-45(73)47(82-51-44(72)40(68)36(64)30(17-59)78-51)46(32(19-61)80-52)81-50-43(71)38(66)34(62)22(2)75-50/h6,21-22,24-53,58-73H,7-20H2,1-5H3
HMDB33803	Nuatigenin; 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-b-D-glucopyranoside]	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)(CO)O1	InChI=1S/C39H62O13/c1-18-27-25(51-39(18)13-12-36(3,17-41)52-39)15-24-22-7-6-20-14-21(8-10-37(20,4)23(22)9-11-38(24,27)5)48-35-33(31(45)29(43)26(16-40)49-35)50-34-32(46)30(44)28(42)19(2)47-34/h6,18-19,21-35,40-46H,7-17H2,1-5H3
HMDB33800	2,4,6-Trimethoxybenzophenone	COC1=CC(OC)=C(C(=O)C2=CC=CC=C2)C(OC)=C1	InChI=1S/C16H16O4/c1-18-12-9-13(19-2)15(14(10-12)20-3)16(17)11-7-5-4-6-8-11/h4-10H,1-3H3
HMDB33801	Demethoxycurcumin	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)=CC=C1O.COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C=C2)=CC=C1O	InChI=1S/2C20H18O5/c2*1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3;2-13,21,23-24H,1H3/b9-4+,10-5+;9-4+,10-5+,18-13-
HMDB08008	PC(16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,40H,6-7,9,11-13,15,18,22-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-/t40-/m1/s1
HMDB08009	PC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,25,27,40H,6-7,9,11-13,15,18,22-24,26,28-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,27-25-/t40-/m1/s1
HMDB51358	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-30,32,34-36,39-40,43,45,48,61H,4-6,8-9,11-15,17-18,20,22-23,27,31,33,37-38,41-42,44,46-47,49-60H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,39-36-,43-40-,48-45-
HMDB51359	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-35,38-40,42-44,47,60H,4-6,8-9,11-15,17,20,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-
HMDB40878	Schaftoside 4'-glucoside	OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OCC(O)C(O)C4O)=C3O2)C(O)C(O)C1O	InChI=1S/C32H38O19/c33-6-14-20(38)24(42)27(45)31(50-14)17-22(40)16-11(35)5-13(49-29(16)18(23(17)41)30-26(44)19(37)12(36)8-47-30)9-1-3-10(4-2-9)48-32-28(46)25(43)21(39)15(7-34)51-32/h1-5,12,14-15,19-21,24-28,30-34,36-46H,6-8H2
HMDB08000	PC(16:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C39H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18,37H,6-15,17,19-36H2,1-5H3/b18-16-/t37-/m1/s1
HMDB08001	PC(16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,38H,6-15,17,19-37H2,1-5H3/b18-16-/t38-/m1/s1
HMDB08002	PC(16:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,38H,6-15,20-37H2,1-5H3/b18-16-,19-17-/t38-/m1/s1
HMDB08003	PC(16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h17,19,40H,6-16,18,20-39H2,1-5H3/b19-17-/t40-/m1/s1
HMDB08004	PC(16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16-19,40H,6-15,20-39H2,1-5H3/b18-16-,19-17-/t40-/m1/s1
HMDB08005	PC(16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h17,19-21,40H,6-16,18,22-39H2,1-5H3/b19-17-,21-20-/t40-/m1/s1
HMDB08006	PC(16:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1
HMDB08007	PC(16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,25,27,40H,6-13,15,18,22-24,26,28-39H2,1-5H3/b16-14-,19-17-,21-20-,27-25-/t40-/m1/s1
HMDB55448	TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,35,37,40,57H,4-6,8,11,13-15,17,22,24,26,30,34,36,38-39,41-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-
HMDB55449	TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,35,37,40-41,44,57H,4-6,8,11,13-15,17,22,24,26,30,34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-,44-41-
HMDB55442	TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,40,42,45,62H,4-7,10,13-16,19,22-24,30-35,38-39,41,43-44,46-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-
HMDB55443	TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,40,42,45-46,49,62H,4-7,10,13-16,19,22-24,30-35,38-39,41,43-44,47-48,50-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-,45-42-,49-46-
HMDB55440	TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,33,39,42,59H,4-8,10-11,13-17,19-20,22-24,26,29-32,34-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,28-25-,33-27-,42-39-
HMDB55441	TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,34-35,40-41,43-44,60H,4-7,10,13-16,19,22-24,29-33,36-39,42,45-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,44-41-
HMDB55446	TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,41,44,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-40,42-43,45-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-,44-41-
HMDB55447	TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-22,26-31,35-36,38-39,55H,4-7,10,13-16,23-25,32-34,37,40-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-,39-36-
HMDB55444	TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-
HMDB55445	TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,34,36,38,42,44-45,47,51,54,64H,4-7,10,13-16,19,22-24,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-
HMDB56542	CL(16:0/16:1(9Z)/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27,31,69-71,76H,5-26,28-30,32-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-/t69?,70-,71-/m1/s1
HMDB53648	TG(20:2n6/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h9,12-13,16,18,21-22,25,27,30,36,39,56H,4-8,10-11,14-15,17,19-20,23-24,26,28-29,31-35,37-38,40-55H2,1-3H3/b12-9-,16-13-,21-18-,25-22-,30-27-,39-36-
HMDB56543	CL(16:0/16:1(9Z)/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h28,32,71-73,78H,5-27,29-31,33-70H2,1-4H3,(H,83,84)(H,85,86)/b32-28-/t71?,72-,73-/m1/s1
HMDB40877	3,5,8-Trihydroxy-3',4',7-trimethoxyflavone	COC1=C(O)C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(OC)=C(OC)C=C1	InChI=1S/C18H16O8/c1-23-10-5-4-8(6-11(10)24-2)17-16(22)15(21)13-9(19)7-12(25-3)14(20)18(13)26-17/h4-7,19-20,22H,1-3H3
HMDB40876	(R)-Apiumetin	CC(=C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1	InChI=1S/C14H12O4/c1-7(2)10-6-9-5-8-3-4-11(15)18-13(8)12(16)14(9)17-10/h3-5,10,16H,1,6H2,2H3
HMDB56540	CL(16:0/16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,36-37,42,46,73-75,80H,5-8,10-12,14-20,22-24,26-27,29-31,35,38-41,43-45,47-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,32-28-,34-33-,37-36-,46-42-/t73?,74-,75-/m1/s1
HMDB53646	TG(20:2n6/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,32-33,38,41,47,50,60H,4-13,15,18,20-22,24,27,29-31,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-32-,41-38-,50-47-
HMDB51589	TG(22:1(13Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32-33,38,41,58H,4-7,9-10,12-16,18-19,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b11-8-,20-17-,28-25-,32-26-,33-27-,41-38-
HMDB06288	All trans decaprenyl diphosphate	[P](OCC=C(C)C)(OCC=C(C)C)(=O)(OP(OCC=C(C)C)(OCC=C(C)C)=O)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)CC=C(C)C	InChI=1S/C50H90O7P2/c1-41(2)21-31-53-58(51,54-32-22-42(3)4)57-59(52,35-25-45(9)10,36-26-46(11)12,37-27-47(13)14,38-28-48(15)16,39-29-49(17)18,40-30-50(19)20,55-33-23-43(5)6)56-34-24-44(7)8/h21-30H,31-40H2,1-20H3
HMDB56541	CL(16:0/16:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,36-37,42,46,54,58,73-75,80H,5-8,10-12,14-20,22-24,26-27,29-31,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,32-28-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB33110	1,8-Epoxy-p-menthan-2-ol; (1R,2R,4S)-form, O-b-D-Glucopyranoside	CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O7/c1-15(2)8-4-5-16(3,23-15)10(6-8)22-14-13(20)12(19)11(18)9(7-17)21-14/h8-14,17-20H,4-7H2,1-3H3
HMDB33111	Epijasminoside A	CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H26O7/c1-8-4-9(18)5-16(2,3)10(8)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h4,10-15,17,19-21H,5-7H2,1-3H3
HMDB33112	Methylpyrazine	CC1=CN=CC=N1	InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
HMDB33113	1-Methylpyrrole	CN1C=CC=C1	InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
HMDB33114	2-Methylpyrrole	CC1=CC=CN1	InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
HMDB33115	6-Methylquinoline	CC1=CC2=C(C=C1)N=CC=C2	InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
HMDB33116	4-Methylthiazole	CC1=CSC=N1	InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
HMDB33117	5-Methylthiazole	CC1=CN=CS1	InChI=1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3
HMDB33118	2-Methylthiophene	CC1=CC=CS1	InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
HMDB33119	3-Methylthiophene	CC1=CSC=C1	InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3
HMDB31985	gamma-Glutamyl-S-methylcysteine	CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
HMDB31984	2,5-Dimethoxy-4-(2-propenyl)phenol	COC1=CC(O)=C(OC)C=C1CC=C	InChI=1S/C11H14O3/c1-4-5-8-6-11(14-3)9(12)7-10(8)13-2/h4,6-7,12H,1,5H2,2-3H3
HMDB31987	Sulforhodamine B	CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=C(C=C(C=C2)S(O)(=O)=O)S([O-])(=O)=O)=[N+](CC)CC)=C1	InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)
HMDB31986	C.I. Pigment Red 149	CC1=CC(=CC(C)=C1)N1C(=O)C2=CC=C3C4=CC=C5C(=O)N(C6=CC(C)=CC(C)=C6)C(=O)C6=C5C4=C(C=C6)C4=C3C2=C(C=C4)C1=O	InChI=1S/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3
HMDB31981	Niazidin	CC1OC(OC2=CC=C(C\N=C(\S)OC#N)C=C2)C(O)C(O)C1O.CC1OC(OC2=CC=C(C\[NH+]=C(\[S-])OC#N)C=C2)C(O)C(O)C1O	InChI=1S/2C15H18N2O6S/c2*1-8-11(18)12(19)13(20)14(22-8)23-10-4-2-9(3-5-10)6-17-15(24)21-7-16/h2*2-5,8,11-14,18-20H,6H2,1H3,(H,17,24)
HMDB31980	Amino (methoxysulfinyl) pentasulfide	COS(=O)SSSSSN	InChI=1S/CH5NO2S6/c1-4-10(3)9-8-7-6-5-2/h2H2,1H3
HMDB31983	Lucyobroside	CCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CCCCCCCCCC	InChI=1S/C39H73NO9/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-19-14-12-10-8-6-4-2/h18,20,25,27,31-37,39,41-46H,3-17,19,21-24,26,28-30H2,1-2H3,(H,40,47)/b20-18+,27-25+
HMDB31982	3-Mercapto-2-butanone	CC(S)C(C)=O	InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3
HMDB49818	TG(18:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32,34,36,40,43,62H,4-6,8-9,11-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,36-27-,43-40-
HMDB31989	Licorice glycoside A	COC1=CC(\C=C\C(=O)OCC2(O)COC(OC3C(OC4=CC=C(\C=C\C(=O)C5=C(O)C=C(O)C=C5)C=C4)OC(CO)C(O)C3O)C2O)=CC=C1O	InChI=1S/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+
HMDB31988	Licorice glycoside B	OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(COC(=O)\C=C\C3=CC=C(O)C=C3)C2O)C(O)C1O	InChI=1S/C35H36O15/c36-16-27-29(42)30(43)31(50-34-32(44)35(45,18-47-34)17-46-28(41)14-6-19-1-7-21(37)8-2-19)33(49-27)48-23-10-3-20(4-11-23)5-13-25(39)24-12-9-22(38)15-26(24)40/h1-15,27,29-34,36-38,40,42-45H,16-18H2/b13-5+,14-6+
HMDB49819	TG(18:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,36-27-,43-40-,52-49-
HMDB49814	TG(18:1(9Z)/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,32-33,58H,4-7,9-10,12-16,18-19,21-25,28-31,34-57H2,1-3H3/b11-8-,20-17-,32-26-,33-27-
HMDB08918	PE(15:0/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39)35-44-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,30,33,37H,3-12,14,16-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b15-13-,33-30-/t37-/m1/s1
HMDB08919	PE(15:0/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39)35-44-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,30,33,37H,3-16,19-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b18-17-,33-30-/t37-/m1/s1
HMDB42055	trospium chloride	[Cl-].[H][C@]12CC[C@]([H])(CC([H])(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1	InChI=1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23?;
HMDB42054	tripamide	[H]C12CC[C@]([H])(C1)[C@]1([H])CN(C[C@]21[H])N=C(O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O	InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10?,12+,13-/m1/s1
HMDB42057	urodilatin	[H]C(C)(O)C([H])(N)C(O)=NC([H])(C)C(=O)N1CCCC1([H])C(O)=NC([H])(CCCNC(N)=N)C(O)=NC([H])(CO)C(O)=NC([H])(CC(C)C)C(O)=NC([H])(CCCNC(N)=N)C(O)=NC([H])(CCCNC(N)=N)C(O)=NC([H])(CO)C(O)=NC([H])(CO)C(O)=NC1([H])CSSCC([H])(N=C(O)CN=C(O)C([H])(CC(C)C)N=C(O)CN=C(O)C([H])(CO)N=C(O)C([H])(CCC(O)=N)N=C(O)C([H])(C)N=C(O)CN=C(O)C([H])(N=C(O)C([H])(CCCNC(N)=N)N=C(O)C([H])(CC(O)=O)N=C(O)C([H])(CCSC)N=C(O)C([H])(CCCNC(N)=N)N=C(O)CN=C(O)CN=C(O)C([H])(CC2=CC=CC=C2)N=C1O)C([H])(C)CC)C(O)=NC([H])(CC(O)=N)C(O)=NC([H])(CO)C(O)=NC([H])(CC1=CC=CC=C1)C(O)=NC([H])(CCCNC(N)=N)C(O)=NC([H])(CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C145H234N52O44S3/c1-11-72(6)112-137(238)171-60-106(208)172-73(7)113(214)177-86(40-41-103(146)205)122(223)190-95(63-198)116(217)170-61-108(210)175-88(51-70(2)3)114(215)169-62-109(211)176-100(133(234)187-92(56-104(147)206)127(228)193-97(65-200)130(231)186-91(54-77-27-16-13-17-28-77)126(227)180-82(31-20-45-163-142(153)154)119(220)189-94(139(240)241)55-78-36-38-79(204)39-37-78)68-243-244-69-101(134(235)185-90(53-76-25-14-12-15-26-76)115(216)168-58-105(207)167-59-107(209)174-80(29-18-43-161-140(149)150)117(218)182-87(42-50-242-10)123(224)188-93(57-110(212)213)128(229)181-85(124(225)196-112)34-23-48-166-145(159)160)195-132(233)99(67-202)194-131(232)98(66-201)192-120(221)83(32-21-46-164-143(155)156)178-118(219)81(30-19-44-162-141(151)152)179-125(226)89(52-71(4)5)184-129(230)96(64-199)191-121(222)84(33-22-47-165-144(157)158)183-135(236)102-35-24-49-197(102)138(239)74(8)173-136(237)111(148)75(9)203/h12-17,25-28,36-39,70-75,80-102,111-112,198-204H,11,18-24,29-35,40-69,148H2,1-10H3,(H2,146,205)(H2,147,206)(H,167,207)(H,168,216)(H,169,215)(H,170,217)(H,171,238)(H,172,208)(H,173,237)(H,174,209)(H,175,210)(H,176,211)(H,177,214)(H,178,219)(H,179,226)(H,180,227)(H,181,229)(H,182,218)(H,183,236)(H,184,230)(H,185,235)(H,186,231)(H,187,234)(H,188,224)(H,189,220)(H,190,223)(H,191,222)(H,192,221)(H,193,228)(H,194,232)(H,195,233)(H,196,225)(H,212,213)(H,240,241)(H4,149,150,161)(H4,151,152,162)(H4,153,154,163)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)
HMDB42056	tulobuterol	Cl.CC(C)(C)NCC(O)C1=CC=CC=C1Cl	InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H
HMDB08912	PE(15:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,40H,3-4,6,8-10,12,14-16,19,22,24,26-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-/t40-/m1/s1
HMDB08913	PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,40H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t40-/m1/s1
HMDB08910	PE(15:0/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,40H,3-10,12,14-16,19,22,24,26-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-/t40-/m1/s1
HMDB08911	PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,29,31,40H,3-10,12,14-16,19,22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-,31-29-/t40-/m1/s1
HMDB08916	PE(15:0/P-16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C36H72NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-41-35(34-44-45(39,40)43-32-30-37)33-42-36(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h28,31,35H,3-27,29-30,32-34,37H2,1-2H3,(H,39,40)/b31-28-/t35-/m1/s1
HMDB08917	PE(15:0/P-18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C38H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39)35-44-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h30,33,37H,3-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b33-30-/t37-/m1/s1
HMDB08914	PE(15:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C44H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h42H,3-41,45H2,1-2H3,(H,48,49)/t42-/m1/s1
HMDB08915	PE(15:0/24:1(15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H86NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,42H,3-16,19-41,45H2,1-2H3,(H,48,49)/b18-17-/t42-/m1/s1
HMDB46961	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,33,35-36,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB46960	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,33,35,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-33-,44-41-,53-50-
HMDB46963	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,9-10,12-16,18-19,21-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB46962	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-25,28,31-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB46965	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,37,41,47,50,56,59,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-37-,50-47-,59-56-
HMDB46964	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,36,39,45,48,54,57,66H,4-8,10-11,13-17,19-20,22-24,26,29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,39-36-,48-45-,57-54-
HMDB46967	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,33,35-36,41-42,44-45,50,53,62H,4-7,9-10,12-16,19,22-25,28,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB39496	2-Ethoxy-1-methoxy-4-(1-propenyl)benzene	CCOC1=C(OC)C=CC(\C=C/C)=C1	InChI=1S/C12H16O2/c1-4-6-10-7-8-11(13-3)12(9-10)14-5-2/h4,6-9H,5H2,1-3H3/b6-4-
HMDB46969	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,34,37-38,41,43,46,52,55,64H,4-7,9-10,12-16,19,22-25,28,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB46968	TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,34,36,42,45,51,54,63H,4-7,9-10,12-14,16,19,21-23,25,28,30-33,35,37-41,43-44,46-50,52-53,55-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,36-34-,45-42-,54-51-
HMDB39495	2-(Malonylamino)benzoic acid	OC(=O)CC(=O)NC1=CC=CC=C1C(O)=O	InChI=1S/C10H9NO5/c12-8(5-9(13)14)11-7-4-2-1-3-6(7)10(15)16/h1-4H,5H2,(H,11,12)(H,13,14)(H,15,16)
HMDB32446	trans, trans-3,5-Octadien-2-one	CC\C=C\C=C\C(C)=O	InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
HMDB32441	Nona-2,4,6-trienal	CC\C=C/C=C\C=C/C=O	InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3/b4-3-,6-5-,8-7-
HMDB34805	Ammonium dihydrogenphosphate	[NH4+].OP(O)([O-])=O	InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)
HMDB49813	TG(18:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,40,43,49,52,62H,4-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,43-40-,52-49-
HMDB32440	Nonanal propyleneglycol acetal	CCCCCCCCC1OCC(C)O1	InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3
HMDB45700	TG(20:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,39,42,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-,42-39-
HMDB45701	TG(20:0/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,58H,4-15,17-18,20,22-23,26,28-57H2,1-3H3/b19-16-,24-21-,27-25-
HMDB45702	TG(20:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,37,39,58H,4-15,17-18,20,22-23,26,28-29,31,33-36,38,40-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-37-
HMDB45703	TG(20:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,37,39,45,48,58H,4-15,17-18,20,22-23,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-37-,48-45-
HMDB45704	TG(20:0/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-
HMDB32443	3-Nonyl acetate	CCCCCCC(O)CCOC(C)=O	InChI=1S/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3
HMDB45706	TG(20:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,34-31-
HMDB45707	TG(20:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,31,34,39,42,56H,4-6,8-9,11-15,17-18,20,22-23,26,28-30,32-33,35-38,40-41,43-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,34-31-,42-39-
HMDB45708	TG(20:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,39,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-37-
HMDB45709	TG(20:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-37-,48-45-
HMDB32442	2-Nonenoic acid gamma-lactone	CCCCCC1OC(=O)C=C1	InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3
HMDB52412	TG(18:2(9Z,12Z)/15:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,19-20,22,26-29,33,35,52H,4-16,18,21,23-25,30-32,34,36-51H2,1-3H3/b20-17-,22-19-,28-26-,29-27-,35-33-
HMDB29122	Valyl-Asparagine	CC(C)C(NC(=O)C(N)CC(N)=O)C(O)=O	InChI=1S/C9H17N3O4/c1-4(2)7(9(15)16)12-8(14)5(10)3-6(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)
HMDB29123	Valyl-Aspartate	CC(C)C(NC(=O)C(N)CC(O)=O)C(O)=O	InChI=1S/C9H16N2O5/c1-4(2)7(9(15)16)11-8(14)5(10)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
HMDB29120	Valyl-Alanine	CC(C)C(NC(=O)C(C)N)C(O)=O	InChI=1S/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)
HMDB29121	Valyl-Arginine	CC(C)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O	InChI=1S/C11H23N5O3/c1-6(2)8(10(18)19)16-9(17)7(12)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)
HMDB29126	Valyl-Glutamate	CC(C)C(NC(=O)C(N)CCC([O-])=O)C(O)=O	InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/p-1
HMDB36066	(3E,6E)-alpha-Farnesene	CC(C)=CCC\C(C)=C\C\C=C(/C)C=C	InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
HMDB29124	Valyl-Cysteine	CC(C)C(NC(=O)C(N)CS)C(O)=O	InChI=1S/C8H16N2O3S/c1-4(2)6(8(12)13)10-7(11)5(9)3-14/h4-6,14H,3,9H2,1-2H3,(H,10,11)(H,12,13)
HMDB29125	Valyl-Glutamine	CC(C)C(NC(=O)C(N)CCC(N)=O)C(O)=O	InChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-9(15)6(11)3-4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB13426	PC(o-18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1
HMDB13427	PC(o-18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,43H,6-19,21,23-42H2,1-5H3/b22-20-/t43-/m1/s1
HMDB29128	Valyl-Hydroxyproline	CC(C)C(NC(=O)C1CC(O)CN1)C(O)=O	InChI=1S/C10H18N2O4/c1-5(2)8(10(15)16)12-9(14)7-3-6(13)4-11-7/h5-8,11,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)
HMDB13425	PC(o-18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,43H,6-14,19-20,22,24-42H2,1-5H3/b17-15-,18-16-,23-21-/t43-/m1/s1
HMDB13422	PC(o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-/t47-/m1/s1
HMDB13423	PC(o-18:0/24:0)	[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C50H102NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/t49-/m1/s1
HMDB13420	PC(o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,45H,6-13,15,17-19,21,23-24,26,28-30,32,34-44H2,1-5H3/b16-14-,22-20-,27-25-,33-31-/t45-/m1/s1
HMDB13421	PC(o-18:0/22:0)	[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C48H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3/t47-/m1/s1
HMDB47060	TG(24:0/16:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,62H,4-25,27,29-61H2,1-3H3/b28-26-
HMDB52416	TG(18:2(9Z,12Z)/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,32,56H,4-15,17-18,21-22,24,26,29-31,33-55H2,1-3H3/b19-16-,23-20-,27-25-,32-28-
HMDB47067	TG(24:0/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,62H,4-16,18-19,21-25,27,29-61H2,1-3H3/b20-17-,28-26-
HMDB52417	TG(18:2(9Z,12Z)/15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,35,38,56H,4-15,17-18,21-22,24,26,29,33-34,36-37,39-55H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,38-35-
HMDB47066	TG(24:0/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,43,46,60H,4-16,18-19,21-25,27,29-34,36-37,39-42,44-45,47-59H2,1-3H3/b20-17-,28-26-,38-35-,46-43-
HMDB52418	TG(18:2(9Z,12Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-32,35,38,43,46,56H,4-15,17-18,21-22,24,26,29,33-34,36-37,39-42,44-45,47-55H2,1-3H3/b19-16-,23-20-,27-25-,31-30-,32-28-,38-35-,46-43-
HMDB01944	Chlorpheniramine	CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1	InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
HMDB52419	TG(18:2(9Z,12Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26-29,52H,4-7,9-10,12-16,18,21,23-25,30-51H2,1-3H3/b11-8-,20-17-,22-19-,28-26-,29-27-
HMDB47064	TG(24:0/16:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,59H,4-13,15-16,18-22,24-25,27-58H2,1-3H3/b17-14-,26-23-
HMDB59378	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-40,45-52,57-64,69-71,73-75,91-93,98H,5-8,10,14,17-20,29-32,41-44,53-56,65-68,72,76-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-/t91?,92-,93-/m1/s1
HMDB58063	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35,37,40,42,44,52,56,77-79,84H,5-20,22-24,27-29,31-32,34,36,38-39,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,37-33-,40-35-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB59379	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h11-12,15-16,21-28,33-40,45-52,57-64,69-76,91-93,98H,5-10,13-14,17-20,29-32,41-44,53-56,65-68,77-90H2,1-4H3,(H,103,104)(H,105,106)/b15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-,76-72-/t92-,93-/m1/s1
HMDB30179	Edulitine	COC1=CC=CC2=C1NC(=O)C=C2OC.COC1=CC(O)=NC2=C1C=CC=C2OC	InChI=1S/2C11H11NO3/c2*1-14-8-5-3-4-7-9(15-2)6-10(13)12-11(7)8/h2*3-6H,1-2H3,(H,12,13)
HMDB30178	(S)-Edulinine	COC1=C(CC(O)C(C)(C)O)C(=O)N(C)C2=C1C=CC=C2	InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3
HMDB38362	(-)-Epigallocatechin 3-p-coumaroate	OC1=CC=C(\C=C\C(=O)O[C@@H]2CC3=C(O[C@@H]2C2=CC(O)=C(O)C(O)=C2)C=C(O)C=C3O)C=C1	InChI=1S/C24H20O9/c25-14-4-1-12(2-5-14)3-6-22(30)32-21-11-16-17(27)9-15(26)10-20(16)33-24(21)13-7-18(28)23(31)19(29)8-13/h1-10,21,24-29,31H,11H2/b6-3+/t21-,24-/m1/s1
HMDB57180	CL(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,35,37,40,42,44,52,56,77-79,84H,5-20,22-24,26-27,29-31,34,36,38-39,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,40-35-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB38363	(-)-Epigallocatechin 3-(3-methyl-gallate)	COC1=CC(=CC(O)=C1O)C(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O	InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
HMDB53641	TG(20:2n6/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-57(62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-26,57H,4-12,15,18-21,24,27-56H2,1-3H3/b16-13-,17-14-,25-22-,26-23-
HMDB58062	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,39-40,43,50,54,75-77,82H,5-20,22-24,27-29,31-32,34,37-38,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,36-33-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB37126	Pisumoside A	CC12CCCC(C)(C1C(O)C(O)C13CC(COC4OC(CO)C(O)C(O)C4O)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C38H62O21/c1-35-5-3-6-36(2,34(52)59-33-28(24(47)21(44)17(11-41)57-33)58-32-26(49)23(46)20(43)16(10-40)56-32)29(35)27(50)30(51)37-8-14(38(53,13-37)7-4-18(35)37)12-54-31-25(48)22(45)19(42)15(9-39)55-31/h14-33,39-51,53H,3-13H2,1-2H3
HMDB56918	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,41-42,44-45,47,50-52,54,56,59,62-64,66,68,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,46,48-49,53,55,57-58,60-61,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB30173	Surugatoxin	CC1(O)C(=O)N2C3C(=O)NC(=O)NC3=NCC2(O)C(C(=O)OC2C(O)C(O)C(O)C(O)C2O)C11C(=O)NC2=CC(Br)=CC=C12	InChI=1S/C25H26BrN5O13/c1-23(42)21(40)31-9-17(29-22(41)30-18(9)37)27-5-24(31,43)16(25(23)7-3-2-6(26)4-8(7)28-20(25)39)19(38)44-15-13(35)11(33)10(32)12(34)14(15)36/h2-4,9-16,32-36,42-43H,5H2,1H3,(H,28,39)(H2,27,29,30,37,41)
HMDB37918	3',7-Dihydroxy-4',8-dimethoxyisoflavone	COC1=C(O)C=C(C=C1)C1=COC2=C(OC)C(O)=CC=C2C1=O	InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3
HMDB37919	Tragopogonsaponin F	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C56H80O21/c1-51(2)20-21-56(50(70)77-49-45(74-36(61)15-10-26-8-11-27(58)12-9-26)43(30(59)25-71-49)75-47-41(66)38(63)37(62)31(24-57)72-47)29(22-51)28-13-14-33-53(5)18-17-35(73-48-42(67)39(64)40(65)44(76-48)46(68)69)52(3,4)32(53)16-19-54(33,6)55(28,7)23-34(56)60/h8-13,15,29-35,37-45,47-49,57-60,62-67H,14,16-25H2,1-7H3,(H,68,69)/b15-10+
HMDB30172	Oxyacanthine	COC1=CC2=C3C=C1OC1=C(OC)C(OC)=CC4=C1C(CC1=CC=C(OC5=CC(CC3N(C)CC2)=CC=C5O)C=C1)N(C)CC4	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
HMDB37914	(2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol	CC(C)C(C)\C=C\C(C)C1CCC2C3=CCC4CC(O)C(O)CC4(C)C3(O)CCC12C	InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-23-10-9-20-15-24(29)25(30)16-27(20,6)28(23,31)14-13-26(21,22)5/h7-8,10,17-22,24-25,29-31H,9,11-16H2,1-6H3/b8-7+
HMDB37915	Tragopogonsaponin D	COC1=CC(\C=C\C(=O)OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C2(C)CC3O)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C57H82O22/c1-52(2)19-20-57(51(71)79-50-46(38(62)29(59)25-73-50)77-37(61)14-10-26-9-12-30(31(21-26)72-8)74-48-43(67)40(64)39(63)32(24-58)75-48)28(22-52)27-11-13-34-54(5)17-16-36(76-49-44(68)41(65)42(66)45(78-49)47(69)70)53(3,4)33(54)15-18-55(34,6)56(27,7)23-35(57)60/h9-12,14,21,28-29,32-36,38-46,48-50,58-60,62-68H,13,15-20,22-25H2,1-8H3,(H,69,70)/b14-10+
HMDB37916	Glyceollidin II	CC(C)=CCC1=C(O)C=C2OCC3(O)C(OC4=C3C=CC(O)=C4)C2=C1	InChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3
HMDB37917	2',5-Dihydroxy-4',7-dimethoxyisoflavone	COC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(OC)=C2)C1=O	InChI=1S/C17H14O6/c1-21-9-3-4-11(13(18)5-9)12-8-23-15-7-10(22-2)6-14(19)16(15)17(12)20/h3-8,18-19H,1-2H3
HMDB37910	Tragopogonsaponin A	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H56O10/c1-31(2)14-15-36(30(43)44)19(16-31)18-8-9-21-33(5)12-11-23(45-29-26(40)24(38)25(39)27(46-29)28(41)42)32(3,4)20(33)10-13-34(21,6)35(18,7)17-22(36)37/h8,19-27,29,37-40H,9-17H2,1-7H3,(H,41,42)(H,43,44)
HMDB30171	N-Methyl-14-O-demethylepiporphyroxine	COC1=CC2=C(C=C1O)C1OC(O)C3=C(C=CC4=C3OCO4)C1N(C)CC2	InChI=1S/C20H21NO6/c1-21-6-5-10-7-15(24-2)13(22)8-12(10)18-17(21)11-3-4-14-19(26-9-25-14)16(11)20(23)27-18/h3-4,7-8,17-18,20,22-23H,5-6,9H2,1-2H3
HMDB37912	Tragopogonsaponin C	COC1=CC(\C=C\C(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)=CC=C1O	InChI=1S/C51H72O17/c1-46(2)19-20-51(45(62)68-44-41(36(56)29(53)24-64-44)66-35(55)14-10-25-9-12-28(52)30(21-25)63-8)27(22-46)26-11-13-32-48(5)17-16-34(65-43-39(59)37(57)38(58)40(67-43)42(60)61)47(3,4)31(48)15-18-49(32,6)50(26,7)23-33(51)54/h9-12,14,21,27,29,31-34,36-41,43-44,52-54,56-59H,13,15-20,22-24H2,1-8H3,(H,60,61)/b14-10+
HMDB37913	Artomunoxanthentrione	COC1=CC(=O)C2=C(C1=O)C(=CC1=C2OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C(C)=C	InChI=1S/C26H20O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-10,28H,1H2,2-5H3
HMDB30170	Glaudine	COC1OC2C(N(C)CCC3=C2C=C(OC)C(OC)=C3)C2=C1C1=C(OCO1)C=C2	InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3
HMDB37781	Ganoderiol C	CCOC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)CCC(C(C)CCC(O)C(C)(O)CO)C1(C)CC2	InChI=1S/C32H54O5/c1-9-37-23-18-24-28(3,4)25(34)14-15-29(24,5)22-13-16-30(6)21(12-17-31(30,7)27(22)23)20(2)10-11-26(35)32(8,36)19-33/h20-21,23-24,26,33,35-36H,9-19H2,1-8H3
HMDB37780	Ganoderiol G	COC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)CCC(C(C)CCC(O)C(C)(O)CO)C1(C)CC2	InChI=1S/C31H52O5/c1-19(9-10-25(34)31(7,35)18-32)20-11-16-30(6)26-21(12-15-29(20,30)5)28(4)14-13-24(33)27(2,3)23(28)17-22(26)36-8/h19-20,22-23,25,32,34-35H,9-18H2,1-8H3
HMDB38368	Procyanidin B7	OC1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28?,29-,30-/m1/s1
HMDB30174	Isotetrandrine	COC1=CC=C2CC3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3
HMDB43016	TG(15:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,34,39,42,52H,4-6,8-9,11-15,17-18,20-24,27,30,32-33,35-38,40-41,43-51H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-31-,42-39-
HMDB43017	TG(15:0/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
HMDB43014	TG(15:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34,37,50H,4-6,8-9,11-15,17-18,20-24,27,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,37-34-
HMDB43015	TG(15:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,34,52H,4-6,8-9,11-15,17-18,20-24,27,30,32-33,35-51H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,34-31-
HMDB43012	TG(15:0/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,30,32,48H,4-6,8-9,11-15,17-18,20-24,27-29,31,33-47H2,1-3H3/b10-7-,19-16-,26-25-,32-30-
HMDB43013	TG(15:0/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,50H,4-6,8-9,11-15,17-18,20-24,27,30-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-
HMDB43010	TG(15:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,34,39,42,52H,4-15,17-18,20-24,27,30,32-33,35-38,40-41,43-51H2,1-3H3/b19-16-,26-25-,29-28-,34-31-,42-39-
HMDB43011	TG(15:0/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,48H,4-6,8-9,11-15,17-18,20-24,27-47H2,1-3H3/b10-7-,19-16-,26-25-
HMDB43018	TG(15:0/16:0/15:0)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3
HMDB43019	TG(15:0/16:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3
HMDB47706	TG(24:0/o-18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h26,29,63H,4-25,27-28,30-62H2,1-3H3/b29-26-
HMDB47707	TG(24:0/o-18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h26,29,37,40,46,49,63H,4-25,27-28,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b29-26-,40-37-,49-46-
HMDB47704	TG(24:0/o-18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h21,24,61H,4-20,22-23,25-60H2,1-3H3/b24-21-
HMDB47705	TG(24:0/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h27,35,61H,4-26,28-34,36-60H2,1-3H3/b35-27-
HMDB47702	TG(24:0/o-18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-34-27-25-23-20-17-14-11-8-5-2/h15,18,57H,4-14,16-17,19-56H2,1-3H3/b18-15-
HMDB47703	TG(24:0/o-18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-37-40-43-46-49-52-55-61(63)66-58-59(57-65-60(62)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)64-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h21,24,59H,4-20,22-23,25-58H2,1-3H3/b24-21-
HMDB47700	TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,52,55,65H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-51,53-54,56-64H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-,55-52-
HMDB47701	TG(24:0/o-18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C69H136O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-65-67(72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)66-74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h67H,4-66H2,1-3H3
HMDB47708	TG(24:0/o-18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,65H,4-25,27-28,30-64H2,1-3H3/b29-26-
HMDB47709	TG(24:0/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C69H134O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-65-67(72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)66-74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,67H,4-24,26-27,29-66H2,1-3H3/b28-25-
HMDB48574	TG(16:1(9Z)/14:1(9Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h15,18-20,22-23,25-26,49H,4-14,16-17,21,24,27-48H2,1-3H3/b18-15-,22-19-,23-20-,26-25-
HMDB48575	TG(16:1(9Z)/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,30,32,48H,4-14,17,21-22,26-29,31,33-47H2,1-3H3/b18-15-,19-16-,23-20-,25-24-,32-30-
HMDB48576	TG(16:1(9Z)/14:1(9Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-24,49H,4-12,14,17,19,21,25-48H2,1-3H3/b16-13-,18-15-,23-20-,24-22-
HMDB57183	CL(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,35,37,39-40,42,46,50,58,62,79-81,86H,5-20,22-24,26-32,34,36,38,41,43-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,42-35-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB48570	TG(16:1(9Z)/14:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,20,23-25,50H,4-14,16-17,19,21-22,26-49H2,1-3H3/b18-15-,23-20-,25-24-
HMDB48571	TG(16:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,20,23-25,27,29,34,37,50H,4-14,16-17,19,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,23-20-,25-24-,29-27-,37-34-
HMDB43522	TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31-34,39-40,42-43,55H,4-16,18-19,21-24,29-30,35-38,41,44-54H2,1-3H3/b20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB58702	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-47-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-/t79?,80-,81-/m1/s1
HMDB48572	TG(16:1(9Z)/14:1(9Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15,18,20,23-25,52H,4-14,16-17,19,21-22,26-51H2,1-3H3/b18-15-,23-20-,25-24-
HMDB43523	TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,34,36,42,45,57H,4-16,18-19,21-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b20-17-,27-25-,28-26-,36-34-,45-42-
HMDB48573	TG(16:1(9Z)/14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h15,18,20,23-25,54H,4-14,16-17,19,21-22,26-53H2,1-3H3/b18-15-,23-20-,25-24-
HMDB43520	TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-30,32,38,41,53H,4-15,17-18,20-24,28,31,33-37,39-40,42-52H2,1-3H3/b19-16-,27-25-,29-26-,32-30-,41-38-
HMDB56818	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB43521	TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,40,43,55H,4-16,18-19,21-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,43-40-
HMDB43526	TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,34,37-38,41,53H,4-15,18,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-
HMDB43527	TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,33,39,42,54H,4-13,15,18,20-22,24,28-30,32,34-38,40-41,43-53H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,33-31-,42-39-
HMDB34335	Thermophillin	COC1=CC(=O)C(OC)=CC1=O	InChI=1S/C8H8O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
HMDB34334	14alpha-Hydroxyixocarpanolide	CC1CC(OC(=O)C1C)C(C)(O)C1CCC2(O)C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H40O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)17-9-12-27(32)20-16(8-11-24(17,27)3)25(4)18(29)7-6-10-28(25,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3
HMDB34337	Polypodosaponin	CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1CCC(C)C(O)O1	InChI=1S/C39H62O13/c1-17-6-9-27(50-35(17)47)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(32(45)30(43)28(16-40)51-37)52-36-33(46)31(44)29(42)19(3)48-36/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3
HMDB34336	Dolichosterone	CC(C)C(=C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H46O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14,16-21,23-26,30-33H,3,7-13H2,1-2,4-6H3
HMDB34331	Portensterol	CC(C)C(C)\C=C/C(C)C1CCC2C3=C(C(O)CC12C)C1(C)CCC(O)CC1=CC3	InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7-
HMDB34330	Physalin E	CC12OC(=O)C3(O)CCC4C(C(O)CC5(O)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5	InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3
HMDB34333	Physalolactone	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(Cl)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H39ClO8/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-18(29)28(36)20(31)7-6-19(30)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-18,20-21,31,33-36H,8-13H2,1-5H3
HMDB34332	6-Deoxodolichosterone	CC(C)C(=C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15,17-26,29-32H,3,7-14H2,1-2,4-6H3
HMDB44541	TG(16:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,36,39,60H,4-7,9-10,12-16,18-19,21-24,29-35,37-38,40-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,39-36-
HMDB44540	TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,34,37,58H,4-7,9-10,12-16,18-19,21-24,29-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,37-34-
HMDB44543	TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33,35,38,54H,4-6,8-9,11-15,18,21-24,28,31-32,34,36-37,39-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,38-35-
HMDB43525	TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,39,42,54H,4-15,17-18,21-22,24,26,29,32,34-38,40-41,43-53H2,1-3H3/b19-16-,23-20-,27-25-,30-28-,33-31-,42-39-
HMDB34339	Ixocarpalactone B	CC1C(C)C2(OC1=O)OC1CC3C4CC5OC55C(O)C=CC(=O)C5(C)C4CCC3(C)C1C(C)(O)C2O	InChI=1S/C28H38O8/c1-12-13(2)28(36-22(12)31)23(32)26(5,33)21-17(34-28)11-16-14-10-20-27(35-20)19(30)7-6-18(29)25(27,4)15(14)8-9-24(16,21)3/h6-7,12-17,19-21,23,30,32-33H,8-11H2,1-5H3
HMDB44544	TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,34,55H,4-6,8-9,11-13,15,18,20-22,24,28-30,32-33,35-54H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,34-31-
HMDB44547	TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,37,58H,4-7,9-10,12-15,18,21-24,29-33,35-36,38-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,37-34-
HMDB44546	TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,40,43,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB56819	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27,29-31,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB43528	TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,40,43,55H,4-15,18,21-24,29-30,35-39,41-42,44-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,43-40-
HMDB43529	TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,39-40,42-43,55H,4-15,18,21-24,29-30,35-38,41,44-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,42-39-,43-40-
HMDB43784	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,38,41,47,50,59H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,41-38-,50-47-
HMDB43785	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,36,40,43,49,52,61H,4-7,9-10,12-16,18-19,21-24,29-32,34-35,37-39,41-42,44-48,50-51,53-60H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,36-33-,43-40-,52-49-
HMDB33504	AF Toxin II	CCC(C)C(O)C(=O)OC(\C=C\C=C/C=C/C(O)=O)C1(C)CO1	InChI=1S/C17H24O6/c1-4-12(2)15(20)16(21)23-13(17(3)11-22-17)9-7-5-6-8-10-14(18)19/h5-10,12-13,15,20H,4,11H2,1-3H3,(H,18,19)/b6-5-,9-7+,10-8+
HMDB44619	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25-26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,21-22,24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,29-28-,36-33-,45-42-
HMDB43788	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,30-31,35,38,44,47,56H,4-6,8-9,11-13,15,18,20-22,24,28-29,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,31-30-,38-35-,47-44-
HMDB58701	CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-47-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-43,48,52,60,64,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB15006	Benzonatate	CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC	InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
HMDB15007	Dorzolamide	CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O	InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
HMDB15004	Alprenolol	CC(C)NCC(O)COC1=CC=CC=C1CC=C	InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
HMDB15005	Ritodrine	C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1	InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
HMDB15002	Tacrolimus	CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC	InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
HMDB15003	Benzphetamine	C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1	InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
HMDB15000	Vardenafil	CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1	InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
HMDB52367	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-29,34,37-38,43-44,46-47,52,55,64H,4-7,9-10,12-16,19,22-24,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-
HMDB15008	Suprofen	CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1	InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
HMDB15009	Terbutaline	CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1	InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
HMDB42860	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,38-39,41-42,54H,4-7,9-10,12-15,18,21-23,28-29,34-37,40,43-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42861	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,33,35,41,44,56H,4-7,9-10,12-15,18,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,35-33-,44-41-
HMDB42862	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31,33-35,37,41,44,56H,4-7,9-10,12-15,18,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB42863	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-7,9-10,12-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB42864	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,37,40,52H,4-6,9,12-15,18,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,40-37-
HMDB42865	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-29,31,33,36-37,40,52H,4-6,9,12-15,18,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB42866	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,39,42,54H,4-6,9,12-15,18,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB42867	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,38-39,41-42,54H,4-6,9,12-15,18,21-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42868	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31,33-35,37,41,44,56H,4-6,9,12-15,18,21-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB42869	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,9,12-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-
HMDB52361	TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39-40,43,45,48-49,52,66H,4-7,10,13-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-
HMDB58068	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,42-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,28-30,32,35,39-41,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB29975	Trisdeacylsimonin I; 4A-Epimer, 6A-hydroxy, 3C-(a-L-rhamnopyranosyl), 4D-dodecanoyl, 2C-(2-methylbutanoyl(S))	CCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(CO)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)C(C)CC)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O	InChI=1S/C63H110O25/c1-9-12-14-15-16-17-20-23-27-31-41(65)82-51-36(6)77-60(49(73)47(51)71)86-53-38(8)79-63(57(84-58(75)34(4)11-3)56(53)88-59-48(72)45(69)43(67)35(5)76-59)85-52-37(7)78-61-55(50(52)74)83-42(66)32-28-24-21-18-19-22-26-30-39(29-25-13-10-2)80-62-54(87-61)46(70)44(68)40(33-64)81-62/h34-40,43-57,59-64,67-74H,9-33H2,1-8H3
HMDB29974	Simonin V	CCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(C)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)CCCCCCC)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O	InChI=1S/C66H116O24/c1-9-12-15-17-18-19-22-26-31-35-44(67)84-55-40(6)80-63(53(76)51(55)74)88-57-42(8)82-66(61(86-46(69)37-30-24-16-13-10-2)60(57)90-62-52(75)49(72)47(70)38(4)78-62)87-56-41(7)81-65-59(54(56)77)85-45(68)36-32-27-23-20-21-25-29-34-43(33-28-14-11-3)83-64-58(89-65)50(73)48(71)39(5)79-64/h38-43,47-66,70-77H,9-37H2,1-8H3
HMDB29977	Simonin IV	CCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(C)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)CCCCCCCCC)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O	InChI=1S/C68H120O24/c1-9-12-15-17-19-20-24-28-32-37-46(69)86-57-42(6)82-65(55(78)53(57)76)90-59-44(8)84-68(63(88-48(71)39-34-27-22-18-16-13-10-2)62(59)92-64-54(77)51(74)49(72)40(4)80-64)89-58-43(7)83-67-61(56(58)79)87-47(70)38-33-29-25-21-23-26-31-36-45(35-30-14-11-3)85-66-60(91-67)52(75)50(73)41(5)81-66/h40-45,49-68,72-79H,9-39H2,1-8H3
HMDB29976	Trisdeacylsimonin I; 3C-(a-L-Rhamnopyranosyl), 2C-(2-methylbutanoyl(S)), 4D-dodecanoyl	CCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(C)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)C(C)CC)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O	InChI=1S/C63H110O24/c1-10-13-15-16-17-18-21-24-28-32-41(64)81-51-37(7)77-60(49(72)47(51)70)85-53-39(9)79-63(57(83-58(74)34(4)12-3)56(53)87-59-48(71)45(68)43(66)35(5)75-59)84-52-38(8)78-62-55(50(52)73)82-42(65)33-29-25-22-19-20-23-27-31-40(30-26-14-11-2)80-61-54(86-62)46(69)44(67)36(6)76-61/h34-40,43-57,59-63,66-73H,10-33H2,1-9H3
HMDB29971	Coriandrone E	COC1=C2C=COC2=CC2=C1C(=O)OC(C)C2O	InChI=1S/C13H12O5/c1-6-11(14)8-5-9-7(3-4-17-9)12(16-2)10(8)13(15)18-6/h3-6,11,14H,1-2H3
HMDB29970	Squamosten A	CCCCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-13-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12-
HMDB29973	Simonin I	CCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(O)C(O)C(C)OC5OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)C(OC(=O)CCCCCCCCC)C2O)C(OC(=O)\C=C\C2=CC=CC=C2)C1O	InChI=1S/C69H112O21/c1-8-11-14-16-19-24-32-39-50(70)84-59-45(5)80-67(63(56(59)76)87-53(73)43-42-48-35-29-27-30-36-48)88-60-46(6)81-68(64(57(60)77)85-51(71)40-33-25-20-17-15-12-9-2)89-61-47(7)82-69-65(58(61)78)86-52(72)41-34-26-22-18-21-23-31-38-49(37-28-13-10-3)83-66-62(90-69)55(75)54(74)44(4)79-66/h27,29-30,35-36,42-47,49,54-69,74-78H,8-26,28,31-34,37-41H2,1-7H3/b43-42+
HMDB29972	Coriandrone D	COC1=C(CC(OC(C)=O)C(C)(C)O)C(O)=C2C(=O)OC(C)CC2=C1	InChI=1S/C18H24O7/c1-9-6-11-7-13(23-5)12(16(20)15(11)17(21)24-9)8-14(18(3,4)22)25-10(2)19/h7,9,14,20,22H,6,8H2,1-5H3
HMDB29979	2'-Hydroxy-3,4',5',7,8-pentamethoxyflavone	COC1=C(OC)C2=C(C=C1)C(=O)C(OC)=C(O2)C1=CC(OC)=C(OC)C=C1O	InChI=1S/C20H20O8/c1-23-13-7-6-10-16(22)20(27-5)18(28-17(10)19(13)26-4)11-8-14(24-2)15(25-3)9-12(11)21/h6-9,21H,1-5H3
HMDB29978	Avenoleic acid	CCCC(O)C\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-
HMDB14359	Torasemide	CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1	InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
HMDB59568	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69-71,73-75,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,72,76-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,74-70-,75-71-/t91?,92-,93-/m1/s1
HMDB14351	Reserpine	[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2	InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
HMDB14350	Pyrimethamine	CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1	InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
HMDB14353	Ticlopidine	ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2	InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
HMDB14352	Azithromycin	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
HMDB14355	Adapalene	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2	InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
HMDB14354	Trospium	OC(C(=O)OC1CC2CCC(C1)[N+]21CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1
HMDB14357	Remikiren	CC(C)(C)S(=O)(=O)C[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)C1CC1	InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28-,29+,30-/m0/s1
HMDB14356	Midodrine	COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1	InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)
HMDB45086	TG(18:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,19-20,22,26,28-29,31,35,38,55H,4-16,18,21,23-25,27,30,32-34,36-37,39-54H2,1-3H3/b20-17-,22-19-,29-26-,31-28-,38-35-
HMDB44718	TG(18:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,37,40,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,40-37-
HMDB41550	Oleoside 11-methyl ester	[H]OC(=O)C([H])([H])C1([H])C(=C([H])OC([H])(OC2([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])\C1=C(\[H])C([H])([H])[H])C(=O)OC([H])([H])[H]	InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6,8,10,12-14,16-18,21-23H,4-5H2,1-2H3,(H,19,20)/b7-3-
HMDB11802	Ganglioside GD1a (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C91H161N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(109)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-74(115)73(114)78(64(49-99)125-85)128-87-76(117)83(133-91(89(120)121)44-59(106)68(93-54(5)103)81(131-91)70(111)61(108)46-96)79(65(50-100)126-87)129-84-55(42-52(3)101)77(71(112)62(47-97)123-84)127-86-75(116)82(72(113)63(48-98)124-86)132-90(88(118)119)43-58(105)67(92-53(4)102)80(130-90)69(110)60(107)45-95/h38,40,55-65,67-87,95-100,104-108,110-117H,6-37,39,41-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,109)(H,118,119)(H,120,121)/b40-38+/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82+,83-,84+,85-,86+,87+,90+,91+/m1/s1
HMDB11803	Ganglioside GD1a (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C91H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(109)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-74(115)73(114)78(64(49-99)125-85)128-87-76(117)83(133-91(89(120)121)44-59(106)68(93-54(5)103)81(131-91)70(111)61(108)46-96)79(65(50-100)126-87)129-84-55(42-52(3)101)77(71(112)62(47-97)123-84)127-86-75(116)82(72(113)63(48-98)124-86)132-90(88(118)119)43-58(105)67(92-53(4)102)80(130-90)69(110)60(107)45-95/h20-21,38,40,55-65,67-87,95-100,104-108,110-117H,6-19,22-37,39,41-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,109)(H,118,119)(H,120,121)/b21-20-,40-38+/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82+,83-,84+,85-,86+,87+,90+,91+/m1/s1
HMDB11800	Ganglioside GD1a (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H155N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(107)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-72(113)71(112)76(62(47-97)123-83)126-85-74(115)81(131-89(87(118)119)42-57(104)66(91-52(5)101)79(129-89)68(109)59(106)44-94)77(63(48-98)124-85)127-82-53(40-50(3)99)75(69(110)60(45-95)121-82)125-84-73(114)80(70(111)61(46-96)122-84)130-88(86(116)117)41-56(103)65(90-51(4)100)78(128-88)67(108)58(105)43-93/h20-21,36,38,53-63,65-85,93-98,102-106,108-115H,6-19,22-35,37,39-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,107)(H,116,117)(H,118,119)/b21-20-,38-36+/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80+,81-,82+,83-,84+,85+,88+,89+/m1/s1
HMDB11801	Ganglioside GD1a (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C90H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-65(108)93-55(56(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)50-121-84-73(114)72(113)77(63(48-98)124-84)127-86-75(116)82(132-90(88(119)120)43-58(105)67(92-53(5)102)80(130-90)69(110)60(107)45-95)78(64(49-99)125-86)128-83-54(41-51(3)100)76(70(111)61(46-96)122-83)126-85-74(115)81(71(112)62(47-97)123-85)131-89(87(117)118)42-57(104)66(91-52(4)101)79(129-89)68(109)59(106)44-94/h37,39,54-64,66-86,94-99,103-107,109-116H,6-36,38,40-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,108)(H,117,118)(H,119,120)/b39-37+/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81+,82-,83+,84-,85+,86+,89+,90+/m1/s1
HMDB11806	Ganglioside GD1a (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C93H163N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(111)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-76(117)75(116)80(66(51-101)127-87)130-89-78(119)85(135-93(91(122)123)46-61(108)70(95-56(5)105)83(133-93)72(113)63(110)48-98)81(67(52-102)128-89)131-86-57(44-54(3)103)79(73(114)64(49-99)125-86)129-88-77(118)84(74(115)65(50-100)126-88)134-92(90(120)121)45-60(107)69(94-55(4)104)82(132-92)71(112)62(109)47-97/h20-21,40,42,57-67,69-89,97-102,106-110,112-119H,6-19,22-39,41,43-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,111)(H,120,121)(H,122,123)/b21-20-,42-40+/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84+,85-,86+,87-,88+,89+,92+,93+/m1/s1
HMDB11807	Ganglioside GD1b (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C79H139N3O39/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-45(92)44(82-54(96)29-27-25-23-20-15-13-11-9-7-2)39-110-73-64(104)62(102)67(52(37-87)113-73)116-75-65(105)71(68(53(38-88)114-75)117-72-43(30-40(3)89)66(59(99)50(35-85)111-72)115-74-63(103)61(101)58(98)49(34-84)112-74)121-79(77(108)109)32-47(94)56(81-42(5)91)70(120-79)60(100)51(36-86)118-78(76(106)107)31-46(93)55(80-41(4)90)69(119-78)57(97)48(95)33-83/h43-53,55-75,83-88,92-95,97-105H,6-39H2,1-5H3,(H,80,90)(H,81,91)(H,82,96)(H,106,107)(H,108,109)/t43-,44+,45-,46+,47+,48-,49-,50-,51-,52-,53-,55-,56-,57-,58+,59+,60-,61+,62-,63-,64-,65-,66-,67-,68+,69?,70?,71-,72+,73-,74+,75+,78-,79+/m1/s1
HMDB11804	Ganglioside GD1a (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C92H163N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-67(110)95-57(58(105)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)52-123-86-75(116)74(115)79(65(50-100)126-86)129-88-77(118)84(134-92(90(121)122)45-60(107)69(94-55(5)104)82(132-92)71(112)62(109)47-97)80(66(51-101)127-88)130-85-56(43-53(3)102)78(72(113)63(48-98)124-85)128-87-76(117)83(73(114)64(49-99)125-87)133-91(89(119)120)44-59(106)68(93-54(4)103)81(131-91)70(111)61(108)46-96/h39,41,56-66,68-88,96-101,105-109,111-118H,6-38,40,42-52H2,1-5H3,(H,93,103)(H,94,104)(H,95,110)(H,119,120)(H,121,122)/b41-39+/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,66-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83+,84-,85+,86-,87+,88+,91+,92+/m1/s1
HMDB11805	Ganglioside GD1a (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C93H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(111)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-76(117)75(116)80(66(51-101)127-87)130-89-78(119)85(135-93(91(122)123)46-61(108)70(95-56(5)105)83(133-93)72(113)63(110)48-98)81(67(52-102)128-89)131-86-57(44-54(3)103)79(73(114)64(49-99)125-86)129-88-77(118)84(74(115)65(50-100)126-88)134-92(90(120)121)45-60(107)69(94-55(4)104)82(132-92)71(112)62(109)47-97/h40,42,57-67,69-89,97-102,106-110,112-119H,6-39,41,43-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,111)(H,120,121)(H,122,123)/b42-40+/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84+,85-,86+,87-,88+,89+,92+,93+/m1/s1
HMDB44719	TG(18:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-
HMDB11808	Ganglioside GD1b (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C81H143N3O39/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-47(94)46(84-56(98)31-29-27-25-23-20-17-15-13-11-9-7-2)41-112-75-66(106)64(104)69(54(39-89)115-75)118-77-67(107)73(70(55(40-90)116-77)119-74-45(32-42(3)91)68(61(101)52(37-87)113-74)117-76-65(105)63(103)60(100)51(36-86)114-76)123-81(79(110)111)34-49(96)58(83-44(5)93)72(122-81)62(102)53(38-88)120-80(78(108)109)33-48(95)57(82-43(4)92)71(121-80)59(99)50(97)35-85/h45-55,57-77,85-90,94-97,99-107H,6-41H2,1-5H3,(H,82,92)(H,83,93)(H,84,98)(H,108,109)(H,110,111)/t45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,55-,57-,58-,59-,60+,61+,62-,63+,64-,65-,66-,67-,68-,69-,70+,71?,72?,73-,74+,75-,76+,77+,80-,81+/m1/s1
HMDB11809	Ganglioside GD1b (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H147N3O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-49(96)48(86-58(100)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-114-77-68(108)66(106)71(56(41-91)117-77)120-79-69(109)75(72(57(42-92)118-79)121-76-47(34-44(3)93)70(63(103)54(39-89)115-76)119-78-67(107)65(105)62(102)53(38-88)116-78)125-83(81(112)113)36-51(98)60(85-46(5)95)74(124-83)64(104)55(40-90)122-82(80(110)111)35-50(97)59(84-45(4)94)73(123-82)61(101)52(99)37-87/h47-57,59-79,87-92,96-99,101-109H,6-43H2,1-5H3,(H,84,94)(H,85,95)(H,86,100)(H,110,111)(H,112,113)/t47-,48+,49-,50+,51+,52-,53-,54-,55-,56-,57-,59-,60-,61-,62+,63+,64-,65+,66-,67-,68-,69-,70-,71-,72+,73?,74?,75-,76+,77-,78+,79+,82-,83+/m1/s1
HMDB56812	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-20,23-24,28-30,32,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB49883	TG(18:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24-26,28,30,32,34,40,43,56H,4-20,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b24-21-,28-25-,30-26-,34-32-,43-40-
HMDB49882	TG(18:1(9Z)/18:1(11Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h21,24-26,28,30,56H,4-20,22-23,27,29,31-55H2,1-3H3/b24-21-,28-25-,30-26-
HMDB49880	TG(18:1(9Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,53H,4-20,22-23,25,27,29-52H2,1-3H3/b24-21-,28-26-
HMDB49887	TG(18:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,34,37,54H,4-15,17-18,20,22-23,27,30-33,35-36,38-53H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-34-
HMDB49885	TG(18:1(9Z)/18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h21,24-26,28,34,60H,4-20,22-23,27,29-33,35-59H2,1-3H3/b24-21-,28-25-,34-26-
HMDB49884	TG(18:1(9Z)/18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h21,24-26,28,32,58H,4-20,22-23,27,29-31,33-57H2,1-3H3/b24-21-,28-25-,32-26-
HMDB49889	TG(18:1(9Z)/18:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28,30,32,34,56H,4-15,17-18,20,22-23,27,29,31,33,35-55H2,1-3H3/b19-16-,24-21-,28-25-,30-26-,34-32-
HMDB49888	TG(18:1(9Z)/18:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-26,29,55H,4-12,14-15,17-20,23,27-28,30-54H2,1-3H3/b16-13-,24-21-,25-22-,29-26-
HMDB58709	CL(18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,61,63,65,67,82-84,89H,5-20,23-24,28-30,32,35,39-40,46-49,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB52487	TG(18:2(9Z,12Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,35-36,41,44,61H,4-17,19,22,24-26,28,30-34,37-40,42-43,45-60H2,1-3H3/b21-18-,23-20-,35-27-,36-29-,44-41-
HMDB52486	TG(18:2(9Z,12Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3/h20-21,23-24,29-30,36-37,62H,4-19,22,25-28,31-35,38-61H2,1-3H3/b23-20-,24-21-,36-29-,37-30-
HMDB28758	Aspartyl-Lysine	NCCCCC(N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)
HMDB28759	Aspartyl-Methionine	CSCCC(N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)
HMDB52483	TG(18:2(9Z,12Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,33,35,37,41,44,63H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31-32,34,36,38-40,42-43,45-62H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-33-,37-30-,44-41-
HMDB52482	TG(18:2(9Z,12Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35-36,39,45,48,61H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,37-38,40-44,46-47,49-60H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-30-,39-36-,48-45-
HMDB52481	TG(18:2(9Z,12Z)/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29-30,35-36,39,61H,4-7,9-10,12-16,18-19,22-23,25,27-28,31-34,37-38,40-60H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,35-30-,39-36-
HMDB52480	TG(18:2(9Z,12Z)/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,33-34,39,42,59H,4-8,10-11,13-17,19,22,24-26,28,30-32,35-38,40-41,43-58H2,1-3H3/b12-9-,21-18-,23-20-,33-27-,34-29-,42-39-
HMDB28752	Aspartyl-Glutamate	NC(CCC([O-])=O)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C9H14N2O7/c10-4(1-2-6(12)13)8(16)11-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/p-1
HMDB28753	Aspartyl-Glycine	NCC(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)
HMDB28750	Aspartyl-Cysteine	NC(CS)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C7H12N2O5S/c8-3(2-15)6(12)9-4(7(13)14)1-5(10)11/h3-4,15H,1-2,8H2,(H,9,12)(H,10,11)(H,13,14)
HMDB28751	Aspartyl-Glutamine	NC(CCC(N)=O)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C9H15N3O6/c10-4(1-2-6(11)13)8(16)12-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)
HMDB04808	7C-aglycone	C\C(CCC(O)=O)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O	InChI=1S/C18H18O4/c1-11(8-10-16(19)20)7-9-13-12(2)17(21)14-5-3-4-6-15(14)18(13)22/h3-7H,8-10H2,1-2H3,(H,19,20)/b11-7-
HMDB28757	Aspartyl-Leucine	CC(C)CC(N)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C10H18N2O5/c1-5(2)3-6(11)9(15)12-7(10(16)17)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
HMDB28754	Aspartyl-Hydroxyproline	OC1CNC(C1)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C9H14N2O6/c12-4-1-5(10-3-4)8(15)11-6(9(16)17)2-7(13)14/h4-6,10,12H,1-3H2,(H,11,15)(H,13,14)(H,16,17)
HMDB28755	Aspartyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CC(O)=O)C(O)=O	InChI=1S/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)
HMDB44612	TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30-31,35,38,57H,4-6,8-9,11-15,17-18,20-24,26,28-29,32-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,27-25-,31-30-,38-35-
HMDB44099	TG(16:0/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,56H,4-15,17-18,21-22,24,26,28-55H2,1-3H3/b19-16-,23-20-,27-25-
HMDB56339	DG(20:4n6/0:0/20:5n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,41,44H,3-4,6,8-10,15-16,21-22,27-28,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB56338	DG(20:4n6/0:0/20:4n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,30,32,41,44H,3-4,6,8-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-
HMDB56335	DG(20:4n6/0:0/22:5n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-
HMDB56334	DG(20:4n6/0:0/22:4n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30-31,33,43,46H,3-10,15-16,21,23,26,29,32,34-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-
HMDB56337	DG(20:4n6/0:0/18:4n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27-28,30,39,42H,3-5,7,9-10,15-16,20,23,26,29,31-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-
HMDB56336	DG(20:4n6/0:0/18:3n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,39,42H,3-5,7,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-
HMDB56331	DG(20:3n6/0:0/22:6n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-4,6,8-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-
HMDB56330	DG(20:3n6/0:0/22:5n3)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,43,46H,3-4,6,8-10,15-16,21,23,26,29,31-42H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-
HMDB56333	DG(20:4n6/0:0/22:2n6)	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,31,33,43,46H,3-10,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,27-25-,33-31-
HMDB56332	DG(20:4n6/0:0/20:4n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,41,44H,3-10,15-16,21-22,27-28,33-40H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB44098	TG(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,30,32,38,41,54H,4-15,17-18,21-22,24,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,23-20-,27-25-,32-30-,41-38-
HMDB12590	15-Oxo-lipoxin A4	CCCCCC(=O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(O)=O	InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t18-,19-/m1/s1
HMDB12593	16(S)-hydroxy-18-oxo-18-CoA-LTE4	O[C@@H](CCC\C=C/C=C/C=C/[C@@H](SC[C@@H](N)C(O)=O)[C@@H](O)CCCC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C42H67N8O23P3S2/c1-42(2,22-70-76(67,68)73-75(65,66)69-20-28-35(72-74(62,63)64)34(57)40(71-28)50-24-49-33-37(44)47-23-48-38(33)50)36(58)39(59)46-16-15-30(53)45-17-18-77-32(56)19-25(51)11-8-6-4-3-5-7-9-13-29(78-21-26(43)41(60)61)27(52)12-10-14-31(54)55/h3-5,7,9,13,23-29,34-36,40,51-52,57-58H,6,8,10-12,14-22,43H2,1-2H3,(H,45,53)(H,46,59)(H,54,55)(H,60,61)(H,65,66)(H,67,68)(H2,44,47,48)(H2,62,63,64)/p-4/b4-3-,7-5+,13-9+/t25-,26+,27-,28+,29+,34-,35-,36?,40+/m0/s1
HMDB12594	16,18-Oxo-18-CoA-dinor-LTE4	O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C42H65N8O23P3S2/c1-42(2,22-70-76(67,68)73-75(65,66)69-20-28-35(72-74(62,63)64)34(57)40(71-28)50-24-49-33-37(44)47-23-48-38(33)50)36(58)39(59)46-16-15-30(53)45-17-18-77-32(56)19-25(51)11-8-6-4-3-5-7-9-13-29(78-21-26(43)41(60)61)27(52)12-10-14-31(54)55/h3-5,7,9,13,23-24,26-29,34-36,40,52,57-58H,6,8,10-12,14-22,43H2,1-2H3,(H,45,53)(H,46,59)(H,54,55)(H,60,61)(H,65,66)(H,67,68)(H2,44,47,48)(H2,62,63,64)/p-4/b4-3-,7-5+,13-9+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1
HMDB12597	16E-18-Oxo-18-CoA-dinor-LTE4	O[C@@H](CCCC(O)=O)[C@H](SC[C@@H](N)C(O)=O)\C=C\C=C\C=C/CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@@H](O)[C@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6,8,10-11,14,16,24-29,34-36,40,51,56-57H,5,7,9,12-13,15,17-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-4/b4-3-,8-6+,14-10+,16-11+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1
HMDB12598	17-HETE	CCCC(O)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/b5-3-,8-6-,11-9-,14-12-
HMDB56483	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77?,78-,79-/m1/s1
HMDB56482	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35-36,38-40,44,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-43,45-46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-44-,59-55-/t76?,77-,78-/m1/s1
HMDB56481	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25,33-35,37-39,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,36,40-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,39-34-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56480	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB56487	CL(16:0/18:0/16:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C77H150O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h71-73,78H,5-70H2,1-4H3,(H,83,84)(H,85,86)/t72-,73-/m1/s1
HMDB56486	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56485	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-36,39-42,47-48,50,52,58,62,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB56484	CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB56489	CL(16:0/18:0/16:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,29,71-73,78H,5-24,26-28,30-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-/t71?,72-,73-/m1/s1
HMDB44788	TG(18:0/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,29,32,57H,4-19,21-22,24-28,30-31,33-56H2,1-3H3/b23-20-,32-29-
HMDB44787	TG(18:0/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25,28,62H,4-24,26-27,29-61H2,1-3H3/b28-25-
HMDB44786	TG(18:0/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25,28,60H,4-24,26-27,29-59H2,1-3H3/b28-25-
HMDB44785	TG(18:0/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,33,36,42,45,58H,4-24,26-27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b28-25-,36-33-,45-42-
HMDB44783	TG(18:0/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h26,30,56H,4-25,27-29,31-55H2,1-3H3/b30-26-
HMDB44095	TG(16:0/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,33,36,52H,4-15,17-18,21-22,24,26,28-32,34-35,37-51H2,1-3H3/b19-16-,23-20-,27-25-,36-33-
HMDB44782	TG(18:0/20:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB44781	TG(18:0/20:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-
HMDB44780	TG(18:0/20:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-
HMDB00614	PS(16:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34?,35-/m0/s1
HMDB00617	2-Furoic acid	OC(=O)C1=CC=CO1	InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
HMDB00611	Coproporphyrin II	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(C)=C3CCC(O)=O	InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-15-30-23(7-11-35(45)46)19(3)27(39-30)14-28-20(4)24(8-12-36(47)48)32(40-28)16-31-22(6-10-34(43)44)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-15-,31-16-,32-16-
HMDB00610	CE(18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1	InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
HMDB00613	Erythronic acid	OC[C@@H](O)[C@@H](O)C(O)=O	InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1
HMDB44094	TG(16:0/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,27,29,53H,4-18,21,24-26,28,30-52H2,1-3H3/b22-19-,23-20-,29-27-
HMDB00619	Cholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
HMDB00618	D-Ribulose 5-phosphate	OC1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O	InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m0/s1
HMDB55688	TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,36,39,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-35,37-38,40-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,39-36-
HMDB55689	TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,55H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB55684	TG(20:4(8Z,11Z,14Z,17Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-6,9,12-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-
HMDB55685	TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-33,37-38,40-41,54H,4-6,9,12-15,18,21-23,28-29,34-36,39,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB55686	TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38-39,42,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-
HMDB55687	TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-6,9,12-15,18,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB55680	TG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-6,9,12-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-
HMDB55681	TG(20:4(8Z,11Z,14Z,17Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,59H,4-6,9,12-15,18,21-24,27,30-32,35,38-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB55682	TG(20:4(8Z,11Z,14Z,17Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-34,36-37,42,45,59H,4-6,9,12-15,18,21-24,27,30-32,35,38-41,43-44,46-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB55683	TG(20:4(8Z,11Z,14Z,17Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,61H,4-6,9,12-15,18,21-24,27,30-31,33,36-37,40-41,43-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-
HMDB33701	Hydrocotarnine	COC1=C2OCOC2=CC2=C1CN(C)CC2	InChI=1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3
HMDB33700	(-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one	CC\C=C\CC1CCCC(=O)O1	InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3+
HMDB42194	TG(14:0/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-
HMDB33703	Coroloside	CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1	InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3
HMDB42195	TG(14:0/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-
HMDB36950	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnopyranosyl-(1	CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OCC(O)C(O)C1O	InChI=1S/C78H122O43/c1-26-55(114-64-48(95)40(87)31(84)23-105-64)58(116-66-50(97)45(92)42(89)33(20-79)110-66)54(101)69(107-26)120-62-60(118-67-51(98)46(93)43(90)34(21-80)111-67)56(109-28(3)83)27(2)108-70(62)121-72(104)78-17-16-73(4,5)18-30(78)29-10-11-37-74(6)14-13-39(75(7,25-82)36(74)12-15-76(37,8)77(29,9)19-38(78)86)113-71-61(119-68-52(99)47(94)44(91)35(22-81)112-68)57(53(100)59(117-71)63(102)103)115-65-49(96)41(88)32(85)24-106-65/h10,25-27,30-62,64-71,79-81,84-101H,11-24H2,1-9H3,(H,102,103)
HMDB06519	Stearidonoyl CoA	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-,15-14-/t28-,32?,33+,34+,38-/m1/s1
HMDB44092	TG(16:0/18:1(11Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,56H,4-19,21-22,24,26,28-55H2,1-3H3/b23-20-,27-25-
HMDB06514	Timnodonyl CoA	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34?,35+,36+,40-/m1/s1
HMDB33705	Salviaflaside	OCC1OC(OC2=C(O)C=CC(\C=C/C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C2)C(O)C(O)C1O	InChI=1S/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-8-11(1-5-14(16)27)3-6-19(29)35-17(23(33)34)9-12-2-4-13(26)15(28)7-12/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3-
HMDB06516	Tetracosatetraenoyl CoA	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-/t34-,38?,39+,40+,44-/m1/s1
HMDB06510	Cervonyl carnitine	CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C29H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,27H,5,8,11,14,17,20,23-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
HMDB06511	2,3-Diketo-L-gulonate	OC[C@H](O)C(O)C(=O)C(=O)C(O)=O	InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3?/m0/s1
HMDB06512	3-Mercaptolactate-cysteine disulfide	N[C@@H](CSSCC(O)C(O)=O)C(O)=O	InChI=1S/C6H11NO5S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
HMDB06513	Docosa-4,7,10,13,16-pentaenoyl CoA	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4-7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36?,37+,38+,42-/m1/s1
HMDB52300	TG(24:1(15Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,35,61H,4-8,10-11,13-17,19-20,22-24,26,29-34,36-60H2,1-3H3/b12-9-,21-18-,28-25-,35-27-
HMDB42198	TG(14:0/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,53H,4-13,15-16,18-22,24,26-52H2,1-3H3/b17-14-,25-23-
HMDB52302	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,35-36,43,46,61H,4-8,10-11,13-17,19,22,24,26,30-34,37-42,44-45,47-60H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,35-27-,36-29-,46-43-
HMDB52303	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,34-35,40,42-43,45,60H,4-8,10-11,13-16,19,22-24,29-33,36-39,41,44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,45-42-
HMDB52304	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,25-28,35,43,46,61H,4-8,10-11,13,15-16,19-20,22,24,29-34,36-42,44-45,47-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,28-25-,35-27-,46-43-
HMDB36955	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-a-L-rhamnopyranosyl-(1-&gt;2)]-4-O-acetyl-b-D-fuco	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C74H116O39/c1-25-38(81)43(86)47(90)61(99-25)108-55-51(94)56(60(96)97)109-67(58(55)111-64-50(93)46(89)42(85)33(23-77)105-64)106-37-14-15-70(7)34(71(37,8)24-78)13-16-72(9)35(70)12-11-29-30-19-69(5,6)17-18-74(30,36(80)20-73(29,72)10)68(98)113-66-59(57(53(27(3)101-66)102-28(4)79)110-63-49(92)45(88)41(84)32(22-76)104-63)112-65-52(95)54(39(82)26(2)100-65)107-62-48(91)44(87)40(83)31(21-75)103-62/h11,24-27,30-59,61-67,75-77,80-95H,12-23H2,1-10H3,(H,96,97)
HMDB52306	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,36-37,39,44-45,47-48,62H,4-8,10-11,13-16,19,22-24,30-35,38,40-43,46,49-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,39-37-,47-44-,48-45-
HMDB42199	TG(14:0/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,30,32,54H,4-15,17-18,20-23,25,27-29,31,33-53H2,1-3H3/b19-16-,26-24-,32-30-
HMDB52308	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,41,44,46,49,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,50-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-
HMDB52309	TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,41,44,46,49-50,53,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-40,42-43,45,47-48,51-52,54-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,44-41-,49-46-,53-50-
HMDB33706	Salviaflaside methyl ester	COC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1	InChI=1S/C25H28O13/c1-35-24(34)18(10-13-3-5-14(27)16(29)8-13)36-20(30)7-4-12-2-6-15(28)17(9-12)37-25-23(33)22(32)21(31)19(11-26)38-25/h2-9,18-19,21-23,25-29,31-33H,10-11H2,1H3/b7-4-
HMDB01054	Dolichyl b-D-glucosyl phosphate	OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(\C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H39O9P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-28-31(26,27)30-21-20(25)19(24)18(23)17(13-22)29-21/h7,9,16-25H,5-6,8,10-13H2,1-4H3,(H,26,27)/b15-9-/t16?,17-,18-,19+,20-,21+/m1/s1
HMDB54224	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB01056	Dihydrofolic acid	NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1	InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1
HMDB01057	3-Methylglutaconyl-CoA	C\C(CC(O)=O)=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-9+
HMDB01050	Hypochlorite	[O-]Cl	InChI=1S/ClO/c1-2/q-1
HMDB01051	Glyceraldehyde	OCC(O)C=O	InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
HMDB01052	(S)-3-Hydroxyisobutyryl-CoA	CC(CO)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)
HMDB54222	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,38-39,41,45,47-48,50,62H,4-15,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB01058	Fructose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@H](COP(O)(O)=O)O[C@@H]1COP(O)(O)=O	InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
HMDB01059	Inositol 1,3,4,5-tetraphosphate	O[C@H]1C(OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)C(OP(O)(O)=O)[C@H]1OP(O)(O)=O	InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3?,4-,5+,6?/m0/s1
HMDB40134	Calebin A	COC1=CC(\C=C\C(=O)COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
HMDB40135	Hydroxydestruxin B	CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O	InChI=1S/C30H51N5O8/c1-10-18(4)23-28(40)34(9)24(17(2)3)29(41)33(8)19(5)25(37)31-14-13-22(36)43-21(16-30(6,7)42)27(39)35-15-11-12-20(35)26(38)32-23/h17-21,23-24,42H,10-16H2,1-9H3,(H,31,37)(H,32,38)
HMDB40136	beta-D-Glucosyloxydestruxin B	CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)OC2OC(CO)C(O)C(O)C2O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O	InChI=1S/C36H61N5O13/c1-10-19(4)25-33(50)40(9)26(18(2)3)34(51)39(8)20(5)30(47)37-14-13-24(43)52-22(32(49)41-15-11-12-21(41)31(48)38-25)16-36(6,7)54-35-29(46)28(45)27(44)23(17-42)53-35/h18-23,25-29,35,42,44-46H,10-17H2,1-9H3,(H,37,47)(H,38,48)
HMDB40137	Decarbamoylgonyautoxin III	OCC1NC(=N)N2CC(OS(O)(=O)=O)C(O)(O)C22NC(=N)NC12	InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)
HMDB40130	Carboxyhomoyessotoxin	CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(CC=C)C(O)=O	InChI=1S/C56H84O23S2/c1-9-11-30(51(58)59)13-16-52(4,60)50-29(3)20-39-38(74-50)26-46-56(8,77-39)49(57)48-42(73-46)24-41-47(75-48)28(2)12-17-54(6)44(72-41)27-43-55(7,79-54)18-14-31-32(71-43)21-34-33(68-31)22-35-36(69-34)23-40-37(70-35)25-45(78-81(64,65)66)53(5,76-40)15-10-19-67-80(61,62)63/h9,13,16,28,30-50,57,60H,1,3,10-12,14-15,17-27H2,2,4-8H3,(H,58,59)(H,61,62,63)(H,64,65,66)/b16-13+
HMDB40131	Nicotinamide ascorbate	NC(=O)C1=CC=CN=C1.OCC(O)C1OC(=O)C(O)=C1O	InChI=1S/C6H6N2O.C6H8O6/c7-6(9)5-2-1-3-8-4-5;7-1-2(8)5-3(9)4(10)6(11)12-5/h1-4H,(H2,7,9);2,5,7-10H,1H2
HMDB40132	2-Amino-9-methyl-4,8-octadecadiene-1,3-diol; (2S,3R,4E,8E)-form, N-(2R-Hydroxyhexadecanoyl)	CCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C(/C)CCCCCCCCC	InChI=1S/C35H67NO4/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-34(39)35(40)36-32(30-37)33(38)28-25-21-23-27-31(3)26-22-19-17-11-9-7-5-2/h25,27-28,32-34,37-39H,4-24,26,29-30H2,1-3H3,(H,36,40)/b28-25+,31-27+
HMDB40133	Pectenotoxin 2 secoacid	CC(CC1(C)CCC(O1)C12CCC(C)(CC(O1)C1OC(C)(CC1=O)C(O)C1CCC3(CCCC(O3)C(C)C(O)=O)O1)O2)\C=C(/C)\C=C\C1OC(CC1O)C1(O)OCCC(C)C1O	InChI=1S/C47H72O15/c1-26(10-11-33-30(48)22-37(56-33)47(54)39(50)28(3)14-20-55-47)21-27(2)23-42(5)16-13-36(60-42)46-19-18-43(6,62-46)25-35(59-46)38-31(49)24-44(7,61-38)40(51)34-12-17-45(58-34)15-8-9-32(57-45)29(4)41(52)53/h10-11,21,27-30,32-40,48,50-51,54H,8-9,12-20,22-25H2,1-7H3,(H,52,53)/b11-10+,26-21+
HMDB40138	2'',4''-Diacetylafzelin	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(C)=O)C(O)C1OC(C)=O	InChI=1S/C25H24O12/c1-10-21(34-11(2)26)20(32)24(35-12(3)27)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3
HMDB40139	3'',4''-Diacetylafzelin	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(OC(C)=O)C1OC(C)=O	InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3
HMDB33745	Ethyl 2-methylbutyrate	CCOC(=O)C(C)CC	InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
HMDB44090	TG(16:0/18:1(11Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,54H,4-19,21-22,24,26,28-53H2,1-3H3/b23-20-,27-25-
HMDB46820	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB46821	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,36,39,45,48,54,57,66H,4-15,17,20,22-24,26,29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,39-36-,48-45-,57-54-
HMDB46822	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,54,57,66H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB51763	TG(22:1(13Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17,20,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB51762	TG(22:1(13Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,37,43,46,66H,4-6,8-9,11-15,17,20,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB51761	TG(22:1(13Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,38,41,47,50,64H,4-8,10-11,13-16,19,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB46823	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB51767	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,34,36-37,42,45,63H,4-16,18-19,22-23,27,31-33,35,38-41,43-44,46-62H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,37-30-,45-42-
HMDB51766	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,37,41,47,50,68H,4-17,19-20,22-24,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-37-,50-47-
HMDB51765	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,39,45,48,66H,4-17,19-20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51764	TG(22:1(13Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,63H,4-16,18-19,21-24,27,30-62H2,1-3H3/b20-17-,28-25-,29-26-
HMDB46824	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35-36,41,44,50,53,62H,4-8,10-11,13-16,19,22-25,28,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB51769	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,34,36,42,45,63H,4-14,16,19,21-23,30-33,35,37-41,43-44,46-62H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,36-34-,45-42-
HMDB51768	TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,33,35-36,41-42,44-45,62H,4-16,19,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB46825	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35-36,41-42,44-45,50,53,62H,4-8,10-11,13-16,19,22-25,28,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB46827	TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,34,37-38,41,43,46-47,50,52,55,64H,4-8,10-11,13-16,19,22-25,28,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB09223	PE(20:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40,44H2,1-2H3,(H,47,48)/b16-14-/t41-/m1/s1
HMDB09222	PE(20:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1
HMDB09221	PE(20:0/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38,42H2,1-2H3,(H,45,46)/b16-14-/t39-/m1/s1
HMDB09220	PE(20:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
HMDB09227	PE(20:0/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,41H,3-5,7,9-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-/t41-/m1/s1
HMDB09226	PE(20:0/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,26,28,41H,3-11,13,15-17,19-20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-,28-26-/t41-/m1/s1
HMDB09225	PE(20:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,41H,3-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-/t41-/m1/s1
HMDB09224	PE(20:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,41H,3-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b21-18-/t41-/m1/s1
HMDB07647	DG(22:2(13Z,16Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,37,40H,3-9,14-15,18-36H2,1-2H3/b12-10-,13-11-,17-16-/t37-/m0/s1
HMDB07646	DG(22:2(13Z,16Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,37,40H,3-10,12,14-15,18-36H2,1-2H3/b13-11-,17-16-/t37-/m0/s1
HMDB09229	PE(20:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1
HMDB09228	PE(20:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,26,28,41H,3-5,7,9-11,13,15-17,19-20,22-25,27,29-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-,28-26-/t41-/m1/s1
HMDB07643	DG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,36,38,45,48H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1
HMDB07642	DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,45,48H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t45-/m0/s1
HMDB07641	DG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,36,38,45,48H,3-11,13,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1
HMDB07640	DG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,45,48H,3-11,13,15-16,21-23,25,27-29,31,33-44H2,1-2H3/b14-12-,19-17-,20-18-,26-24-,32-30-/t45-/m0/s1
HMDB35688	Valencene	CC1CCC=C2CCC(CC12C)C(C)=C	InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3
HMDB35689	Melleolide	CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C=C(C=O)C12O	InChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3
HMDB35686	beta-Citraurinene	CC(C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C	InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14-,25-15+,26-18-
HMDB35687	Acetylvalerenolic acid	CC1CCC(\C=C(/C)C(O)=O)C2=C(C)CC(OC(C)=O)C12	InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+
HMDB35684	Deacetylnomilin	CC12CCC3C4(C)C(CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1)C(C)(C)OC(=O)CC4O	InChI=1S/C26H32O8/c1-22(2)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)33-22)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3
HMDB35685	beta-Citraurol	C\C(CO)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C	InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+
HMDB35682	delta-Damascone	C\C=C\C(=O)C1C(C)C=CCC1(C)C	InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+
HMDB35683	Dukunolide A	CC12OC(=O)C3OC13C(C)(C)C(=O)C1(O)CC3=CCCC4(C)C(OC(=O)C(=C34)C21O)C1=COC=C1	InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3
HMDB35680	3-Hydroxy-1-phenyl-1-octadecanone	CCCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1	InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19,23,25H,2-13,17,20-21H2,1H3
HMDB35681	3-Hydroxy-1-phenyl-1-heneicosanone	CCCCCCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1	InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)24-27(29)25-21-18-17-19-22-25/h17-19,21-22,26,28H,2-16,20,23-24H2,1H3
HMDB33213	(3alpha,20R,24Z)-3-Hydroxy-21-oxoeupha-8,24-dien-26-oic acid	C\C(=C\CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O	InChI=1S/C30H46O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24-25,32H,7,9-17H2,1-6H3,(H,33,34)/b19-8-
HMDB33212	Dimethyl selenide	C[Se]C	InChI=1S/C2H6Se/c1-3-2/h1-2H3
HMDB33211	Avenanthramide 2	COC1=CC(\C=C\C(=O)NC2=CC(OC)=C(O)C=C2C(O)=O)=CC=C1O	InChI=1S/C18H17NO7/c1-25-15-7-10(3-5-13(15)20)4-6-17(22)19-12-9-16(26-2)14(21)8-11(12)18(23)24/h3-9,20-21H,1-2H3,(H,19,22)(H,23,24)/b6-4+
HMDB02504	3-Sulfodeoxycholic acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)C1[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O	InChI=1S/C23H38O7S/c1-13(3-8-21(25)26)16-6-7-18-17-5-4-14-11-15(30-31(27,28)29)9-10-23(14,2)19(17)12-20(24)22(16)18/h13-20,22,24H,3-12H2,1-2H3,(H,25,26)(H,27,28,29)/t13-,14-,15-,16-,17+,18+,19+,20+,22?,23+/m1/s1
HMDB02503	Vanadium	[V+3]	InChI=1S/V/q+3
HMDB33216	7-Methyl-3-methylene-1,2,6,7-octanetetrol; (2R,6x)-form, 2-O-b-D-Glucopyranoside	CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(6-17)24-15-14(22)13(21)12(20)10(7-18)25-15/h9-15,17-23H,1,4-7H2,2-3H3
HMDB02501	Germanium	[Ge+4]	InChI=1S/Ge/q+4
HMDB02500	Bromide	[Br-]	InChI=1S/BrH/h1H/p-1
HMDB53941	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,40,43,58H,4-8,10-11,13-15,22-24,30-31,37-39,41-42,44-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,43-40-
HMDB53940	TG(20:3n6/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,34,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-
HMDB33219	2,5,7-Fenchanetriol; (1S,2S,4R,5S,7S)-form, 2-O-b-D-Glucopyranoside	CC1(C)C2C(O)CC(C)(C2O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O8/c1-15(2)8-6(18)4-16(3,12(8)22)14(15)24-13-11(21)10(20)9(19)7(5-17)23-13/h6-14,17-22H,4-5H2,1-3H3
HMDB33218	2,6-Dimethyl-7-octene-1,6-diol; 8-O-b-D-Glucopyranoside	CC(CCCC(C)(O)C=C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3
HMDB53945	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-
HMDB53944	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-
HMDB53947	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,36,38-39,41,56H,4-7,10,13-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-
HMDB53946	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-32,34,38,41,56H,4-7,10,13-15,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-
HMDB41667	3-O-Methylrosmarinic acid	[H]OC(=O)C([H])(OC(=O)C(\[H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	InChI=1S/C19H18O8/c1-26-16-9-12(3-6-14(16)21)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+
HMDB41666	3-Hydroxyphenyl-valeric acid	[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C(O[H])=C1[H]	InChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14)
HMDB41665	3-Hydroxy-4-methoxyphenyllactic acid	[H]OC(=O)C([H])(O[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C(O[H])=C1[H]	InChI=1S/C10H12O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)
HMDB41663	3-(3,4-Dihydroxyphenyl)-2-methoxypropionic acid	[H]OC(=O)C([H])(OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C10H12O5/c1-15-9(10(13)14)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-12H,5H2,1H3,(H,13,14)
HMDB41662	3,4-O-Dimethylgallic acid	[H]OC(=O)C1=C([H])C(O[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)
HMDB41661	3,4-Dihydroxyphenyllactic acid methyl ester	[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C([H])([H])C([H])(O[H])C(=O)OC([H])([H])[H]	InChI=1S/C10H12O5/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-13H,5H2,1H3
HMDB41660	3'-O-Methylequol	[H]OC1=C([H])C([H])=C2C(OC([H])([H])[C@]([H])(C3=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])=C1[H]	InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1
HMDB49410	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,31,38,41,56H,4-17,19,22,24,26,29-30,32-37,39-40,42-55H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,41-38-
HMDB49411	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-17,19,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB49412	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,33,40,43,58H,4-17,19,22,24,26,29-32,34-39,41-42,44-57H2,1-3H3/b21-18-,23-20-,28-25-,33-27-,43-40-
HMDB49413	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,35,42,45,60H,4-17,19,22,24,26,29-34,36-41,43-44,46-59H2,1-3H3/b21-18-,23-20-,28-25-,35-27-,45-42-
HMDB49414	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-23,27-28,30-31,37,40,55H,4-17,24-26,29,32-36,38-39,41-54H2,1-3H3/b21-18-,22-19-,23-20-,30-27-,31-28-,40-37-
HMDB49415	TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30,34,36-37,39,54H,4-15,17,22,24,26,29,31-33,35,38,40-53H2,1-3H3/b19-16-,21-18-,23-20-,28-25-,30-27-,37-34-,39-36-
HMDB41669	4',7-Dihydroxy-3'-methoxyisoflavan	[H]OC1=C([H])C([H])=C2C(OC([H])([H])C([H])(C3=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C3[H])C2([H])[H])=C1[H]	InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3
HMDB41668	4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate)	[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(O[H])=C(OC([H])([H])[H])C(O[H])=C3[H])[C@]([H])(OC(=O)C3=C([H])C(O[H])=C(OC([H])([H])[H])C(O[H])=C3[H])C2([H])[H])=C1[H]	InChI=1S/C24H22O11/c1-32-22-15(27)3-10(4-16(22)28)21-20(9-13-14(26)7-12(25)8-19(13)34-21)35-24(31)11-5-17(29)23(33-2)18(30)6-11/h3-8,20-21,25-30H,9H2,1-2H3/t20-,21-/m1/s1
HMDB12838	6,7-dihydro-12-epi-LTB4	CCCCC\C=C/C[C@@H](O)\C=C\C=C\CC[C@H](O)CCCC(O)=O	InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18-19,21-22H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-,19+/m1/s1
HMDB12839	6,7-dihydro-5-oxo-12-epi-LTB4	CCCCC\C=C/C[C@@H](O)\C=C\C=C\CCC(=O)CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-/m1/s1
HMDB58545	CL(18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-38,40-44,47,51,59,63,80-82,87H,5-20,22-24,27-29,31-32,34,39,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB50412	TG(20:1(11Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,42,45,51,54,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,45-42-,54-51-
HMDB35404	Isogingerenone B	COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C=C2)=CC(OC)=C1O	InChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)6-4-5-7-17(23)10-8-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+
HMDB50410	TG(20:1(11Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,45,48,62H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-
HMDB50411	TG(20:1(11Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,33,36,42,45,64H,4-6,8-9,11-15,17-18,20-24,26,29,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,36-33-,45-42-
HMDB50416	TG(20:1(11Z)/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,66H,4-25,28,31-65H2,1-3H3/b29-26-,30-27-
HMDB50417	TG(20:1(11Z)/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,68H,4-24,26,29,31-67H2,1-3H3/b28-25-,30-27-
HMDB50414	TG(20:1(11Z)/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,64H,4-25,28,31-63H2,1-3H3/b29-26-,30-27-
HMDB35405	Gingerenone B	COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)8-10-17(23)7-5-4-6-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+
HMDB54207	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,36,38-39,42,44,47,61H,4-6,8-9,11-14,21-23,30-31,33,35,37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-
HMDB50418	TG(20:1(11Z)/24:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,37,63H,4-20,22-23,25,27-28,31-36,38-62H2,1-3H3/b24-21-,29-26-,37-30-
HMDB50419	TG(20:1(11Z)/24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,36,42,45,62H,4-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,29-26-,36-27-,45-42-
HMDB35406	3beta-3-Hydroxy-11-oxolanosta-8,24-dien-26-al	CC(CC\C=C(\C)C=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3	InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9-
HMDB54206	TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,34-37,42-43,45-46,59H,4-6,8-9,11-14,21-23,30-33,38-41,44,47-58H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-,45-42-,46-43-
HMDB02820	Methylimidazoleacetic acid	CN1C=NC(CC(O)=O)=C1	InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)
HMDB35407	Dehydrocurdione	CC1CC\C=C(C)/CC(=O)C(CC1=O)=C(C)C	InChI=1S/C15H22O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,12H,5,7-9H2,1-4H3/b11-6-
HMDB35400	1-Tridecene-3,5,7,9,11-pentayne	CC#CC#CC#CC#CC#CC=C	InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3
HMDB35401	Arnidenediol	CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CCC1=C	InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3
HMDB02823	Docosatrienoic acid	CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O	InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-
HMDB35402	Culinariside	CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCC\C=C\CCCCCCC	InChI=1S/C45H87NO10/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h16,20,36-43,45,47-53H,3-15,17-19,21-35H2,1-2H3,(H,46,54)/b20-16+
HMDB35403	Gingerenone A	COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C=C2)=CC=C1O	InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+
HMDB32162	Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer	OC(=O)C=C.CCC(C)(NC(=O)C=C)S(O)(=O)=O	InChI=1S/C7H13NO4S.C3H4O2/c1-4-6(9)8-7(3,5-2)13(10,11)12;1-2-3(4)5/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1H2,(H,4,5)
HMDB47549	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-16,19,22-25,28,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-
HMDB32160	3-(Acetylthio)-2-methylfuran	CC(=O)SC1=C(C)OC=C1	InChI=1S/C7H8O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H,1-2H3
HMDB32161	Acrylamide-acrylic acid resin	NC(=O)C=C.OC(=O)C=C	InChI=1S/C3H5NO.C3H4O2/c2*1-2-3(4)5/h2H,1H2,(H2,4,5);2H,1H2,(H,4,5)
HMDB32164	Allyl valerate	CCCCC(=O)OCC=C	InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3
HMDB47540	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,37,41,47,50,56,59,68H,4-17,19-20,22-25,28,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b21-18-,29-26-,30-27-,41-37-,50-47-,59-56-
HMDB47541	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,43,49,52,58,61,70H,4-17,19-20,22-24,26,29,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b21-18-,28-25-,30-27-,43-38-,52-49-,61-58-
HMDB47542	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,38-39,44,47,53,56,65H,4-16,18-19,22-23,25,27-28,31-34,36-37,40-43,45-46,48-52,54-55,57-64H2,1-3H3/b20-17-,24-21-,29-26-,38-35-,39-30-,47-44-,56-53-
HMDB47543	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,34,37-38,43-44,46-47,52,55,64H,4-16,19,22-25,28,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-
HMDB47544	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24,26-27,29,35,38,44,47,53,56,65H,4-14,16,19,21-23,25,28,30-34,36-37,39-43,45-46,48-52,54-55,57-64H2,1-3H3/b18-15-,20-17-,27-24-,29-26-,38-35-,47-44-,56-53-
HMDB47545	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39-40,43,45,48,54,57,66H,4-16,19,22-25,28,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-
HMDB47546	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,39-40,43,45,48-49,52,54,57,66H,4-16,19,22-25,28,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB47547	TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,37,41,47,50,56,59,68H,4-16,19,22-25,28,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-37-,50-47-,59-56-
HMDB56418	CL(16:0/16:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h25,29,71-73,78H,5-24,26-28,30-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-/t71?,72-,73-/m1/s1
HMDB58541	CL(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-38,40-43,45,53,57,78-80,85H,5-20,22-24,27-29,31-32,34,39,44,46-52,54-56,58-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,37-33-,40-35-,41-36-,42-38-,45-43-,57-53-/t78?,79-,80-/m1/s1
HMDB42446	TG(14:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30-33,39,42,54H,4-6,8-9,11-15,17-18,20-23,28-29,34-38,40-41,43-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB42447	TG(14:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30-33,38-39,41-42,54H,4-6,8-9,11-15,17-18,20-23,28-29,34-37,40,43-53H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42444	TG(14:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-29,31,37,40,52H,4-7,9-10,12-16,18-19,21-23,27,30,32-36,38-39,41-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,31-29-,40-37-
HMDB56414	CL(16:0/16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,26,28-30,32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,34-33-,37-36-,46-42-,58-54-/t73?,74-,75-/m1/s1
HMDB42445	TG(14:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,28-29,31,33,36-37,40,52H,4-7,9-10,12-16,18-19,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b11-8-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB03369	CDP-glucose	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
HMDB53423	TG(20:2n6/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,37,40,46,49,61H,4-14,17,20-23,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,40-37-,49-46-
HMDB03364	Quinone	O=C1C=CC(=O)C=C1	InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
HMDB42442	TG(14:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31,33-35,37,41,44,56H,4-15,17-18,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-
HMDB03366	Propanal	CCC=O	InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
HMDB44195	TG(16:0/22:1(13Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,58H,4-24,26,28-57H2,1-3H3/b27-25-
HMDB03361	Pyrimidine	C1=CN=CN=C1	InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
HMDB03362	Chitin	CC(=O)NC1[C@H](O)OC(CO)[C@@H](COC[C@@H]2OC(CO)[C@@H](COC[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3NC(C)=O)[C@H](O)C2NC(C)=O)[C@@H]1O	InChI=1S/C28H49N3O16/c1-11(35)29-21-19(9-44-8-15-17(5-33)47-28(42)23(25(15)39)31-13(3)37)45-16(4-32)14(24(21)38)7-43-10-20-22(30-12(2)36)27(41)26(40)18(6-34)46-20/h14-28,32-34,38-42H,4-10H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)/t14-,15-,16?,17?,18?,19+,20+,21?,22?,23?,24+,25+,26-,27-,28-/m1/s1
HMDB03363	Pectic acid	O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
HMDB56417	CL(16:0/16:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,29,69-71,76H,5-24,26-28,30-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-/t69?,70-,71-/m1/s1
HMDB42440	TG(14:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-33,38-39,41-42,54H,4-15,17-18,20-23,28-29,34-37,40,43-53H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB56410	CL(16:0/16:0/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,27,29,31,69-71,76H,5-24,26,28,30,32-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,31-27-/t69?,70-,71-/m1/s1
HMDB42441	TG(14:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,33,35,41,44,56H,4-15,17-18,20-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b19-16-,26-24-,27-25-,35-33-,44-41-
HMDB56411	CL(16:0/16:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27,31,33-34,69-71,76H,5-26,28-30,32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,34-33-/t69?,70-,71-/m1/s1
HMDB56412	CL(16:0/16:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,27,29,31,34-35,70-72,77H,5-24,26,28,30,32-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,31-27-,35-34-/t70?,71-,72-/m1/s1
HMDB56413	CL(16:0/16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,40,48,52,71-73,78H,5-20,22-24,26,28-30,32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,31-27-,34-33-,40-36-,52-48-/t71?,72-,73-/m1/s1
HMDB53967	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,36,38-39,41,47,50,62H,4-8,10-11,13-15,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB53966	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43,45-46,48,60H,4-8,10-11,13-15,22-24,31-33,40-42,44,47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-
HMDB53965	TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,45,48,60H,4-8,10-11,13-15,22-24,31-33,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,48-45-
HMDB01886	3-Methylxanthine	CN1C2=C(NC=N2)C(=O)NC1=O	InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
HMDB01885	3-Chlorotyrosine	NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O	InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)
HMDB53964	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,59H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-58H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB01882	Dihydroxyacetone	OCC(=O)CO	InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
HMDB01881	Propylene glycol	CC(O)CO	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
HMDB53963	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-6,8,11,13-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-
HMDB01889	Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O	InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
HMDB01888	N,N-Dimethylformamide	CN(C)C=O	InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
HMDB53961	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43,46,60H,4-6,8,11,13-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-
HMDB53960	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,60H,4-6,8,11,13-15,22-24,31-33,40-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB55028	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,35,37,42,45,51,54,65H,4-16,18-19,21-24,27,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,28-25-,29-26-,37-35-,45-42-,54-51-
HMDB35309	6alpha-Carissanol	CC1=C2C(O)C(CCC2(C)CCC1=O)C(C)(C)O	InChI=1S/C15H24O3/c1-9-11(16)6-8-15(4)7-5-10(14(2,3)18)13(17)12(9)15/h10,13,17-18H,5-8H2,1-4H3
HMDB35308	Yellow prussiate of soda	O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N	InChI=1S/6CN.Fe.4Na.10H2O/c6*1-2;;;;;;;;;;;;;;;/h;;;;;;;;;;;10*1H2/q;;;;;;-4;4*+1;;;;;;;;;;
HMDB38159	Retrocalamin	COC(=O)CC(O)C1(C)CC(=O)C(O)C2(C)C1CCC1(C)C(OC(=O)C3OC213)C1=COC=C1	InChI=1S/C24H30O9/c1-21(15(26)9-16(27)30-4)10-13(25)17(28)23(3)14(21)5-7-22(2)18(12-6-8-31-11-12)32-20(29)19-24(22,23)33-19/h6,8,11,14-15,17-19,26,28H,5,7,9-10H2,1-4H3
HMDB38158	Jangomolide	CC1(C)OC2OC(=O)C=CC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1	InChI=1S/C26H28O8/c1-22(2)15-11-16(27)24(4)14(25(15)9-6-17(28)31-21(25)34-22)5-8-23(3)18(13-7-10-30-12-13)32-20(29)19-26(23,24)33-19/h6-7,9-10,12,14-15,18-19,21H,5,8,11H2,1-4H3
HMDB35303	3-Methoxy-4,5-methylenedioxycinnamaldehyde	COC1=CC(\C=C\C=O)=CC2=C1OCO2	InChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2+
HMDB38154	3,11,12-Trihydroxy-1(10)-spirovetiven-2-one	CC1C(O)C(=O)C=C(C)C11CCC(C1)C(C)(O)CO	InChI=1S/C15H24O4/c1-9-6-12(17)13(18)10(2)15(9)5-4-11(7-15)14(3,19)8-16/h6,10-11,13,16,18-19H,4-5,7-8H2,1-3H3
HMDB35301	4alpha,5alpha-Epoxy-11-eudesmen-3a-ol	CC(=C)C1CCC2(C)CCC(O)C3(C)OC23C1	InChI=1S/C15H24O2/c1-10(2)11-5-7-13(3)8-6-12(16)14(4)15(13,9-11)17-14/h11-12,16H,1,5-9H2,2-4H3
HMDB35300	3-(4-Hydroxyphenyl)-2-propenoic acid, 9CI; (E)-form, Octadecyl ester	CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-27(29)23-20-25-18-21-26(28)22-19-25/h18-23,28H,2-17,24H2,1H3/b23-20+
HMDB35307	Quercuslactone a	CCCCC1OC(=O)CC1C	InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
HMDB35306	Epishyobunone	CC(C)C1CCC(C)(C=C)C(C(C)=C)C1=O	InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3
HMDB38153	1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone	CC(C)C(O)C(O)CC(C)CCC(=O)C1=COC=C1	InChI=1S/C15H24O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,14-15,17-18H,4-5,8H2,1-3H3
HMDB35304	Ganoderic acid C2	CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)
HMDB02281	4a-Hydroxytetrahydrobiopterin	CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2(O)N1	InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)
HMDB02282	2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	[H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC=C(NC(C)=O)[C@H]1O	InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-8(3-17)13(9(6)19)25-14-12(22)11(21)10(20)7(2-16)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9-,10+,11+,12-,13-,14+/m1/s1
HMDB02283	14R,15S-EpETrE	CCCCC[C@@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t18-,19+/m0/s1
HMDB02284	N-Acetylcadaverine	CC(=O)NCCCCCN	InChI=1S/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)
HMDB02285	2-Indolecarboxylic acid	OC(=O)C1=CC2=C(N1)C=CC=C2	InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
HMDB02287	Homocysteine thiolactone	NC1CCSC1=O	InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
HMDB02288	5-cis-8-cis-Tetradecadienoyl-CoA	CCCCC\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b9-8-,12-11-
HMDB02289	2-trans,4-trans-Octadienoyl-CoA	CCC\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N	InChI=1S/C29H46N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h6-9,16-18,22-24,28,39-40H,4-5,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b7-6+,9-8+/t18-,22-,23-,24?,28-/m1/s1
HMDB36643	Matricin	CC1C2C(OC1=O)C1C(C=CC1(C)O)=C(C)CC2OC(C)=O	InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3
HMDB36642	Isointermedeol	CC(=C)C1CCC2(C)CCCC(C)(O)C2C1	InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3
HMDB36641	Artabsin	CC1C2CCC(C)(O)C3=CCC(C)=C3C2OC1=O	InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3
HMDB36640	Furanofukinin	COC1C2=C(CC3CCCC(C)C13C)OC=C2C	InChI=1S/C16H24O2/c1-10-9-18-13-8-12-7-5-6-11(2)16(12,3)15(17-4)14(10)13/h9,11-12,15H,5-8H2,1-4H3
HMDB36647	Isocurcumenol	CC1CCC2C(=C)CC3(O)OC12CC3=C(C)C	InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h11-12,16H,3,5-8H2,1-2,4H3
HMDB36646	Cedrelanol	[H][C@@]12C=C(C)CC[C@@]1([H])[C@@](C)(O)CC[C@H]2C(C)C	InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15-/m0/s1
HMDB36645	Globulol	CC1CCC2C1C1C(CCC2(C)O)C1(C)C	InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3
HMDB36644	beta-Bulnesene	CC1CCC2=C(C)CCC(CC12)=C(C)C	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12,15H,5-9H2,1-4H3
HMDB36649	Sinalbin B	CON1C2=C(CN=C(SC)S2)C2=CC=CC=C12	InChI=1S/C12H12N2OS2/c1-15-14-10-6-4-3-5-8(10)9-7-13-12(16-2)17-11(9)14/h3-6H,7H2,1-2H3
HMDB36648	7-Isopropyl-1,4-dimethylazulene	CC(C)C1=CC=C(C)C2=CC=C(C)C2=C1	InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
HMDB55700	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,34,40,43,57H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-56H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,43-40-
HMDB13974	4'-Hydroxydiclofenac	OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=C(O)C=C1Cl	InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)
HMDB58765	CL(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C84H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h25-32,37-39,41-43,78-80,85H,5-24,33-36,40,44-77H2,1-4H3,(H,90,91)(H,92,93)/b29-25-,30-26-,31-27-,32-28-,41-37-,42-38-,43-39-/t78?,79-,80-/m1/s1
HMDB13976	3'-Hydroxydiclofenac	OC(=O)CC1=CC=CC=C1NC1=C(Cl)C(O)=CC=C1Cl	InChI=1S/C14H11Cl2NO3/c15-9-5-6-11(18)13(16)14(9)17-10-4-2-1-3-8(10)7-12(19)20/h1-6,17-18H,7H2,(H,19,20)
HMDB58767	CL(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-20,22-24,29,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB13970	Dehydroxyzyleuton	CC(NC(N)=O)C1=CC2=CC=CC=C2S1	InChI=1S/C11H12N2OS/c1-7(13-11(12)14)10-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H3,12,13,14)
HMDB58761	CL(18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,47,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1
HMDB13972	N-Dealkylatedtolterodine	CC(C)NCC[C@@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1	InChI=1S/C19H25NO/c1-14(2)20-12-11-17(16-7-5-4-6-8-16)18-13-15(3)9-10-19(18)21/h4-10,13-14,17,20-21H,11-12H2,1-3H3/t17-/m0/s1
HMDB13973	5-Hydroxymethyltolterodine	CC(C)N(CC[C@@H](C1=CC=CC=C1)C1=C(O)C=CC(CO)=C1)C(C)C	InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m0/s1
HMDB58768	CL(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,50,54,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-49,51-53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-/t81?,82-,83-/m1/s1
HMDB58769	CL(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,29,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB44158	TG(16:0/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,54H,4-7,9-10,12-16,18-19,21-24,28,30-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-
HMDB44159	TG(16:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,35,38,54H,4-7,9-10,12-16,18-19,21-24,28,30-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,38-35-
HMDB44156	TG(16:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,58H,4-15,17-18,20-24,29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-
HMDB44157	TG(16:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,30,32,36,39,45,48,58H,4-15,17-18,20-24,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,27-25-,28-26-,32-30-,39-36-,48-45-
HMDB44155	TG(16:0/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,58H,4-15,17-18,20-24,29-57H2,1-3H3/b19-16-,27-25-,28-26-
HMDB44152	TG(16:0/20:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,55H,4-13,15-16,18-22,24,28-54H2,1-3H3/b17-14-,26-23-,27-25-
HMDB44153	TG(16:0/20:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31,34,56H,4-15,17-18,20-24,29-30,32-33,35-55H2,1-3H3/b19-16-,27-25-,28-26-,34-31-
HMDB44150	TG(16:0/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30,55H,4-19,21-22,24,26,29,31-54H2,1-3H3/b23-20-,27-25-,30-28-
HMDB44151	TG(16:0/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29,35,38,54H,4-16,18-19,21-24,28,30-34,36-37,39-53H2,1-3H3/b20-17-,27-25-,29-26-,38-35-
HMDB32940	Agavoside F	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C68H110O35/c1-22-10-13-68(89-20-22)23(2)38-33(103-68)15-31-29-9-8-27-14-28(11-12-66(27,6)30(29)16-37(73)67(31,38)7)93-62-50(85)45(80)54(35(18-70)95-62)98-63-51(86)46(81)55(36(19-71)96-63)99-65-58(102-59-47(82)41(76)32(72)21-88-59)56(42(77)34(17-69)94-65)100-64-57(101-61-49(84)44(79)40(75)25(4)91-61)52(87)53(26(5)92-64)97-60-48(83)43(78)39(74)24(3)90-60/h22-36,38-65,69-72,74-87H,8-21H2,1-7H3
HMDB32941	Momorcharaside B	CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C	InChI=1S/C36H62O10/c1-18(25(38)28(41)30(43)33(4,5)44)19-13-14-36(8)23-11-9-20-21(34(23,6)15-16-35(19,36)7)10-12-24(32(20,2)3)46-31-29(42)27(40)26(39)22(17-37)45-31/h9,18-19,21-31,37-44H,10-17H2,1-8H3
HMDB32942	Momorcharaside A	CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C	InChI=1S/C42H72O15/c1-19(27(44)32(49)35(52)39(4,5)53)20-13-14-42(8)25-11-9-21-22(40(25,6)15-16-41(20,42)7)10-12-26(38(21,2)3)57-37-34(51)31(48)29(46)24(56-37)18-54-36-33(50)30(47)28(45)23(17-43)55-36/h9,19-20,22-37,43-53H,10-18H2,1-8H3
HMDB32943	Diazinon	CCOP(=S)(OCC)OC1=CC(C)=NC(=N1)C(C)C	InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
HMDB32944	Coumarin-4-carboxylic acid	OC(=O)C1=CC(=O)OC2=C1C=CC=C2	InChI=1S/C10H6O4/c11-9-5-7(10(12)13)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)
HMDB32945	1-Phenyl-2,4-pentadiyn-1-one	O=C(C#CC#C)C1=CC=CC=C1	InChI=1S/C11H6O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8H
HMDB32946	3,5-Diethyl-2-methylpyrazine	CCC1=NC(CC)=C(C)N=C1	InChI=1S/C9H14N2/c1-4-8-6-10-7(3)9(5-2)11-8/h6H,4-5H2,1-3H3
HMDB32947	Di-2-furanylmethane	C(C1=CC=CO1)C1=CC=CO1	InChI=1S/C9H8O2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2
HMDB32948	5-Phenyl-1,3-pentadiyne	C#CC#CCC1=CC=CC=C1	InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,8H2
HMDB32949	9-Oxoasimicinone	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCC(=O)CCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C37H64O8/c1-3-4-5-6-7-8-9-12-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-13-10-11-16-29(39)17-14-15-18-30-26-28(25-27(2)38)37(42)43-30/h28,30-36,40-41H,3-26H2,1-2H3
HMDB52129	TG(24:1(15Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,40,43,66H,4-17,19-20,22-24,31-39,41-42,44-65H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,43-40-
HMDB09148	PE(18:3(6Z,9Z,12Z)/P-18:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,33,36,40H,3-11,13,15-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB09149	PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,33,36,40H,3-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1
HMDB09142	PE(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,43H,3-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-/m1/s1
HMDB09143	PE(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,43H,3-4,6,8-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1
HMDB09140	PE(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,27,29,43H,3-10,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-,29-27-/t43-/m1/s1
HMDB09141	PE(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,43H,3-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1
HMDB09146	PE(18:3(6Z,9Z,12Z)/24:1(15Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,45H,3-11,13,15-16,20-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-,31-29-/t45-/m1/s1
HMDB09147	PE(18:3(6Z,9Z,12Z)/P-16:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,31,34,38H,3-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,24-22-,34-31-/t38-/m1/s1
HMDB09144	PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,43H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t43-/m1/s1
HMDB09145	PE(18:3(6Z,9Z,12Z)/24:0)	[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,29,31,45H,3-11,13,15-17,19-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-,31-29-/t45-/m1/s1
HMDB37279	2,10-Bisaboladiene-1,4-diol	CC(CCC=C(C)C)C1CC(O)C(C)=CC1O	InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3
HMDB37278	Isoeugenol phenylacetate	COC1=C(OC(=O)CC2=CC=CC=C2)C=CC(\C=C/C)=C1	InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-
HMDB37275	2-Tridecenal	CCCCCCCCCC\C=C\C=O	InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+
HMDB37274	Maltol propionate	CCC(=O)OC1=C(C)OC=CC1=O	InChI=1S/C9H10O4/c1-3-8(11)13-9-6(2)12-5-4-7(9)10/h4-5H,3H2,1-2H3
HMDB37277	Isoeugenol formate	COC1=C(OC=O)C=CC(\C=C/C)=C1	InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3-8H,1-2H3/b4-3-
HMDB37276	Octahydro-2H-1-benzopyran-2-one	O=C1CCC2CCCCC2O1	InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2
HMDB37271	2,6-Dimethoxy-4-(1-propenyl)phenol	COC1=CC(\C=C\C)=CC(OC)=C1O	InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4-7,12H,1-3H3/b5-4+
HMDB37270	Fenpropimorph	CC(CN1CC(C)OC(C)C1)CC1=CC=C(C=C1)C(C)(C)C	InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3
HMDB37273	beta-Caryophyllene alcohol acetate	CC(=O)OC12CCCC(C)(C1)CCC1C2CC1(C)C	InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3
HMDB37272	2-Ethoxy-1-methyl-4-(1-methylethyl)benzene	CCOC1=CC(=CC=C1C)C(C)C	InChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h6-9H,5H2,1-4H3
HMDB45529	TG(20:0/16:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB55022	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,42,45,51,54,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,54-51-
HMDB14748	Metaraminol	C[C@H](N)[C@H](O)C1=CC(O)=CC=C1	InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
HMDB14749	Butorphanol	[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1	InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
HMDB14746	Chloroquine	CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1	InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
HMDB14747	Ethionamide	CCC1=NC=CC(=C1)C(N)=S	InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
HMDB14744	Cyclothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2	InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
HMDB14745	Nafcillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OCC)C=CC2=CC=CC=C12)C(O)=O	InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
HMDB14742	Cisapride	CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC	InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1
HMDB14743	Sulindac	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O	InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
HMDB14740	Ivermectin	CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](C)\C=C\C=C2/CO[C@@H]3[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]4C[C@@H](C\C=C1/C)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C4)[C@]23O.CC[C@@H](C)[C@H]1O[C@@]2(CC[C@@H]1C)O[C@@H]1C\C=C(C)\[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC)C4)[C@@H](OC)C3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@@H](C1)C2)[C@]34O	InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26+,28+,30+,31+,33-,34+,35+,36+,37+,38+,39+,40-,41+,42+,43-,44+,45-,47-,48-;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m10/s1
HMDB55023	TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,36,38,42,44-45,47,51,54,64H,4-8,10-11,13-16,19,22-24,30-33,35,37,39-41,43,46,48-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-,54-51-
HMDB37899	5-Ethyl-2-hexyl-4-methyloxazole	CCCCCCC1=NC(C)=C(CC)O1	InChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-10(3)11(5-2)14-12/h4-9H2,1-3H3
HMDB37898	2,5-Dibutyl-4-methyloxazole	CCCCC1=NC(C)=C(CCCC)O1	InChI=1S/C12H21NO/c1-4-6-8-11-10(3)13-12(14-11)9-7-5-2/h4-9H2,1-3H3
HMDB37891	2-Butyl-4,5-diethyloxazole	CCCCC1=NC(CC)=C(CC)O1	InChI=1S/C11H19NO/c1-4-7-8-11-12-9(5-2)10(6-3)13-11/h4-8H2,1-3H3
HMDB37890	4-Hexyl-2,5-dimethyloxazole	CCCCCCC1=C(C)OC(C)=N1	InChI=1S/C11H19NO/c1-4-5-6-7-8-11-9(2)13-10(3)12-11/h4-8H2,1-3H3
HMDB37893	Ganodermic acid TQ	CC(CC\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C	InChI=1S/C32H46O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-25,27H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+
HMDB37892	Nomilinic acid 17-glucoside	CC(=O)OC(CC(O)=O)C1(C)C(CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)C1=COC=C1)C21OC1C(O)=O)C(C)(C)O	InChI=1S/C34H48O16/c1-15(36)47-21(12-22(38)39)32(5)18-7-9-31(4,34(27(50-34)28(43)44)33(18,6)20(37)11-19(32)30(2,3)45)26(16-8-10-46-14-16)49-29-25(42)24(41)23(40)17(13-35)48-29/h8,10,14,17-19,21,23-27,29,35,40-42,45H,7,9,11-13H2,1-6H3,(H,38,39)(H,43,44)
HMDB37895	2-Hexyl-4,5-dimethyloxazole	CCCCCCC1=NC(C)=C(C)O1	InChI=1S/C11H19NO/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3
HMDB37894	2-Butyl-5-methyl-4-propyloxazole	CCCCC1=NC(CCC)=C(C)O1	InChI=1S/C11H19NO/c1-4-6-8-11-12-10(7-5-2)9(3)13-11/h4-8H2,1-3H3
HMDB37897	4-Ethyl-5-methyl-2-pentyloxazol	CCCCCC1=NC(CC)=C(C)O1	InChI=1S/C11H19NO/c1-4-6-7-8-11-12-10(5-2)9(3)13-11/h4-8H2,1-3H3
HMDB37896	5-Butyl-4-methyl-2-propyloxazole	CCCCC1=C(C)N=C(CCC)O1	InChI=1S/C11H19NO/c1-4-6-8-10-9(3)12-11(13-10)7-5-2/h4-8H2,1-3H3
HMDB38979	4,5-Epoxy-p-menth-1-en-3-ol; (3b,4b,5b)-form, 3-O-b-D-Glucopyranoside	CC(C)C12OC1CC(C)=CC2OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H26O7/c1-7(2)16-10(4-8(3)5-11(16)23-16)22-15-14(20)13(19)12(18)9(6-17)21-15/h4,7,9-15,17-20H,5-6H2,1-3H3
HMDB38978	(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol	CC(C)C1=CC(O)C(C)(O)CC1O	InChI=1S/C10H18O3/c1-6(2)7-4-9(12)10(3,13)5-8(7)11/h4,6,8-9,11-13H,5H2,1-3H3
HMDB38973	2,5-Dihydro-2,4,5-trimethylthiazole	CC1SC(C)C(C)=N1	InChI=1S/C6H11NS/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
HMDB38972	(E)-2-Butyl-2-octenal	CCCCC\C=C(\CCCC)C=O	InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10-
HMDB38971	Diacetylfusarochromanone	CC(=O)NC(COC(C)=O)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N	InChI=1S/C19H24N2O6/c1-10(22)21-12(9-26-11(2)23)7-14(24)13-5-6-16-17(18(13)20)15(25)8-19(3,4)27-16/h5-6,12H,7-9,20H2,1-4H3,(H,21,22)
HMDB38970	Formylfusarochromanone	CC1(C)CC(=O)C2=C(N)C(=CC=C2O1)C(=O)CC(CO)NC=O	InChI=1S/C16H20N2O5/c1-16(2)6-12(22)14-13(23-16)4-3-10(15(14)17)11(21)5-9(7-19)18-8-20/h3-4,8-9,19H,5-7,17H2,1-2H3,(H,18,20)
HMDB38977	(3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C45CC(O)CCC4(C)C3(CCC12C)OO5	InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,24,29-30H,9-14,16H2,1-6H3/b8-7+
HMDB38976	Camellioside A	CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O	InChI=1S/C53H84O24/c1-48(2)14-15-53(69)22(16-48)21-8-9-27-50(5)12-11-29(49(3,4)26(50)10-13-51(27,6)52(21,7)17-28(53)57)73-47-42(77-45-37(65)34(62)31(59)24(19-55)71-45)39(38(66)40(75-47)43(67)68)74-46-41(35(63)32(60)25(20-56)72-46)76-44-36(64)33(61)30(58)23(18-54)70-44/h8,22-27,29-42,44-47,54-56,58-66,69H,9-20H2,1-7H3,(H,67,68)
HMDB38975	Camellioside B	CC(=O)OC1C(O)C(O)C(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(O)C(=O)CC54C)C3(C)C)OC(C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)OC1CO	InChI=1S/C55H86O25/c1-22(59)72-40-27(21-58)75-47(38(67)36(40)65)80-44-41(77-48-43(35(64)33(62)26(20-57)74-48)79-46-37(66)34(63)32(61)25(19-56)73-46)39(68)42(45(69)70)78-49(44)76-31-12-13-52(6)28(51(31,4)5)11-14-53(7)29(52)10-9-23-24-17-50(2,3)15-16-55(24,71)30(60)18-54(23,53)8/h9,24-29,31-44,46-49,56-58,61-68,71H,10-21H2,1-8H3,(H,69,70)
HMDB38974	3,3-Dimethyl-1,2-dithiolane	CC1(C)CCSS1	InChI=1S/C5H10S2/c1-5(2)3-4-6-7-5/h3-4H2,1-2H3
HMDB42240	TG(14:0/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB42241	TG(14:0/24:0/14:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h52H,4-51H2,1-3H3
HMDB42242	TG(14:0/24:0/15:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB42243	TG(14:0/24:0/16:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
HMDB42244	TG(14:0/24:0/18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3
HMDB42245	TG(14:0/24:0/20:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB42246	TG(14:0/24:0/22:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB42247	TG(14:0/24:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB42248	TG(14:0/24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h14,17,52H,4-13,15-16,18-51H2,1-3H3/b17-14-
HMDB42249	TG(14:0/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB13211	Alpha-Ketooctanoic acid	CCCCCCC(=O)C(O)=O	InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
HMDB13213	Alpha-Linoleoylcholine	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC[N+](C)(C)C	InChI=1S/C23H44NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4/h9-10,12-13H,5-8,11,14-22H2,1-4H3/q+1/b10-9-,13-12-
HMDB13219	Behenoylglycine	CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O	InChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h2-22H2,1H3,(H,25,26)(H,27,28)
HMDB29881	D-Glucaric acid	OC(C(O)C(O)C(O)=O)C(O)C(O)=O	InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)
HMDB37771	Howiicin F	CCCCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-14-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB29883	Sambubiose	OCC(O)C(O)C(O)C(OC1OCC(O)C(O)C1O)C=O.OCC(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/3C11H20O10/c12-1-4-6(15)7(16)9(10(18)20-4)21-11-8(17)5(14)3(13)2-19-11;12-1-3(13)8-7(17)9(10(18)20-8)21-11-6(16)5(15)4(14)2-19-11;12-1-4(14)7(16)9(18)6(2-13)21-11-10(19)8(17)5(15)3-20-11/h2*3-18H,1-2H2;2,4-12,14-19H,1,3H2
HMDB37773	8-Angeloylegelolide	C\C=C(/C)C(=O)OC1CC(C)(O)C2=COC(C)=C2C2OC(=O)C(C)C12	InChI=1S/C19H24O6/c1-6-9(2)17(20)24-13-7-19(5,22)12-8-23-11(4)15(12)16-14(13)10(3)18(21)25-16/h6,8,10,13-14,16,22H,7H2,1-5H3/b9-6+
HMDB29885	Sorbitan laurate	CCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O	InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3
HMDB29884	2-C-Methyl-1,4-erythrono-D-lactone	CC1(O)C(O)COC1=O	InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3
HMDB29887	Sorbitan palmitate	CCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O	InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3
HMDB29886	Sorbitan oleate	CCCCCCCC\C=C\CCCCCCCC(=O)OCC(O)C1OCC(O)C1O	InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9+
HMDB42059	vesnarinone	COC1=C(OC)C=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C2NC(=O)CCC2=C1	InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
HMDB29889	Sorbitan trioleate	CCCCCCCC\C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC\C=C\CCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+
HMDB29888	Sorbitan stearate	CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O	InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3
HMDB42058	velnacrine	OC1CCCC2=C1C(=N)C1=CC=CC=C1N2	InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)
HMDB45523	TG(20:0/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,36,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35,37-52H2,1-3H3/b11-8-,20-17-,29-26-,36-34-
HMDB39365	Isolimonic acid; 17-O-b-D-Glucopyranoside	CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)C2=COC=C2)C11OC1C(O)=O	InChI=1S/C32H44O15/c1-28(2)17-9-18(34)30(4)16(31(17,13-44-28)19(35)10-20(36)37)5-7-29(3,32(30)25(47-32)26(41)42)24(14-6-8-43-12-14)46-27-23(40)22(39)21(38)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,38-40H,5,7,9-11,13H2,1-4H3,(H,36,37)(H,41,42)
HMDB39364	Isolimonic acid; 16-&gt;17-Lactone	CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1	InChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15,12-33-22)17(28)10-18(29)30)5-7-23(3)19(13-6-8-32-11-13)34-21(31)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28H,5,7,9-10,12H2,1-4H3,(H,29,30)
HMDB39367	1,2'-Di-O-galloylhamamelofuranose	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C20H20O14/c21-5-13-16(28)20(31,6-32-17(29)7-1-9(22)14(26)10(23)2-7)19(33-13)34-18(30)8-3-11(24)15(27)12(25)4-8/h1-4,13,16,19,21-28,31H,5-6H2
HMDB39366	5-O-Galloylhamamelofuranose	OCC1(O)C(O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O	InChI=1S/C13H16O10/c14-4-13(21)10(18)8(23-12(13)20)3-22-11(19)5-1-6(15)9(17)7(16)2-5/h1-2,8,10,12,14-18,20-21H,3-4H2
HMDB39361	()-2,4,6-Triphenyl-1-hexene	C=C(CC(CCC1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C24H24/c1-20(22-13-7-3-8-14-22)19-24(23-15-9-4-10-16-23)18-17-21-11-5-2-6-12-21/h2-16,24H,1,17-19H2
HMDB39360	()-Flufenprox	CCOC1=CC=C(C=C1)C(COCC1=CC(OC2=CC=C(Cl)C=C2)=CC=C1)C(F)(F)F	InChI=1S/C24H22ClF3O3/c1-2-30-20-10-6-18(7-11-20)23(24(26,27)28)16-29-15-17-4-3-5-22(14-17)31-21-12-8-19(25)9-13-21/h3-14,23H,2,15-16H2,1H3
HMDB39363	Quercetin 3-(3R-glucosylrutinoside)	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3
HMDB39362	3,7,25-Trihydroxycucurbita-5,23-dien-19-al; (3b,7b,23E)-form, 25-Me ether	COC(C)(C)\C=C\CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O	InChI=1S/C31H50O4/c1-20(10-9-14-27(2,3)35-8)21-13-15-30(7)26-24(33)18-23-22(11-12-25(34)28(23,4)5)31(26,19-32)17-16-29(21,30)6/h9,14,18-22,24-26,33-34H,10-13,15-17H2,1-8H3/b14-9+
HMDB39369	Kurigalin	OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(26(41)44-18,45-25(40)11-5-16(32)21(36)17(33)6-11)8-43-24(39)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-37,41H,7-8H2
HMDB39368	1,2',5-Tri-O-galloylhamamelofuranose	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(41,8-43-24(39)10-3-14(30)20(35)15(31)4-10)26(44-18)45-25(40)11-5-16(32)21(36)17(33)6-11/h1-6,18,22,26,28-37,41H,7-8H2
HMDB28949	Lysyl-Glutamine	NCCCCC(NC(=O)C(N)CCC(N)=O)C(O)=O	InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)
HMDB28948	Lysyl-Cysteine	NCCCCC(NC(=O)C(N)CS)C(O)=O	InChI=1S/C9H19N3O3S/c10-4-2-1-3-7(9(14)15)12-8(13)6(11)5-16/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)
HMDB28947	Lysyl-Aspartate	NCCCCC(NC(=O)C(N)CC(O)=O)C(O)=O	InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)
HMDB28946	Lysyl-Asparagine	NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O	InChI=1S/C10H20N4O4/c11-4-2-1-3-7(10(17)18)14-9(16)6(12)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)
HMDB28945	Lysyl-Arginine	NCCCCC(NC(=O)C(N)CCCNC(N)=N)C(O)=O	InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)
HMDB28944	Lysyl-Alanine	CC(N)C(=O)NC(CCCCN)C(O)=O	InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)
HMDB28943	Leucyl-Gamma-glutamate	CC(C)CC(NC(=O)C(N)CCC(O)=N)C(O)=O	InChI=1S/C11H21N3O4/c1-6(2)5-8(11(17)18)14-10(16)7(12)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)
HMDB28942	Leucyl-Valine	CC(C)CC(NC(=O)C(N)C(C)C)C(O)=O	InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
HMDB28941	Leucyl-Tyrosine	CC(C)CC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C15H22N2O4/c1-9(2)7-13(15(20)21)17-14(19)12(16)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)
HMDB28940	Leucyl-Tryptophan	CC(C)CC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C17H23N3O3/c1-10(2)7-15(17(22)23)20-16(21)13(18)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)
HMDB59158	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65,67,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,66,68-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-/t87?,88-,89-/m1/s1
HMDB59159	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,44-46,48-51,55-58,60-63,67,70,74,89-91,96H,5-8,11-12,15-20,29-32,41-43,47,52-54,59,64-66,68-69,71-73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,74-70-/t89?,90-,91-/m1/s1
HMDB59154	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,47-49,53,55,58-60,62-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-/t83?,84-,85-/m1/s1
HMDB59155	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63,85-87,92H,5-8,11-12,15-20,24,29-31,36,40-41,44,47,49-50,53,55,57,60-62,64-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-/t85?,86-,87-/m1/s1
HMDB59156	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-48,51-52,54,56,58-59,63,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,49-50,53,55,57,60-62,64-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,51-48-,56-52-,58-54-,63-59-/t85?,86-,87-/m1/s1
HMDB59157	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-50-53-57-61-65-69-73-77-90(95)103-82-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)84-106-110(98,99)104-80-86(93)81-105-111(100,101)107-85-88(83-102-89(94)76-72-68-64-60-56-52-49-45-39-35-31-27-23-19-15-11-7-3)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-49,52-53,55,57,59-60,64,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,50-51,54,56,58,61-63,65-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,52-49-,57-53-,59-55-,64-60-/t86?,87-,88-/m1/s1
HMDB59150	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-28,33-40,44-46,48-51,55-58,60-63,67-68,72,89-91,96H,5-9,12-13,16-20,29-32,41-43,47,52-54,59,64-66,69-71,73-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-/t89?,90-,91-/m1/s1
HMDB59151	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-28,33-40,44-46,48-51,55-58,60-63,67-68,70,72,74,89-91,96H,5-9,12-13,16-20,29-32,41-43,47,52-54,59,64-66,69,71,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB59152	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,47-49,53,55,58-60,62-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-/t83?,84-,85-/m1/s1
HMDB59153	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,64-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-/t85?,86-,87-/m1/s1
HMDB11103	1,7-Dimethyluric acid	CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2	InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)
HMDB49292	TG(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,31-32,34,40,43,56H,4-15,17-18,21-22,24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,34-32-,43-40-
HMDB11107	7-Methyluric acid	CN1C(=O)NC2=C1C(=O)NC(=O)N2	InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)
HMDB11106	5-Amino-6-ribitylamino uracil	NC1=C(NCC(O)C(O)C(O)CO)NC(=O)NC1=O	InChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)
HMDB11105	5-Acetylamino-6-formylamino-3-methyluracil	CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O	InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)
HMDB11104	3-Phosphoadenylylselenate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1	InChI=1S/C10H15N5O13P2Se/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
HMDB11108	17-Hydroxylinolenic acid	CC(O)\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O	InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-
HMDB49290	TG(18:1(11Z)/18:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,27,30,55H,4-12,14-15,17-19,21,24,26,28-29,31-54H2,1-3H3/b16-13-,23-20-,25-22-,30-27-
HMDB48729	TG(16:1(9Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,33,39,42,58H,4-16,18-19,22-23,28-32,34-38,40-41,43-57H2,1-3H3/b20-17-,24-21-,27-25-,33-26-,42-39-
HMDB47629	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,44,47,53,56,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b12-9-,21-18-,30-27-,47-44-,56-53-
HMDB49291	TG(18:1(11Z)/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,31-32,34,56H,4-15,17-18,21-22,24,26,29-30,33,35-55H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,34-32-
HMDB47628	TG(24:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-62H2,1-3H3/b11-8-,20-17-,29-26-,41-38-
HMDB49296	TG(18:1(11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,31-53H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,30-27-
HMDB49297	TG(18:1(11Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30,34,37,54H,4-6,8-9,11-15,17-18,21-22,24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,30-27-,37-34-
HMDB49294	TG(18:1(11Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,36,39,58H,4-15,17-18,21-22,24,26,29,32,34-35,37-38,40-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,33-27-,39-36-
HMDB49295	TG(18:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,36,39,45,48,58H,4-15,17-18,21-22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-
HMDB47620	TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-
HMDB47625	TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,38,40-41,43,47,50,64H,4-7,10,13-16,19,22-25,28,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB47624	TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,38,40-41,43,64H,4-7,10,13-16,19,22-25,28,31-37,39,42,44-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,43-40-
HMDB47626	TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-
HMDB58209	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-39,42-43,45-46,48,52-54,57-58,60,64-65,69,85-87,92H,5-9,11-13,15-20,24,29-31,36,40-41,44,47,49-51,55-56,59,61-63,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-,69-65-/t85?,86-,87-/m1/s1
HMDB58208	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,42-43,45-46,48,52-54,57-58,60,64-66,69-70,85-87,92H,5-20,24,29-31,36,40-41,44,47,49-51,55-56,59,61-63,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-43-,52-48-,57-53-,58-54-,64-60-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB58207	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,41,44,46-47,50-52,56,58-59,62-64,68,83-85,90H,5-20,24,29-31,36,40,42-43,45,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB58206	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,40,42,44-45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,28-30,32,35,39,41,43,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-40-,44-36-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB58205	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB58204	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-28,31-34,37-39,42-45,47,52-53,56-57,64,68,84-86,91H,5-9,11-13,15-20,23-24,29-30,35-36,40-41,46,48-51,54-55,58-63,65-67,69-83H2,1-4H3,(H,96,97)(H,98,99)/b14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-,68-64-/t84?,85-,86-/m1/s1
HMDB58203	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-39,42-45,47,52-53,56-57,64-65,68-69,84-86,91H,5-20,23-24,29-30,35-36,40-41,46,48-51,54-55,58-63,66-67,70-83H2,1-4H3,(H,96,97)(H,98,99)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-,68-64-,69-65-/t84?,85-,86-/m1/s1
HMDB29864	2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline	CN1C(N)=NC2=C1C=CC1=C2N=C(C)C=N1	InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)
HMDB58201	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,40-41,43-44,49,53,61,65,80-82,87H,5-20,22-24,28-29,32,34-35,39,42,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB58200	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-38,40-41,44,49,53,61,65,80-82,87H,5-20,22-24,29,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,31-27-,32-28-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB10272	CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,23-25,27-28,33-38,41-44,46,48,54,56,58,60,79-81,86H,5-20,22,26,29-32,39-40,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB10273	CL(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-28,33-38,41-44,46,48,54,58,79-81,86H,5-20,29-32,39-40,45,47,49-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,58-54-/t79?,80-,81-/m1/s1
HMDB10270	CL(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,23-25,27-28,33-38,41-43,46,54,58,79-81,86H,5-20,22,26,29-32,39-40,44-45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,58-54-/t79?,80-,81-/m1/s1
HMDB10271	CL(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-28,33-38,41-43,46,54,58,79-81,86H,5-20,29-32,39-40,44-45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,58-54-/t79?,80-,81-/m1/s1
HMDB10276	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-23,25-27,33-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,24,28-32,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB10277	CL(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0)	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-37,40-42,45-46,52,56,77-79,84H,5-9,11-13,15-20,24,28-32,38-39,43-44,47-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-/t77?,78-,79-/m1/s1
HMDB10274	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,29-30,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB10275	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-38,41-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,39-40,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB10278	CL(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-37,39-42,44,77-79,84H,5-8,10-12,14-20,29-32,38,43,45-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,39-34-,40-35-,41-36-,44-42-/t77?,78-,79-/m1/s1
HMDB10279	CL(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,23-25,27-28,33-38,41-43,46,79-81,86H,5-8,10-12,14-20,22,26,29-32,39-40,44-45,47-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-/t79?,80-,81-/m1/s1
HMDB48728	TG(16:1(9Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,34,59H,4-19,22,26,29-33,35-58H2,1-3H3/b23-20-,24-21-,27-25-,34-28-
HMDB45313	TG(18:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30-31,33,36,39,58H,4-6,8,11,13-15,17,20,22-24,26,29,32,34-35,37-38,40-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-
HMDB45312	TG(18:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,40,43,56H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,43-40-
HMDB45311	TG(18:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31-32,34,56H,4-6,8,11,13-15,17,20,22-24,26,29-30,33,35-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,34-32-
HMDB45310	TG(18:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,34,37,54H,4-6,8,11,13-15,17,20,22-24,26,29,31-33,35-36,38-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,37-34-
HMDB45317	TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,31,38,41,56H,4-8,10-11,13-17,19-20,22-26,28-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,31-27-,41-38-
HMDB45316	TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,54H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-53H2,1-3H3/b12-9-,21-18-,30-27-,39-36-
HMDB47778	TG(14:1(9Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h15,18-19,22,25-26,49H,4-14,16-17,20-21,23-24,27-48H2,1-3H3/b18-15-,22-19-,26-25-
HMDB45315	TG(18:0/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H106O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,55H,4-8,10-11,13-17,19-20,22-26,28-29,31-54H2,1-3H3/b12-9-,21-18-,30-27-
HMDB45314	TG(18:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30-31,33,36,39,45,48,58H,4-6,8,11,13-15,17,20,22-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,48-45-
HMDB52560	TG(18:2(9Z,12Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h19,22,27-28,30-31,56H,4-18,20-21,23-26,29,32-55H2,1-3H3/b22-19-,30-27-,31-28-
HMDB52561	TG(18:2(9Z,12Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h20-21,23-25,28-30,32-33,58H,4-19,22,26-27,31,34-57H2,1-3H3/b23-20-,24-21-,28-25-,32-29-,33-30-
HMDB52562	TG(18:2(9Z,12Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,31-32,37,40,57H,4-17,19,22,24,26,30,33-36,38-39,41-56H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,32-29-,40-37-
HMDB52563	TG(18:2(9Z,12Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14,17,21,23-26,28,30,33,58H,4-13,15-16,18-20,22,27,29,31-32,34-57H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,33-30-
HMDB52564	TG(18:2(9Z,12Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33-34,37,59H,4-15,17-18,20,22-23,27,31-32,35-36,38-58H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-30-,37-34-
HMDB52566	TG(18:2(9Z,12Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,35,61H,4-15,17-18,20,22-23,27,31-34,36-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-30-
HMDB52567	TG(18:2(9Z,12Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-35,39,42,61H,4-15,17-18,20,22-23,27,31,33,36-38,40-41,43-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,42-39-
HMDB52568	TG(18:2(9Z,12Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-35,39,42,48,51,61H,4-15,17-18,20,22-23,27,31,33,36-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,42-39-,51-48-
HMDB52569	TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-29,31-32,57H,4-8,10-11,13-17,19,22,24,26,30,33-56H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,32-29-
HMDB48331	TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-26,28-29,31,33,36-37,40,52H,4-6,8-9,11-14,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB43904	TG(16:0/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,54H,4-15,17-18,20-24,27,30-32,34,36-53H2,1-3H3/b19-16-,26-25-,29-28-,35-33-
HMDB43905	TG(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,41,44,54H,4-15,17-18,20-24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b19-16-,26-25-,29-28-,35-33-,44-41-
HMDB08238	PC(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,42H,6-7,9,11-13,18-19,24-25,30-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t42-/m1/s1
HMDB51224	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34-39,44-45,47-48,60H,4-6,8-9,11-15,17,20,22-24,31-33,40-43,46,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-,48-45-
HMDB43907	TG(16:0/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,31,34,50H,4-6,8-9,11-15,17-18,20-24,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,26-25-,34-31-
HMDB43900	TG(16:0/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h13,16,22,25,51H,4-12,14-15,17-21,23-24,26-50H2,1-3H3/b16-13-,25-22-
HMDB43901	TG(16:0/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,31,52H,4-15,17-18,20-24,27,29-30,32-51H2,1-3H3/b19-16-,26-25-,31-28-
HMDB51220	TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35-36,38-41,43,45,47-48,50,62H,4-15,17,20,22-24,31,33-34,37,42,44,46,49,51-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-
HMDB03125	Hydrogen peroxide	OO	InChI=1S/H2O2/c1-2/h1-2H
HMDB51143	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-29,31-33,35,37,40-41,44,57H,4-17,19,22,24,26,30,34,36,38-39,42-43,45-56H2,1-3H3/b21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,40-37-,44-41-
HMDB51142	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-30,32-34,36,42,45,58H,4-19,22,26-27,31,35,37-41,43-44,46-57H2,1-3H3/b23-20-,24-21-,28-25-,32-29-,33-30-,36-34-,45-42-
HMDB51141	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,37-38,40,46,49,63H,4-20,22-23,27,31-36,39,41-45,47-48,50-62H2,1-3H3/b24-21-,28-25-,29-26-,37-30-,40-38-,49-46-
HMDB51140	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,35-36,38,44,47,61H,4-20,22-23,27,31-34,37,39-43,45-46,48-60H2,1-3H3/b24-21-,28-25-,29-26-,35-30-,38-36-,47-44-
HMDB51147	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,35-36,38,44,47,61H,4-15,17-18,20,22-23,27,31-34,37,39-43,45-46,48-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,35-30-,38-36-,47-44-
HMDB51146	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33-37,42-43,45-46,59H,4-15,17-18,20,22-23,27,31-32,38-41,44,47-58H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,45-42-,46-43-
HMDB51145	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,33-37,43,46,59H,4-15,17-18,20,22-23,27,31-32,38-42,44-45,47-58H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-,46-43-
HMDB51144	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,30,33-34,36,42,45,58H,4-13,15-16,18-20,22,27,29,31-32,35,37-41,43-44,46-57H2,1-3H3/b17-14-,24-21-,26-23-,28-25-,33-30-,36-34-,45-42-
HMDB43908	TG(16:0/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,31,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,26-25-,31-28-
HMDB51149	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-36,38-39,42,44,47-48,51,61H,4-15,17-18,20,22-23,27,31,33,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,47-44-,51-48-
HMDB51148	TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-30,32,34-36,38-39,42,44,47,61H,4-15,17-18,20,22-23,27,31,33,37,40-41,43,45-46,48-60H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,47-44-
HMDB43909	TG(16:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28,31,36,39,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-25-,31-28-,39-36-
HMDB47639	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,36,38,41-42,45,47,50,62H,4-7,9-10,12-16,19,22-25,28,30-35,37,39-40,43-44,46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-27-,41-38-,45-42-,50-47-
HMDB43962	TG(16:0/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-53H2,1-3H3/b11-8-,20-17-,29-26-
HMDB41845	cadralazine	CCOC(O)=NNC1=NN=C(C=C1)N(CC)CC(C)O	InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)
HMDB41844	butoxyacetic acid	CCCCOCC(O)=O	InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)
HMDB41842	bufotenin	CN(C)CCC1=CNC2=C1C=C(O)C=C2	InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
HMDB41841	brushite	O.O.[Ca++].OP([O-])([O-])=O	InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2
HMDB47290	TG(24:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,46-43-
HMDB41849	carboxytolbutamide	CCCCN=C(O)NS(=O)(=O)C1=CC=C(C=C1)C(O)=O	InChI=1S/C12H16N2O5S/c1-2-3-8-13-12(17)14-20(18,19)10-6-4-9(5-7-10)11(15)16/h4-7H,2-3,8H2,1H3,(H,15,16)(H2,13,14,17)
HMDB12258	Methylarsonate	C[As](O)(O)=O	InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)
HMDB12259	Methylarsonite	C[As](O)O	InChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3
HMDB12252	Linoleoyl ethanolamide	CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCO	InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-
HMDB12253	Maltohexaose	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1
HMDB12250	L-Aspartyl-4-phosphate	NC(CC(=O)OP(O)(O)=O)C(O)=O	InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)
HMDB12251	L-Canaline	NOCC[C@H](N)C(O)=O	InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
HMDB12256	Mannosyl-diinositol-phosphorylceramide	CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(OP(O)(=O)OC3C(O)C(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC	InChI=1S/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(66)61(79)63-41(45(67)42(65)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-84-90(80,81)88-60-53(75)51(73)58(52(74)54(60)76)86-62-56(78)55(77)57(44(39-64)85-62)87-91(82,83)89-59-49(71)47(69)46(68)48(70)50(59)72/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83)
HMDB12257	Mannosyl-inositol-phosphorylceramide	CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC	InChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-72-76(70,71)75-54-50(66)48(64)53(49(65)51(54)67)74-56-52(68)47(63)46(62)44(39-58)73-56/h41-54,56,58-68H,3-40H2,1-2H3,(H,57,69)(H,70,71)
HMDB12254	Maltopentaose	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1
HMDB12255	Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C102H170N2O22P2/c1-70(2)35-20-36-71(3)37-21-38-72(4)39-22-40-73(5)41-23-42-74(6)43-24-44-75(7)45-25-46-76(8)47-26-48-77(9)49-27-50-78(10)51-28-52-79(11)53-29-54-80(12)55-30-56-81(13)57-31-58-82(14)59-32-60-83(15)61-33-62-84(16)63-34-64-85(17)65-66-119-127(115,116)126-128(117,118)125-101-92(104-87(19)109)95(112)98(90(69-107)122-101)123-100-91(103-86(18)108)94(111)99(89(68-106)121-100)124-102-97(114)96(113)93(110)88(67-105)120-102/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,85,88-102,105-107,110-114H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-69H2,1-19H3,(H,103,108)(H,104,109)(H,115,116)(H,117,118)/b71-37+,72-39+,73-41+,74-43+,75-45+,76-47+,77-49+,78-51+,79-53+,80-55+,81-57+,82-59+,83-61+,84-63+/t85?,88-,89-,90-,91-,92-,93-,94-,95-,96+,97+,98-,99-,100+,101+,102+/m1/s1
HMDB53778	TG(20:3n6/18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-32,34,56H,4-7,9-10,12-15,18,21-24,29,33,35-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-
HMDB53779	TG(20:3n6/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-32,34,36,39,56H,4-7,9-10,12-15,18,21-24,29,33,35,37-38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,34-32-,39-36-
HMDB53772	TG(20:3n6/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,34,57H,4-15,17-18,20,22-23,26-27,29-31,33,35-56H2,1-3H3/b19-16-,24-21-,28-25-,34-32-
HMDB53773	TG(20:3n6/18:1(9Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,58H,4-15,18,21-24,30-31,37-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-
HMDB53770	TG(20:3n6/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-
HMDB53771	TG(20:3n6/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,47,50,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,50-47-
HMDB53776	TG(20:3n6/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,37-38,41,60H,4-15,18,21-24,30,32,36,39-40,42-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-
HMDB53777	TG(20:3n6/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,37-38,41,47,50,60H,4-15,18,21-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-
HMDB53774	TG(20:3n6/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,41,44,58H,4-15,18,21-24,30-31,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-
HMDB53775	TG(20:3n6/18:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34-35,37,60H,4-15,18,21-24,30-33,36,38-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,37-35-
HMDB41599	Neocuscutoside C	[H]OC([H])([H])C1([H])OC([H])(OC([H])([H])C2([H])OC([H])(OC3=C([H])C4=C(OC([H])([H])O4)C([H])=C3C3([H])OC([H])([H])C4([H])C([H])(OC([H])([H])C34[H])C3=C([H])C4=C(OC([H])([H])O4)C([H])=C3[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]	InChI=1S/C32H38O17/c33-6-21-23(34)25(36)27(38)31(48-21)42-9-22-24(35)26(37)28(39)32(49-22)47-17-5-20-19(45-11-46-20)4-13(17)30-15-8-40-29(14(15)7-41-30)12-1-2-16-18(3-12)44-10-43-16/h1-5,14-15,21-39H,6-11H2
HMDB41598	3-Galloylgallocatechin	[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])[C@@]([H])(OC(=O)C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])C2([H])[H])=C1[H]	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1
HMDB43960	TG(16:0/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,36,39,58H,4-15,17-18,20-24,26,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,27-25-,32-30-,39-36-
HMDB41595	Malvidin 3-rutinoside	[H]OC1=C([H])C2=C(C([H])=C(OC3([H])OC([H])(C([H])([H])OC4([H])OC([H])(C([H])([H])[H])C([H])(O[H])C([H])(O[H])C4([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]2)C2=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C2[H])C(O[H])=C1[H]	InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(42-10)41-9-19-22(34)24(36)26(38)29(45-19)44-18-8-13-14(31)6-12(30)7-15(13)43-27(18)11-4-16(39-2)21(33)17(5-11)40-3/h4-8,10,19-20,22-26,28-29,32,34-38H,9H2,1-3H3,(H2-,30,31,33)/p+1
HMDB41594	Delphinidin 3-glucosylglucoside	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
HMDB41597	Glucodistylin	OCC1OC(OC2C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2
HMDB41596	Vitisidin A	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O)C(O)=O)=CC(O)=C2	InChI=1S/C20H14O9/c1-26-13-3-8(4-14(27-2)18(13)23)19-17(22)10-7-15(20(24)25)28-11-5-9(21)6-12(29-19)16(10)11/h3-7H,1-2H3,(H3-,21,22,23,24,25)/p+1
HMDB41591	Apigenin 4'-O-glucoside	OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C=C(O)C=C3O)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-7,16,18-24,26-28H,8H2
HMDB41590	Lutein; 5,6-Epoxide	O[C@@H]1C[C@@]2(C)O[C@@]2(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1
HMDB41593	4-Glucogallic acid	[H]OC(=O)C1=C([H])C(O[H])=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(O[H])=C1[H]	InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1
HMDB41592	Coumarinic acid	OC(=O)\C=C/C1=CC=CC=C1O	InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5-
HMDB50232	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-34,36,38-39,41,45,48,60H,4-7,9-10,12-15,18,21-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB50233	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-7,9-10,12-15,18,21-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB50230	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,32-34,36-37,42-43,45-46,58H,4-7,9-10,12-15,18,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB50231	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-29,34,36,39,45,48,60H,4-7,9-10,12-15,18,21-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB50236	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-34,36-37,43,46,58H,4-6,9,12-15,18,21-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB50237	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-34,36-37,42-43,45-46,58H,4-6,9,12-15,18,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB50234	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-32,35,41,44,56H,4-6,9,12-15,18,21-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,44-41-
HMDB50235	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-6,9,12-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-
HMDB59028	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,46-47,49-50,52,56-58,61-62,64,68,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45,48,51,53-55,59-60,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,50-47-,56-52-,61-57-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB50238	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,9,12-15,18,21-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-
HMDB50239	TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,9,12-15,18,21-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-
HMDB55650	TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,48,51,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43-47,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,51-48-
HMDB59029	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,40,42,45,47-48,52,55,59-60,64,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-44,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB54922	TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,46,49,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,49-46-
HMDB54923	TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31-34,37-38,40-41,45-46,48-49,59H,4-6,8-9,11-15,18,21-24,29-30,35-36,39,42-44,47,50-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,48-45-,49-46-
HMDB54920	TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,44,47,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40-43,45-46,48-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,47-44-
HMDB54921	TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39-40,43-44,47,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,41-42,45-46,48-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,43-40-,47-44-
HMDB54926	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37,43,46,56H,4-7,9-10,12-15,18,21-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,46-43-
HMDB54927	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35-37,39,43,46,56H,4-7,9-10,12-15,18,21-24,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-
HMDB54924	TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,42,45,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-41,43-44,46-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-,45-42-
HMDB54925	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-41,46-47,49-50,60H,4-15,18,21-24,29-30,35-37,42-45,48,51-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-
HMDB54928	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,39,45,48,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-
HMDB54929	TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,39,41,44-45,48,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB56692	CL(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB56693	CL(16:0/18:2(9Z,12Z)/16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-38,73-75,80H,5-24,27-28,31-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,37-35-,38-36-/t74-,75-/m1/s1
HMDB44808	TG(18:0/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-
HMDB56691	CL(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-36,38-41,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,37,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,40-34-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB56696	CL(16:0/18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1
HMDB56697	CL(16:0/18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB56694	CL(16:0/18:2(9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-39,43,51,55,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-42,44-50,52-54,56-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,43-39-,55-51-/t74?,75-,76-/m1/s1
HMDB56695	CL(16:0/18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB56698	CL(16:0/18:2(9Z,12Z)/18:0/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C78H148O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25,29,35,37,72-74,79H,5-24,26-28,30-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,37-35-/t72?,73-,74-/m1/s1
HMDB56699	CL(16:0/18:2(9Z,12Z)/18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1
HMDB59026	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,41,44,46-47,49-50,52,56-58,61-62,64,68,83-85,90H,5-20,24,29-31,36,40,42-43,45,48,51,53-55,59-60,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,49-46-,50-47-,56-52-,61-57-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB55345	TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H92O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-33,37-38,40-41,46,49,58H,4-6,13-15,22-24,29,34-36,39,42-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-,49-46-
HMDB55344	TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-28,30-33,37,40,46,49,58H,4-6,13-15,22-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-
HMDB55347	TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,38-39,42,44,47-48,51,60H,4-6,13-15,22-24,30,32,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-,51-48-
HMDB55346	TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-6,13-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-
HMDB55341	TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-41,43-44,62H,4-6,13-15,22-24,30-31,37-39,42,45-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-
HMDB55340	TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,38-39,42,44,47,60H,4-6,13-15,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB55343	TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,9-10,12,16,18-19,21,25,27-28,31-33,37,40,59H,4-6,8,11,13-15,17,20,22-24,26,29-30,34-36,38-39,41-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-
HMDB55342	TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-41,43-44,49,52,62H,4-6,13-15,22-24,30-31,37-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-
HMDB59020	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,40,43-44,46,48-50,52,55,58-60,62,64,81-83,88H,5-8,10-12,14-20,24,29-31,39,41-42,45,47,51,53-54,56-57,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB55349	TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-41,43-44,49-50,52-53,62H,4-6,13-15,22-24,30-31,37-39,42,45-48,51,54-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,52-49-,53-50-
HMDB55348	TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-41,43-44,50,53,62H,4-6,13-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-
HMDB59021	CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-38,41-42,44-46,50-52,54,56-57,61-62,64,66,68,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,47-49,53,55,58-60,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB54698	TG(22:4(7Z,10Z,13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-
HMDB54699	TG(22:4(7Z,10Z,13Z,16Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,35,38,40,43-44,47,49,52,66H,4-8,10-11,13-16,19,22-25,28,31-34,36-37,39,41-42,45-46,48,50-51,53-65H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,43-40-,47-44-,52-49-
HMDB59022	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,43-46,53-54,57-58,79-81,86H,5-20,23-24,29-30,35-36,39-42,47-52,55-56,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,57-53-,58-54-/t80-,81-/m1/s1
HMDB54690	TG(22:4(7Z,10Z,13Z,16Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB54691	TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,66H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB54692	TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,52,55,66H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB54693	TG(22:4(7Z,10Z,13Z,16Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,35,40,43,63H,4-15,17-18,20-24,26-27,29-32,34,36-39,41-42,44-62H2,1-3H3/b19-16-,28-25-,35-33-,43-40-
HMDB54694	TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,68H,4-16,19,22-25,28,31-35,38,41-44,47,50-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB54695	TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54,57,68H,4-16,19,22-25,28,31-35,38,41-44,47,50-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-
HMDB54696	TG(22:4(7Z,10Z,13Z,16Z)/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,45,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-
HMDB54697	TG(22:4(7Z,10Z,13Z,16Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,44-45,47,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,47-44-
HMDB06498	3-Oxooctadecanoyl-CoA	CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-26,28,32-34,38,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-2/t28-,32-,33-,34+,38-/m1/s1
HMDB06492	4-Nitrophenyl sulfate	OS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O	InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)
HMDB06497	Heptadecanoyl CoA	CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1
HMDB06496	Clupanodonyl carnitine	CC\C=C\CC\C=C\C\C=C\CC\C=C\CC\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,10-11,13-14,17-18,21-22,27H,5,8-9,12,15-16,19-20,23-26H2,1-4H3/b7-6+,11-10+,14-13+,18-17+,22-21+
HMDB09388	PE(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,27,29,41H,3-10,12,15,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,23-22-,29-27-/t41-/m1/s1
HMDB09389	PE(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,41H,3-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
HMDB09384	PE(20:4(5Z,8Z,11Z,14Z)/15:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,38H,3-10,12,14-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-,26-24-/t38-/m1/s1
HMDB09385	PE(20:4(5Z,8Z,11Z,14Z)/16:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,25,27,39H,3-10,12,14-16,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-,27-25-/t39-/m1/s1
HMDB09386	PE(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,25,27,39H,3-10,12,15,19,21,23-24,26,28-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,22-20-,27-25-/t39-/m1/s1
HMDB09387	PE(20:4(5Z,8Z,11Z,14Z)/18:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,41H,3-10,12,14-16,18,20-21,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,23-22-,29-27-/t41-/m1/s1
HMDB09380	PE(20:3(8Z,11Z,14Z)/P-18:1(11Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,35,38,42H,3-10,12,15,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,38-35-/t42-/m1/s1
HMDB09381	PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))	[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,35,38,42H,3-10,12,14-16,21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,24-22-,38-35-/t42-/m1/s1
HMDB09382	PE(20:4(5Z,8Z,11Z,14Z)/14:0)	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,23,25,37H,3-10,12,14-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-,25-23-/t37-/m1/s1
HMDB09383	PE(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,23,25,37H,3-9,14-15,18,21-22,24,26-36,40H2,1-2H3,(H,43,44)/b12-10-,13-11-,17-16-,20-19-,25-23-/t37-/m1/s1
HMDB01151	Allose	[H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m0/s1
HMDB01155	Diadenosine triphosphate	NC1=C2N=CN([C@H]3O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@H](O)[C@@H]3O)C2=NC=N1	InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8+,11-,12+,13-,14+,19-,20+
HMDB01157	2-Methylacetoacetyl-CoA	CC(C(C)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)
HMDB04385	Lipoxin A4	CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
HMDB04381	N-Acetylneuraminic acid 9-phosphate	[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O	InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6+,7+,8+,9+,11?/m0/s1
HMDB40071	2,4-Dimethyl-5-propylthiazole	CCCC1=C(C)N=C(C)S1	InChI=1S/C8H13NS/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3
HMDB40070	5-Ethyl-2,4-dimethylthiazole	CCC1=C(C)N=C(C)S1	InChI=1S/C7H11NS/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3
HMDB40073	4,5-Dimethyl-2-propylthiazole	CCCC1=NC(C)=C(C)S1	InChI=1S/C8H13NS/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3
HMDB40072	2,5-Dimethyl-4-propylthiazole	CCCC1=C(C)SC(C)=N1	InChI=1S/C8H13NS/c1-4-5-8-6(2)10-7(3)9-8/h4-5H2,1-3H3
HMDB40075	2,5-Diethyl-4-methylthiazole	CCC1=NC(C)=C(CC)S1	InChI=1S/C8H13NS/c1-4-7-6(3)9-8(5-2)10-7/h4-5H2,1-3H3
HMDB40074	4,5-Dimethyl-2-(1-methylethyl)thiazole	CC(C)C1=NC(C)=C(C)S1	InChI=1S/C8H13NS/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3
HMDB40077	4-Ethyl-2-methyl-5-propylthiazole	CCCC1=C(CC)N=C(C)S1	InChI=1S/C9H15NS/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3
HMDB40076	4-Butyl-2,5-dimethylthiazole	CCCCC1=C(C)SC(C)=N1	InChI=1S/C9H15NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H2,1-3H3
HMDB40079	4-ethyl-5-methyl-2-propylthiazole	CCCC1=NC(CC)=C(C)S1	InChI=1S/C9H15NS/c1-4-6-9-10-8(5-2)7(3)11-9/h4-6H2,1-3H3
HMDB40078	5-Ethyl-2-methyl-4-propylthiazole	CCCC1=C(CC)SC(C)=N1	InChI=1S/C9H15NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-6H2,1-3H3
HMDB50662	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,34,36-37,39,43,45-46,48,60H,4-17,19-20,22-24,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB48242	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-14,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB48243	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,31,33,37,40,46,49,58H,4-14,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-
HMDB48240	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,29-30,34,37,43,46,55H,4-13,20-22,27-28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,37-34-,46-43-
HMDB48241	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,29,31-32,34-35,38,44,47,56H,4-14,21-23,28,30,33,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,47-44-
HMDB48246	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,36,42,45,54H,4-7,9-10,12-14,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-
HMDB48247	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,35-36,38,42,45,54H,4-7,9-10,12-14,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-
HMDB06729	CE(22:4(7Z,10Z,13Z,16Z)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1	InChI=1S/C49H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,17-18,20-21,30,39-40,42-46H,7-10,13,16,19,22-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1
HMDB06728	CE(24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1	InChI=1S/C51H90O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h14-15,32,41-42,44-48H,7-13,16-31,33-40H2,1-6H3/b15-14-/t42-,44+,45+,46-,47+,48+,50+,51-/m1/s1
HMDB06727	CE(22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1
HMDB06726	CE(20:4(5Z,8Z,11Z,14Z)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1	InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
HMDB06725	CE(14:0)	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCC)[C@H](C)CCCC(C)C	InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1
HMDB48249	TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-7,9-10,12-14,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB06722	25-Hydroxytachysterol3	C[C@H](CCCC(C)(C)O)[C@H]1CCC2([H])C(=CCC[C@]12C)\C=C\C1=C(C)CCCC1O	InChI=1S/C27H44O2/c1-19-9-6-12-25(28)22(19)14-13-21-11-8-18-27(5)23(15-16-24(21)27)20(2)10-7-17-26(3,4)29/h11,13-14,20,23-25,28-29H,6-10,12,15-18H2,1-5H3/b14-13+/t20-,23-,24?,25?,27-/m1/s1
HMDB06721	5,6-trans-25-Hydroxyvitamin D3	C[C@H](CCCC(O)(C)C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C/C=C1\C[C@H](O)CCC1=C	InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11-,22-12+/t20-,23-,24-,25?,27-/m1/s1
HMDB06720	23S,25-dihydroxyvitamin D3	OC(C[C@@H](C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C)CC(O)(C)C	InChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23?,24-,25?,27-/m1/s1
HMDB49595	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-6,8,11,13-15,17,22,24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-
HMDB49594	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30-31,33,36,39-40,43,58H,4-6,8,11,13-15,17,22,24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,43-40-
HMDB49597	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-21,23-25,28,32,35,56H,4-6,8-9,11-15,17-18,22,26-27,29-31,33-34,36-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,35-32-
HMDB49596	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,30,36,39,55H,4-8,10-11,13-17,19,22,24-26,28-29,31-35,37-38,40-54H2,1-3H3/b12-9-,21-18-,23-20-,30-27-,39-36-
HMDB49591	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30,34,36-37,39,54H,4-6,8,11,13-15,17,22,24,26,29,31-33,35,38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,37-34-,39-36-
HMDB49590	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,30,36,39,54H,4-6,8,11,13-15,17,22,24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,30-27-,39-36-
HMDB49593	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,31-32,34,38,40-41,43,56H,4-6,8,11,13-15,17,22,24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB49592	TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-28,31-32,34,38,41,56H,4-6,8,11,13-15,17,22,24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,34-32-,41-38-
HMDB49599	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,37,58H,4-7,9-10,12-16,18-19,22-23,27,30-33,35-36,38-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-34-
HMDB49598	TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,27-28,31-32,35,56H,4-6,8-9,11-15,17-18,21-22,24,26,29-30,33-34,36-55H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,31-27-,35-32-
HMDB30973	9-Oxohexadecanoic acid	CCCCCCCC(=O)CCCCCCCC(O)=O	InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
HMDB30972	8-Oxohexadecanoic acid	CCCCCCCCC(=O)CCCCCCC(O)=O	InChI=1S/C16H30O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
HMDB57279	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB30970	Glycerol 1,3-dioctadecanoate 2-(9Z-octadecenoate)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,54H,4-26,28-29,31-53H2,1-3H3/b30-27+
HMDB30977	Durupcoside A	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-35(64-39-32(54)30(52)28(50)23(19-48)60-39)33(55)34(36(65-40)37(56)57)63-38-31(53)29(51)24(20-49)61-38/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)
HMDB30976	Durupcoside B	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)
HMDB30975	Corchoionoside B	CC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+
HMDB30974	8-Acetoxy-4-acoren-3-one	CC(C)C1C(CC(C)C11CC=C(C)C(=O)C1)OC(C)=O	InChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3
HMDB57273	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB57272	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,65,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-64,66-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-/t85?,86-,87-/m1/s1
HMDB30979	9-Oxooctadecanoic acid	CCCCCCCCCC(=O)CCCCCCCC(O)=O	InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
HMDB30978	11-Oxohexadecanoic acid	CCCCCC(=O)CCCCCCCCCC(O)=O	InChI=1S/C16H30O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
HMDB04659	8-Isoprostane	[H][C@@]1(CCCCCCC)CCC[C@]1([H])CCCCCCCC	InChI=1S/C20H40/c1-3-5-7-9-11-13-16-20-18-14-17-19(20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1
HMDB57276	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-20,23-24,27-32,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t84-,85-/m1/s1
HMDB57275	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-35,37-39,42-43,45-46,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-8,11-12,15-20,24,28-32,36,40-41,44,47-48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB57274	CL(18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,47-48,50-52,54,59-60,62-64,66,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45-46,49,53,55-58,61,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB33402	Yayoisaponin B	CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(=O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C56H90O29/c1-19-5-8-56(75-17-19)20(2)34-29(85-56)10-23-21-9-25(61)24-11-28(26(62)12-55(24,4)22(21)6-7-54(23,34)3)76-50-43(72)40(69)45(33(16-60)80-50)81-53-48(47(38(67)32(15-59)79-53)83-49-41(70)35(64)27(63)18-74-49)84-52-44(73)46(37(66)31(14-58)78-52)82-51-42(71)39(68)36(65)30(13-57)77-51/h19-25,27-53,57-61,63-73H,5-18H2,1-4H3
HMDB33403	Yayoisaponin A	CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C56H92O29/c1-19-5-8-56(75-17-19)20(2)34-29(85-56)10-23-21-9-25(61)24-11-28(26(62)12-55(24,4)22(21)6-7-54(23,34)3)76-50-43(72)40(69)45(33(16-60)80-50)81-53-48(47(38(67)32(15-59)79-53)83-49-41(70)35(64)27(63)18-74-49)84-52-44(73)46(37(66)31(14-58)78-52)82-51-42(71)39(68)36(65)30(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3
HMDB33400	Annoglabasin A	COC(=O)C1(CC23CC1CCC2C1(C)CCCC(C)(C=O)C1CC3)OC(C)=O	InChI=1S/C23H34O5/c1-15(25)28-23(19(26)27-4)13-22-11-8-17-20(2,14-24)9-5-10-21(17,3)18(22)7-6-16(23)12-22/h14,16-18H,5-13H2,1-4H3
HMDB33401	Yayoisaponin C	CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	InChI=1S/C51H84O25/c1-18-5-8-51(67-17-18)19(2)32-27(76-51)10-22-20-9-24(56)23-11-26(25(57)12-50(23,4)21(20)6-7-49(22,32)3)68-45-41(66)38(63)42(31(16-55)72-45)73-48-44(75-47-40(65)37(62)34(59)29(14-53)70-47)43(35(60)30(15-54)71-48)74-46-39(64)36(61)33(58)28(13-52)69-46/h18-48,52-66H,5-17H2,1-4H3
HMDB33406	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Xylopyranosyl-(1-&gt;3)-[b-D-galactopyranosyl-(1-&gt;2)]-b-D-glucuronopyranoside]	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O	InChI=1S/C47H72O20/c1-42(2)13-14-47(41(60)61)21(15-42)20-7-8-25-43(3)11-10-27(44(4,19-49)24(43)9-12-45(25,5)46(20,6)16-26(47)51)64-40-36(67-39-32(56)30(54)29(53)23(17-48)63-39)34(33(57)35(66-40)37(58)59)65-38-31(55)28(52)22(50)18-62-38/h7,19,21-36,38-40,48,50-57H,8-18H2,1-6H3,(H,58,59)(H,60,61)
HMDB33407	Saponarioside B	CC1OC(OC2C(O)C(OC3OC(C)C(OC(C)=O)C(O)C3O)C(C)OC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C77H120O41/c1-26-54(108-29(4)80)44(89)49(94)66(105-26)112-56-28(3)107-69(60(51(56)96)116-67-50(95)45(90)55(27(2)106-67)111-65-53(98)57(34(83)24-104-65)113-63-46(91)40(85)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39(74(8,25-79)36(73)13-16-75(37,9)76(30,10)20-38(77)84)110-70-61(117-68-48(93)43(88)42(87)35(21-78)109-68)58(52(97)59(115-70)62(99)100)114-64-47(92)41(86)33(82)23-103-64/h11,25-28,31-61,63-70,78,81-98H,12-24H2,1-10H3,(H,99,100)
HMDB33404	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H64O16/c1-37(2)13-14-42(36(53)54)20(15-37)19-7-8-23-38(3)11-10-25(39(4,18-44)22(38)9-12-40(23,5)41(19,6)16-24(42)45)56-35-32(29(49)28(48)31(57-35)33(51)52)58-34-30(50)27(47)26(46)21(17-43)55-34/h7,18,20-32,34-35,43,45-50H,8-17H2,1-6H3,(H,51,52)(H,53,54)
HMDB33405	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;3)-[b-D-galactopyranosyl-(1-&gt;2)]-b-D-glucuronopyranoside]	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(O)=O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C48H74O20/c1-20-28(52)30(54)32(56)39(63-20)66-35-34(58)36(38(59)60)67-41(37(35)68-40-33(57)31(55)29(53)23(18-49)64-40)65-27-11-12-44(4)24(45(27,5)19-50)10-13-46(6)25(44)9-8-21-22-16-43(2,3)14-15-48(22,42(61)62)26(51)17-47(21,46)7/h8,19-20,22-37,39-41,49,51-58H,9-18H2,1-7H3,(H,59,60)(H,61,62)
HMDB46020	TG(20:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,42,45,64H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-41,43-44,46-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,45-42-
HMDB46021	TG(20:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,36,42,45,51,54,64H,4-6,8-9,11-15,18,21-24,27,30-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,45-42-,54-51-
HMDB33408	3-Hydroxy-12-oleanen-28-oic acid; 3b-form, 3-(4-Methoxycinnamoyl)(Z-), Me ester	COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC(=O)\C=C\C5=CC=C(OC)C=C5)C(C)(C)C4CCC3(C)C1(C)CC2	InChI=1S/C41H58O5/c1-36(2)22-24-41(35(43)45-9)25-23-39(6)29(30(41)26-36)15-16-32-38(5)20-19-33(37(3,4)31(38)18-21-40(32,39)7)46-34(42)17-12-27-10-13-28(44-8)14-11-27/h10-15,17,30-33H,16,18-26H2,1-9H3/b17-12+
HMDB33409	3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid; (24Z)-form, 26-Me ester	COC(=O)C(\C)=C/CCC(C)C1CCC2(C)C3CCC(C(C)=C)C4(CCC(O)=O)CC34CCC12C	InChI=1S/C31H48O4/c1-20(2)23-11-12-25-29(6)15-13-24(21(3)9-8-10-22(4)27(34)35-7)28(29,5)17-18-31(25)19-30(23,31)16-14-26(32)33/h10,21,23-25H,1,8-9,11-19H2,2-7H3,(H,32,33)/b22-10-
HMDB46024	TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,43,46,64H,4-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,29-26-,37-34-,46-43-
HMDB46025	TG(20:0/22:4(7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,39,45,48,66H,4-16,18-19,21-25,27-28,30-34,36-38,40-44,46-47,49-65H2,1-3H3/b20-17-,29-26-,39-35-,48-45-
HMDB46026	TG(20:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,35,38,56H,4-14,17,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,38-35-
HMDB02719	Desmosterol	[H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB41036	Sugeonol	CC1CCC2C(O)C3=C(C)C(=O)CC13C2(C)C	InChI=1S/C15H22O2/c1-8-5-6-10-13(17)12-9(2)11(16)7-15(8,12)14(10,3)4/h8,10,13,17H,5-7H2,1-4H3
HMDB41037	8-Deoxy-11-hydroxy-13-chlorogrosheimin	CC1C2C(CC1=O)C(=C)CCC1C2OC(=O)C1(O)CCl	InChI=1S/C15H19ClO4/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,19H,1,3-6H2,2H3
HMDB41034	(4Z,7Z)-4,7-Decadien-1-ol	CC\C=C\C\C=C/CCCO	InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,11H,2,5,8-10H2,1H3/b4-3+,7-6-
HMDB41035	Isoannonacin A	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
HMDB41032	25-Methyl-21-tritriacontene-1,9,11-triol	CCCCCCCCC(C)CC\C=C\CCCCCCCCCC(O)CC(O)CCCCCCCCO	InChI=1S/C34H68O3/c1-3-4-5-6-16-21-26-32(2)27-22-17-12-10-8-7-9-11-13-18-23-28-33(36)31-34(37)29-24-19-14-15-20-25-30-35/h12,17,32-37H,3-11,13-16,18-31H2,1-2H3/b17-12+
HMDB41033	1,7-Pentatriacontadien-11-ol	CCCCCCCCCCCCCCCCCCCCCCCCC(O)CC\C=C\CCCCC=C	InChI=1S/C35H68O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-35(36)33-31-29-27-12-10-8-6-4-2/h4,27,29,35-36H,2-3,5-26,28,30-34H2,1H3/b29-27+
HMDB41030	Jujubasaponin IV	CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C)(O)C(CC=C(C)C)OC66CC54CO6)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H78O18/c1-21(2)9-12-29-46(8,58)39-23-10-11-27-44(6)15-14-28(43(4,5)26(44)13-16-45(27,7)47(23)19-48(39,66-29)59-20-47)63-42-38(65-40-35(56)33(54)30(51)22(3)60-40)37(32(53)25(18-50)62-42)64-41-36(57)34(55)31(52)24(17-49)61-41/h9,22-42,49-58H,10-20H2,1-8H3
HMDB41031	3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one	COC1=C(O)CC(O)(CO)C(O)C1=O	InChI=1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9-10,12-13H,2-3H2,1H3
HMDB49623	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,38,41,47,50,62H,4-7,9-10,12-16,18-19,22-23,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,41-38-,50-47-
HMDB49622	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,36,39,45,48,60H,4-7,9-10,12-16,18-19,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,39-36-,48-45-
HMDB49621	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-7,9-10,12-16,18-19,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB49620	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,37,43,46,58H,4-7,9-10,12-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,37-34-,46-43-
HMDB49627	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33-34,36-37,43,46,58H,4-7,9-10,12-15,18,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB49626	TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,33,36,42,45,57H,4-6,8-9,11-13,15,18,20,22,27,29-32,34-35,37-41,43-44,46-56H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,36-33-,45-42-
HMDB41038	Collybial	CC1(C)CC2C1CC=C(C=O)C1C(=O)CC21C	InChI=1S/C15H20O2/c1-14(2)6-11-10(14)5-4-9(8-16)13-12(17)7-15(11,13)3/h4,8,10-11,13H,5-7H2,1-3H3
HMDB41039	21beta-Hydroxyhederagenin	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O	InChI=1S/C30H48O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)
HMDB44778	TG(18:0/20:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB44779	TG(18:0/20:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
HMDB44776	TG(18:0/20:0/18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h56H,4-55H2,1-3H3
HMDB44774	TG(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30-31,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,39-36-,48-45-
HMDB44775	TG(18:0/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB44772	TG(18:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,28-25-,34-32-,43-40-
HMDB44773	TG(18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,39-36-
HMDB44770	TG(18:0/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,34,37,54H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,28-25-,37-34-
HMDB44771	TG(18:0/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,32,34,56H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-55H2,1-3H3/b10-7-,19-16-,28-25-,34-32-
HMDB45833	TG(20:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,36,42,45,51,54,64H,4-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b19-16-,28-25-,29-26-,36-33-,45-42-,54-51-
HMDB45830	TG(20:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h17,20,25-26,28-29,36,39,45,48,62H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-
HMDB54896	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-7,10,13-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-
HMDB03449	Beta-D-Galactose	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
HMDB03448	3-Hydroxy-b,e-caroten-3'-one	C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(=O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C	InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,36-37,42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
HMDB03441	Cinnamaldehyde	O=C\C=C\C1=CC=CC=C1	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
HMDB03442	CE(5:0)	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCC)[C@H](C)CCCC(C)C	InChI=1S/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
HMDB03447	Tryptophanol	OCCC1=CNC2=CC=CC=C12	InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
HMDB31318	2,2,6,10,14-Pentamethylpentadecanoic acid	CC(C)CCCC(C)CCCC(C)CCCC(C)(C)C(O)=O	InChI=1S/C20H40O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-20(5,6)19(21)22/h16-18H,7-15H2,1-6H3,(H,21,22)
HMDB31319	2,3,7,11,15-Pentamethylhexadecanoic acid	CC(C)CCCC(C)CCCC(C)CCCC(C)C(C)C(O)=O	InChI=1S/C21H42O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(6)21(22)23/h16-20H,7-15H2,1-6H3,(H,22,23)
HMDB39165	Capsianoside VI	CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C44H74O20/c1-8-44(7,64-43-37(55)33(51)30(48)26(18-45)61-43)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-38(56)39(29(47)25(6)60-41)63-42-36(54)34(52)31(49)27(62-42)20-58-40-35(53)32(50)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+
HMDB39164	L-Oxalylalbizziine	NC(CNC(=O)NC(=O)C(O)=O)C(O)=O	InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)
HMDB39163	D-N-(Carboxyacetyl)alanine	CC(NC(=O)CC(O)=O)C(O)=O	InChI=1S/C6H9NO5/c1-3(6(11)12)7-4(8)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
HMDB39161	Syndesine	NC(CCC(O)C\N=C\C(O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C12H23N3O6/c13-9(11(18)19)3-1-7(16)5-15-6-8(17)2-4-10(14)12(20)21/h5,7-10,16-17H,1-4,6,13-14H2,(H,18,19)(H,20,21)/b15-5+
HMDB39160	L-Gizzerosine	NC(CCCCNCCC1=CNC=N1)C(O)=O	InChI=1S/C11H20N4O2/c12-10(11(16)17)3-1-2-5-13-6-4-9-7-14-8-15-9/h7-8,10,13H,1-6,12H2,(H,14,15)(H,16,17)
HMDB31310	Benzyl acetate	CC(=O)OCC1=CC=CC=C1	InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
HMDB31311	Benzyl butyl ether	CCCCOCC1=CC=CC=C1	InChI=1S/C11H16O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
HMDB31312	Benzyl ethyl ether	CCOCC1=CC=CC=C1	InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
HMDB31313	2-Pentyl-3-phenyl-2-propenal	CCCCC\C(C=O)=C/C1=CC=CC=C1	InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11+
HMDB31314	Benzyl methyl sulfide	CSCC1=CC=CC=C1	InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
HMDB31315	1-(beta-D-Glucopyranosyloxy)-3-octanone	CCCCCC(=O)CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H26O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h10-15,17-19H,2-8H2,1H3
HMDB39169	6-O-p-Coumaroyl-D-glucose	OC(COC(=O)\C=C\C1=CC=C(O)C=C1)C(O)C(O)C(O)C=O.OC(COC(=O)\C=C\C1=CC=C(O)C=C1)C1OC(O)C(O)C1O.OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/3C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(18)22-7-10(17)14-12(19)13(20)15(21)23-14;16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10;16-7-11(18)14(21)15(22)12(19)8-23-13(20)6-3-9-1-4-10(17)5-2-9/h1-6,10,12-17,19-21H,7H2;1-6,10,12-16,18-21H,7H2;1-7,11-12,14-15,17-19,21-22H,8H2/b3*6-3+
HMDB31317	Bis(methylthio)methane	CSCSC	InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
HMDB38696	Deoxyfructosazine	OCC(O)C(O)CC1=CN=C(C=N1)C(O)C(O)C(O)CO	InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2
HMDB38697	xi-2,2,6-Trimethyl-1,4-cyclohexanedione	CC1CC(=O)CC(C)(C)C1=O	InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3
HMDB38694	Crispane	C\C=C(\C)C(=O)O[C@H]1C=C(C)[C@@]2(C)CCCC[C@]2([H])[C@@]1(O)C(C)C	InChI=1S/C20H32O3/c1-7-14(4)18(21)23-17-12-15(5)19(6)11-9-8-10-16(19)20(17,22)13(2)3/h7,12-13,16-17,22H,8-11H2,1-6H3/b14-7-/t16-,17-,19+,20-/m0/s1
HMDB38695	3beta-Cucurbita-5,24-dien-3-ol	CC(CCC=C(C)C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3
HMDB38692	6-Methyl-2-methylene-6-octene-1,3,8-triol	C\C(CCC(O)C(=C)CO)=C\CO	InChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5-
HMDB38693	Oryzalic acid B	CC(C)(C1CCC23CC(CCC2C1(C)CC(O)=O)C(=C)C3O)C(O)=O	InChI=1S/C20H30O5/c1-11-12-5-6-14-19(4,10-15(21)22)13(18(2,3)17(24)25)7-8-20(14,9-12)16(11)23/h12-14,16,23H,1,5-10H2,2-4H3,(H,21,22)(H,24,25)
HMDB38690	Isoachifolidiene	C\C=C(/C)C(=O)OC1CC2C(OC(=O)C2=C)C2C(C)=CC=C2C1(C)O	InChI=1S/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+
HMDB38691	Kiwiionoside	CC(O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H34O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+
HMDB37415	Isomargaritene	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1	InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3
HMDB37414	8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone	COC1=C(C2OC(CO)C(O)C(O)C2O)C(O)=C2C(=O)C=C(OC2=C1C1OC(CO)C(O)C(O)C1O)C1=CC=C(O)C=C1	InChI=1S/C28H32O15/c1-40-25-16(27-23(38)21(36)18(33)13(7-29)42-27)20(35)15-11(32)6-12(9-2-4-10(31)5-3-9)41-26(15)17(25)28-24(39)22(37)19(34)14(8-30)43-28/h2-6,13-14,18-19,21-24,27-31,33-39H,7-8H2,1H3
HMDB37417	Isowertin 2''-rhamnoside	COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1=CC=C(O)C=C1	InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H3
HMDB37416	Vitexin; 7-Me ether, 4'-O-b-D-glucopyranoside	COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OC(CO)C(O)C(O)C1O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3
HMDB37411	Lucenin 2,7-O-rhamnoside	CC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)C=C(OC3=C2C2OC(CO)C(O)C(O)C2O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-8-19(39)23(43)28(48)33(49-8)53-30-17(31-26(46)24(44)20(40)14(6-34)51-31)22(42)16-12(38)5-13(9-2-3-10(36)11(37)4-9)50-29(16)18(30)32-27(47)25(45)21(41)15(7-35)52-32/h2-5,8,14-15,19-21,23-28,31-37,39-48H,6-7H2,1H3
HMDB37410	6,8-Diglucosyldiosmetin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O1	InChI=1S/C28H32O16/c1-41-11-3-2-8(4-9(11)31)12-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-12)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3
HMDB38698	xi-2-Hydroxy-1,3,5-bisabolatrien-9-one	CC(C)CC(=O)CC(C)C1=CC=C(C)C(O)=C1	InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-6,9-10,12,17H,7-8H2,1-4H3
HMDB37412	3,6-Diglucopyranosyl-4',5,7-trihydroxyflavone	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(C3OC(CO)C(O)C(O)C3O)C(=O)C2=C1O	InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)14-10(31)5-11-15(19(14)34)20(35)16(25(40-11)8-1-3-9(30)4-2-8)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-34,36-39H,6-7H2
HMDB45821	TG(20:0/22:1(13Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,34,60H,4-24,26,29-33,35-59H2,1-3H3/b28-25-,34-27-
HMDB45820	TG(20:0/22:1(13Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,60H,4-20,22-23,26-27,29-59H2,1-3H3/b24-21-,28-25-
HMDB45823	TG(20:0/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,36,39,45,48,62H,4-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,39-36-,48-45-
HMDB45822	TG(20:0/22:1(13Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-
HMDB45825	TG(20:0/22:1(13Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-
HMDB45824	TG(20:0/22:1(13Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-
HMDB40859	Oleanolic acid bisdesmosides; Tetraglycosides, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-b-D-galactopyranosyl-(1-&gt;3)-b-D-glucuronopyranoside], 28-O-b-D-glucopyranosyl ester	CC1OC(OC2C(O)C(O)C(OC2OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C)OC(C2O)C(O)=O)C(O)=O)C(O)C(O)C1O	InChI=1S/C54H84O24/c1-21-28(56)30(58)34(62)44(71-21)77-41-33(61)32(60)39(42(66)67)76-47(41)74-38-36(64)40(43(68)69)75-46(37(38)65)73-27-12-13-51(6)25(50(27,4)5)11-14-53(8)26(51)10-9-22-23-19-49(2,3)15-17-54(23,18-16-52(22,53)7)48(70)78-45-35(63)31(59)29(57)24(20-55)72-45/h9,21,23-41,44-47,55-65H,10-20H2,1-8H3,(H,66,67)(H,68,69)
HMDB40858	Elatoside D	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)
HMDB40857	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[b-D-Galactopyranosyl-(1-&gt;3)-b-D-glucopyranoside], 28-O-b-D-glucuronopyranosyl ester	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O	InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-34(57)31(54)32(55)37(66-40)38(59)60)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(29(52)24(20-50)63-41)65-39-33(56)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)
HMDB40856	Tarasaponin I	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-33(55)34(63-39-32(54)30(52)29(51)24(19-48)61-39)35(36(65-40)37(56)57)64-38-31(53)28(50)23(49)20-60-38/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)
HMDB40855	Stipuleanoside R2	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-38(65)39(73-44-36(63)33(60)30(57)24(19-54)69-44)40(41(75-46)42(66)67)74-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)
HMDB40854	Elatoside K	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-41(75-43-35(62)30(57)24(56)21-69-43)39(38(65)40(74-46)42(66)67)73-44-36(63)33(60)31(58)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)
HMDB40853	Tarasaponin IV	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-44-36(63)33(60)30(57)24(19-54)69-44)38(65)39(41(75-46)42(66)67)73-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)
HMDB40852	Elatoside E	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)60-39-36(62-37-33(53)30(50)24(48)20-57-37)35(25(49)21-58-39)61-38-34(54)32(52)31(51)26(19-47)59-38/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)
HMDB40851	Calenduloside E	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)
HMDB40850	Araloside G	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-40(67)37(64)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-41(68)43(76-45-39(66)36(63)33(60)26(20-56)71-45)42(28(22-58)73-47)75-44-38(65)35(62)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3
HMDB32469	Phthalide	O=C1OCC2=CC=CC=C12	InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
HMDB32468	2-Phenylpropionaldehyde dimethyl acetal	COC(OC)C(C)C1=CC=CC=C1	InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
HMDB42317	TG(14:0/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,29,32,48H,4-15,17-18,21-22,26-28,30-31,33-47H2,1-3H3/b19-16-,23-20-,25-24-,32-29-
HMDB32463	5-Pentyl-3h-furan-2-one	CCCC\C=C1\OC(=O)C(C)C1C	InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7-9H,4-6H2,1-3H3/b10-7+
HMDB32462	Pentyl 2-furyl ketone	CCCCCC(=O)C1=CC=CO1	InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
HMDB32461	Pent-2-enyl hexanoate	CCCCCC(=O)OC\C=C/CC	InChI=1S/C11H20O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h6,8H,3-5,7,9-10H2,1-2H3/b8-6-
HMDB32460	4-Pentenyl acetate	CC(=O)OCCCC=C	InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3
HMDB32467	(+/-)-1-Phenylethylmercaptan	CC(S)C1=CC=CC=C1	InChI=1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
HMDB32466	Phenol-formaldehyde, cross-linked, triethylenetetramine activated	C=O.OC1=CC=CC=C1.NCCNCCNCCN	InChI=1S/C6H18N4.C6H6O.CH2O/c7-1-3-9-5-6-10-4-2-8;7-6-4-2-1-3-5-6;1-2/h9-10H,1-8H2;1-5,7H;1H2
HMDB32465	Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated	NCCNCCNCCNCCN	InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
HMDB32464	Phenethyl decanoate	CCCCCCCCCC(=O)OCCC1=CC=CC=C1	InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
HMDB01960	Tin	[SnH4+4]	InChI=1S/Sn.4H/q+4;;;;
HMDB01961	1,7-Dimethylguanosine	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[O-])C2=C1C(=O)N(C)C(N)=N2	InChI=1S/C12H17N5O5/c1-15-4-17(11-8(20)7(19)5(3-18)22-11)9-6(15)10(21)16(2)12(13)14-9/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2,13,14)/t5-,7-,8-,11-/m1/s1
HMDB47083	TG(24:0/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h26,29,37,39,45,48,62H,4-25,27-28,30-36,38,40-44,46-47,49-61H2,1-3H3/b29-26-,39-37-,48-45-
HMDB47082	TG(24:0/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h26,29,62H,4-25,27-28,30-61H2,1-3H3/b29-26-
HMDB01964	Caffeic acid	OC(=O)\C=C/C1=CC=C(O)C(O)=C1	InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-
HMDB01965	Troxilin B3	CCCCC\C=C/C[C@@H](O)[C@H](O)C(O)\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1
HMDB01966	Titanium	[Ti+4]	InChI=1S/Ti/q+4
HMDB01967	Carbon dioxide	O=C=O	InChI=1S/CO2/c2-1-3
HMDB01968	5b-Cholestane-3a,7a,12a,23-Tetrol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC(O)CC(C)C	InChI=1S/C27H48O4/c1-15(2)10-19(29)11-16(3)20-6-7-21-25-22(14-24(31)27(20,21)5)26(4)9-8-18(28)12-17(26)13-23(25)30/h15-25,28-31H,6-14H2,1-5H3/t16-,17+,18-,19?,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
HMDB47088	TG(24:0/18:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,61H,4-13,15-16,18-22,24-25,27-60H2,1-3H3/b17-14-,26-23-
HMDB30191	N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide	OC(CNC(=O)\C=C/C1=CC=CC=C1)C1=CC=C(O)C=C1	InChI=1S/C17H17NO3/c19-15-9-7-14(8-10-15)16(20)12-18-17(21)11-6-13-4-2-1-3-5-13/h1-11,16,19-20H,12H2,(H,18,21)/b11-6-
HMDB30190	(E,E)-Lansamide I	CN(\C=C/C1=CC=CC=C1)C(=O)\C=C\C1=CC=CC=C1	InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14-
HMDB30193	N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide	CC(C)=CCOC1=CC=C(CCNC(=O)\C=C/C2=CC=CC=C2)C=C1	InChI=1S/C22H25NO2/c1-18(2)15-17-25-21-11-8-20(9-12-21)14-16-23-22(24)13-10-19-6-4-3-5-7-19/h3-13,15H,14,16-17H2,1-2H3,(H,23,24)/b13-10-
HMDB30192	Marmeline	CC(C)=CCOC1=CC=C(C=C1)C(O)CNC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C22H25NO3/c1-17(2)14-15-26-20-11-9-19(10-12-20)21(24)16-23-22(25)13-8-18-6-4-3-5-7-18/h3-14,21,24H,15-16H2,1-2H3,(H,23,25)/b13-8-
HMDB30195	gamma-Fagarine	COC1=CC=CC2=C1N=C1OC=CC1=C2OC	InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3
HMDB30194	(E,E)-N-4-Methoxystyrylcinnamide	COC1=CC=C(\C=C/NC(=O)\C=C/C2=CC=CC=C2)C=C1	InChI=1S/C18H17NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-14H,1H3,(H,19,20)/b12-9-,14-13-
HMDB30197	(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid	CC\C=C\CC1=C(CC(O)=O)CCC1=O	InChI=1S/C12H16O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4H,2,5-8H2,1H3,(H,14,15)/b4-3+
HMDB30196	Fagopyrine	CC1=C2C3=C(C)C=C(O)C4=C3C3=C5C2=C(C(O)=C1)C(=O)C1=C5C(=C(O)C(C2CCCCN2)=C1O)C1=C(O)C(C2CCCCN2)=C(O)C(C4=O)=C31	InChI=1S/C40H34N2O8/c1-13-11-17(43)23-25-19(13)20-14(2)12-18(44)24-26(20)28-27(25)29-31(35(45)21(15-7-3-5-9-41-15)37(47)33(29)39(23)49)32-30(28)34(40(24)50)38(48)22(36(32)46)16-8-4-6-10-42-16/h11-12,15-16,41-48H,3-10H2,1-2H3
HMDB30199	Frangulanine	CCC(C)C(N(C)C)C(=O)NC1C(OC2=CC=C(C=C2)\C=C/NC(=O)C(CC(C)C)NC1=O)C(C)C	InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-
HMDB30198	(-)-Folicanthine	CN1CCC2(C1N(C)C1=C2C=CC=C1)C12CCN(C)C1N(C)C1=C2C=CC=C1	InChI=1S/C24H30N4/c1-25-15-13-23(17-9-5-7-11-19(17)27(3)21(23)25)24-14-16-26(2)22(24)28(4)20-12-8-6-10-18(20)24/h5-12,21-22H,13-16H2,1-4H3
HMDB59314	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,70-71,88-90,95H,5-9,12-13,16-20,24,29-31,36,41-43,51-53,56,60,62-65,68-69,72-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-/t88?,89-,90-/m1/s1
HMDB59315	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,69-71,73,88-90,95H,5-9,12-13,16-20,24,29-31,36,41-43,51-53,56,60,62-65,68,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB59312	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-48-40-36-32-28-24-20-16-12-8-4)82-102-89(94)76-72-68-64-60-56-52-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,43-48,51-52,55-56,63-64,67-68,85-87,92H,5-8,10-12,14-20,23-24,29-30,35-36,41-42,49-50,53-54,57-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,55-51-,56-52-,67-63-,68-64-/t85?,86-,87-/m1/s1
HMDB41412	Quercetin 3-(2Gal-apiosylrobinobioside)	CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C(O)=C3)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3
HMDB59310	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66,70,88-90,95H,5-9,12-13,16-20,24,29-31,36,41-43,51-53,56,60,62-65,67-69,71-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-/t88?,89-,90-/m1/s1
HMDB59311	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66,69-70,73,88-90,95H,5-9,12-13,16-20,24,29-31,36,41-43,51-53,56,60,62-65,67-68,71-72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,73-69-/t88?,89-,90-/m1/s1
HMDB08718	PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,38,41,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,41-38-
HMDB08719	PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,43-40-
HMDB41413	Marmesin rutinoside	CC1OC(OCC2OC(OC(C)(C)C3CC4=CC5=C(OC(=O)C=C5)C=C4O3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C26H34O13/c1-10-18(28)20(30)22(32)24(35-10)34-9-15-19(29)21(31)23(33)25(38-15)39-26(2,3)16-7-12-6-11-4-5-17(27)37-13(11)8-14(12)36-16/h4-6,8,10,15-16,18-25,28-33H,7,9H2,1-3H3
HMDB08710	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,32,34,50H,6-7,9,11-13,15,17-19,24-25,27,29-31,33,35-49H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,34-32-/t50-/m1/s1
HMDB08711	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,32,34,50H,6-7,9,11-13,18-19,24-25,27,29-31,33,35-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,34-32-/t50-/m1/s1
HMDB08712	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,50H,6-7,9,11-13,18-19,24-25,30-31,36-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t50-/m1/s1
HMDB08713	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32-35,39,41,50H,6-7,9,11-13,18-19,24-25,30-31,36-38,40,42-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t50-/m1/s1
HMDB08714	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,50H,6-7,12-13,18-19,24-25,30-31,36-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t50-/m1/s1
HMDB08715	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,39,41,50H,6-7,12-13,18-19,24-25,30-31,36-38,40,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t50-/m1/s1
HMDB08716	PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,30,34,36,52H,6-8,10,12-14,16,18-20,22,24-27,29,31-33,35,37-51H2,1-5H3/b11-9-,17-15-,23-21-,30-28-,36-34-/t52-/m1/s1
HMDB08717	PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,30,34,36,52H,6-8,10,12-14,16,18-19,24-27,29,31-33,35,37-51H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,30-28-,36-34-/t52-/m1/s1
HMDB42315	TG(14:0/16:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h20,23-25,54H,4-19,21-22,26-53H2,1-3H3/b23-20-,25-24-
HMDB41416	Hydroxymyricanone	COC1=C(O)C2=CC(=C1OC)C1=C(O)C=CC(CC(O)C(=O)CCCC2)=C1	InChI=1S/C21H24O6/c1-26-20-15-11-13(19(25)21(20)27-2)5-3-4-6-17(23)18(24)10-12-7-8-16(22)14(15)9-12/h7-9,11,18,22,24-25H,3-6,10H2,1-2H3
HMDB41417	12-Dehydroporson	COC1=C2C=C(CC(=O)C(=O)CCCCC3=CC2=C(OC)C(OC)=C3O)C=C1	InChI=1S/C22H24O6/c1-26-19-9-8-13-10-15(19)16-12-14(20(25)22(28-3)21(16)27-2)6-4-5-7-17(23)18(24)11-13/h8-10,12,25H,4-7,11H2,1-3H3
HMDB41418	3,3',4',5,7-Pentahydroxyflavanone; (2R,3R)-form, 3-O-a-L-Arabinofuranoside	OCC1OC(OC2C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C20H20O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28H,6H2
HMDB41419	Astin I	CCC1NC(=O)C2C(O)C(Cl)CN2C(=O)C(CC)NC(=O)CC(NC(=O)C(CO)NC1=O)C1=CC=CC=C1	InChI=1S/C25H34ClN5O7/c1-3-15-22(35)30-18(12-32)23(36)29-17(13-8-6-5-7-9-13)10-19(33)27-16(4-2)25(38)31-11-14(26)21(34)20(31)24(37)28-15/h5-9,14-18,20-21,32,34H,3-4,10-12H2,1-2H3,(H,27,33)(H,28,37)(H,29,36)(H,30,35)
HMDB42312	TG(14:0/16:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h20,23-25,50H,4-19,21-22,26-49H2,1-3H3/b23-20-,25-24-
HMDB42313	TG(14:0/16:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h20,23-25,27,29,34,37,50H,4-19,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b23-20-,25-24-,29-27-,37-34-
HMDB54889	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43-48,66H,4-6,8,11,13-15,22-24,31-33,40-42,49-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB54888	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,33-34,36-38,41-43,45-47,50,64H,4-7,10,13-15,22-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB35118	Madasiatic acid	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5C(O)CC34C)C2C1C)C(O)=O	InChI=1S/C30H48O5/c1-16-10-11-30(25(34)35)13-12-28(6)18(22(30)17(16)2)8-9-21-27(5)14-20(32)24(33)26(3,4)23(27)19(31)15-29(21,28)7/h8,16-17,19-24,31-33H,9-15H2,1-7H3,(H,34,35)
HMDB35119	Isomangiferolic acid	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+
HMDB38348	Goyaglycoside a	COC1OC23C=CC4C5(C)CCC(C(C)C\C=C\C(C)(C)O)C5(C)CCC14C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)C	InChI=1S/C37H60O9/c1-21(10-9-15-32(2,3)42)22-13-16-35(7)24-14-17-37-25(36(24,31(43-8)46-37)19-18-34(22,35)6)11-12-26(33(37,4)5)45-30-29(41)28(40)27(39)23(20-38)44-30/h9,14-15,17,21-31,38-42H,10-13,16,18-20H2,1-8H3/b15-9+
HMDB38349	Goyaglycoside c	COC1OC23C=CC4C5(C)CCC(C(C)C\C=C\C(C)(C)OC)C5(C)CCC14C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)C	InChI=1S/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+
HMDB35112	(3beta,17alpha,23R)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-ene-15,24-dione	CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1	InChI=1S/C29H44O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,21-23,30,32H,7-16H2,1-6H3
HMDB35113	17,23-Epoxy-29-hydroxy-27-norlanost-8-ene-3,15,24-trione	CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(=O)C(C)(CO)C2CC4)O1	InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,21-22,30H,7-16H2,1-6H3
HMDB38346	Cholest-5-ene-1,3,16,22-tetrol; (1b,3b,16b,22S)-form, 1-O-[b-D-Galactopyranosyl-(1-&gt;4)-a-L-rhamnopyranoside], 16-O-b-D-galactopyranoside	CC(C)CCC(O)C(C)C1C(CC2C3CC=C4CC(O)CC(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C45H76O18/c1-18(2)7-10-26(49)19(3)31-27(59-42-37(55)34(52)32(50)28(16-46)60-42)15-25-23-9-8-21-13-22(48)14-30(45(21,6)24(23)11-12-44(25,31)5)62-41-39(57)36(54)40(20(4)58-41)63-43-38(56)35(53)33(51)29(17-47)61-43/h8,18-20,22-43,46-57H,7,9-17H2,1-6H3
HMDB38347	Methylpicraquassioside A	COC(=O)CCC1=C(OC)C2=C(OC=C2)C=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H24O10/c1-25-14(21)4-3-9-12(7-11-10(5-6-27-11)18(9)26-2)28-19-17(24)16(23)15(22)13(8-20)29-19/h5-7,13,15-17,19-20,22-24H,3-4,8H2,1-2H3
HMDB38340	N6-cis-p-Coumaroylserotonin	OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)C=C1	InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+
HMDB38341	Glucosylisomaltol	CC(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=CO1	InChI=1S/C12H16O8/c1-5(14)11-6(2-3-18-11)19-12-10(17)9(16)8(15)7(4-13)20-12/h2-3,7-10,12-13,15-17H,4H2,1H3
HMDB38342	Goyasaponin III	CC(=O)OC1C(OC2OCC(O)C(O)C2O)C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)C)OC(C1OC1OC(CO)C(O)C(O)C1O)C(O)=O	InChI=1S/C49H76O19/c1-22(51)63-36-35(66-41-34(57)32(55)31(54)26(20-50)64-41)37(39(58)59)67-42(38(36)68-40-33(56)30(53)25(52)21-62-40)65-29-12-13-46(6)27(45(29,4)5)11-14-48(8)28(46)10-9-23-24-19-44(2,3)15-17-49(24,43(60)61)18-16-47(23,48)7/h9,24-38,40-42,50,52-57H,10-21H2,1-8H3,(H,58,59)(H,60,61)
HMDB38343	13-Demethylspirolide C	CC1CN=C2CCCC(=C)CC3CCC(C)(O)C4(CCC5(CCC(CC(O)\C(C)=C\C6C(C)=C(CCC26CC1C)C1OC(=O)C(C)=C1)O5)O4)O3	InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3/b26-20+
HMDB58041	CL(18:1(11Z)/18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58040	CL(18:1(11Z)/18:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-37,39-40,43,48,52,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,38,41-42,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,37-33-,40-39-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB58043	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34-35,38-39,75-77,82H,5-24,26-28,30-33,36-37,40-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,38-34-,39-35-/t75?,76-,77-/m1/s1
HMDB39958	1-Pentadecanecarboxylic acid	CC1OC(OC2=CC=C(C=O)C=C2)C(O)C(O)C1OC(C)=O	InChI=1S/C15H18O7/c1-8-14(21-9(2)17)12(18)13(19)15(20-8)22-11-5-3-10(7-16)4-6-11/h3-8,12-15,18-19H,1-2H3
HMDB13835	diisobutyl phthalate	CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C	InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
HMDB58044	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32-33,35-36,38,73-75,80H,5-25,27,29,31,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-,36-33-,38-35-/t73?,74-,75-/m1/s1
HMDB58047	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-37,39-41,76-78,83H,5-24,27-28,31-34,38,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,39-35-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB58046	CL(18:1(11Z)/18:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34-36,38-40,75-77,82H,5-24,26-28,30-33,37,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,38-34-,39-35-,40-36-/t75?,76-,77-/m1/s1
HMDB13839	N-Desmethylaminopyrine	CNC1=C(C)N(C)N(C1=O)C1=CC=CC=C1	InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
HMDB42311	TG(14:0/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23-25,48H,4-19,21-22,26-47H2,1-3H3/b23-20-,25-24-
HMDB54883	TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-48,66H,4-8,10-11,13-15,22-24,31-33,40-42,49-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB34447	Ptelatoside B	CC1OC(OC2C(OC3=CC=C(C=C)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H28O10/c1-3-10-4-6-11(7-5-10)28-20-18(16(25)14(23)12(8-21)29-20)30-19-17(26)15(24)13(22)9(2)27-19/h3-7,9,12-26H,1,8H2,2H3
HMDB34446	Diphenyl ether	O(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
HMDB34445	Cochliophilin A	OC1=C2C(=O)C=C(OC2=CC2=C1OCO2)C1=CC=CC=C1	InChI=1S/C16H10O5/c17-10-6-11(9-4-2-1-3-5-9)21-12-7-13-16(20-8-19-13)15(18)14(10)12/h1-7,18H,8H2
HMDB34444	Citreorosein	OCC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1	InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2
HMDB34443	Questinol	COC1=CC(O)=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2=O	InChI=1S/C16H12O6/c1-22-12-5-8(18)4-10-14(12)16(21)13-9(15(10)20)2-7(6-17)3-11(13)19/h2-5,17-19H,6H2,1H3
HMDB34442	L-trans-alpha-Amino-2-carboxycyclopropaneacetic acid	NC(C1CC1C(O)=O)C(O)=O	InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)
HMDB34441	Americine	CNC(C(C)C)C(=O)NC1C(OC2=CC=C(C=C2)\C=C/NC(=O)C(CC2=CNC3=C2C=CC=C3)NC1=O)C(C)C	InChI=1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14-
HMDB34440	(-)-1-(Methylthio)propyl 1-propenyl disulfide	CCC(SC)SS\C=C\C	InChI=1S/C7H14S3/c1-4-6-9-10-7(5-2)8-3/h4,6-7H,5H2,1-3H3/b6-4+
HMDB34449	Hydroxyanigorufone	OC1=CC=C(C=C1)C1=C2C(=O)C(O)=CC3=CC=CC(C=C1)=C23	InChI=1S/C19H12O3/c20-14-7-4-11(5-8-14)15-9-6-12-2-1-3-13-10-16(21)19(22)18(15)17(12)13/h1-10,20-21H
HMDB34448	Methyl phenyl sulfide	CSC1=CC=CC=C1	InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
HMDB53958	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-37,58H,4-7,10,13-15,22-24,30-31,35,38-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-
HMDB15378	Docetaxel	[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1	InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
HMDB15379	Iodixanol	CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I	InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)
HMDB13785	Furan	O1C=CC=C1	InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
HMDB58594	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C86H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-38,40-44,49,53,61,65,80-82,87H,5-20,22-24,27-29,31-32,34,39,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,30-26-,37-33-,41-40-,42-35-,43-36-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB34999	Bakkenolide C	C\C=C(/C)C(=O)OC1CCC(C)C2(C)CC3(C(O)C12)C(=C)COC3=O	InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6+
HMDB34998	Bakkenolide D	CS\C=C\C(=O)OC1CCC(C)C2(C)CC3(C(OC(C)=O)C12)C(=C)COC3=O	InChI=1S/C21H28O6S/c1-12-6-7-15(27-16(23)8-9-28-5)17-18(26-14(3)22)21(11-20(12,17)4)13(2)10-25-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8+
HMDB58591	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,41-46,51-52,55-56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,39-40,47-50,53-54,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB58590	CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,41-46,51-52,55-56,63-64,67-68,83-85,90H,5-20,23-24,27-32,39-40,47-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-,67-63-,68-64-/t84-,85-/m1/s1
HMDB34995	Ginsenoside Rc	CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3
HMDB34994	Chikusetsusaponin Ia	CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3
HMDB34997	beta-Selinene	CC(=C)C1CCC2(C)CCCC(=C)C2C1	InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3
HMDB34996	Ginsenoside Rb2	CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3
HMDB34991	4-Methoxybenzyl butanoate	CCCC(=O)OCC1=CC=C(OC)C=C1	InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3
HMDB34990	4-Methoxybenzyl propanoate	CCC(=O)OCC1=CC=C(OC)C=C1	InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3
HMDB34993	4-Methoxybenzyl formate	COC1=CC=C(COC=O)C=C1	InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3
HMDB34992	4-Methoxybenzyl phenylacetate	COC1=CC=C(COC(=O)CC2=CC=CC=C2)C=C1	InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
HMDB59385	CL(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,67,69,71,73,88-90,95H,5-8,10,12,14,16-20,24,29-31,36,41-43,51-53,56,60,62-66,68,70,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB48905	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-31,35,37-38,40,44,47,56H,4-15,18,22-23,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-
HMDB48904	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-32,36,39,45,48,57H,4-15,17-18,22,26,29,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,31-30-,32-28-,39-36-,48-45-
HMDB48907	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,40,46,49,58H,4-15,18,22-23,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-
HMDB29632	Oleyl alcohol	CCCCCCCC\C=C\CCCCCCCCO	InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+
HMDB29633	Phenylmethanethiol	SCC1=CC=CC=C1	InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
HMDB29630	3-Glucosyl-2,4,4',6-tetrahydroxybenzophenone; 2'',3'',6''-Tri-O-galloyl	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C(C(=O)C2=CC=C(O)C=C2)=C(O)C=C1O	InChI=1S/C40H32O22/c41-17-3-1-13(2-4-17)29(50)27-18(42)11-19(43)28(34(27)55)35-37(62-40(58)16-9-24(48)32(53)25(49)10-16)36(61-39(57)15-7-22(46)31(52)23(47)8-15)33(54)26(60-35)12-59-38(56)14-5-20(44)30(51)21(45)6-14/h1-11,26,33,35-37,41-49,51-55H,12H2
HMDB29631	Chalconaringenin	OC1=CC=C(\C=C\C(=O)C2=C(O)C=C(O)C=C2O)C=C1	InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
HMDB29636	2-Methylbenzaldehyde	CC1=CC=CC=C1C=O	InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
HMDB29637	3-Methylbenzaldehyde	CC1=CC(C=O)=CC=C1	InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
HMDB29634	2-Methylbenzenethiol	CC1=C(S)C=CC=C1	InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
HMDB29635	4-Methylbenzoic acid	CC1=CC=C(C=C1)C(O)=O	InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
HMDB48901	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-15,17-18,20,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB29638	4-Methylbenzaldehyde	CC1=CC=C(C=O)C=C1	InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
HMDB29639	(4-Methylphenyl)acetaldehyde	CC1=CC=C(CC=O)C=C1	InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3
HMDB48900	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,37,40,46,49,58H,4-15,17-18,20,22-23,29,31,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,40-37-,49-46-
HMDB48903	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,33,36,41,44,50,53,62H,4-16,18-19,22-23,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,36-33-,44-41-,53-50-
HMDB48902	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,32,34,39,42,48,51,60H,4-16,18-19,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-
HMDB39905	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[4-Hydroxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C(O)C(O)C3OC(=O)\C=C\C3=CC=C(O)C=C3)C(O)=O)C(O)=O)C=C2O1	InChI=1S/C38H36O21/c1-52-22-9-15(10-23(53-2)26(22)43)20-13-19(41)25-18(40)11-17(12-21(25)55-20)54-37-34(30(47)28(45)31(57-37)35(48)49)59-38-33(29(46)27(44)32(58-38)36(50)51)56-24(42)8-5-14-3-6-16(39)7-4-14/h3-13,27-34,37-40,43-47H,1-2H3,(H,48,49)(H,50,51)/b8-5+
HMDB39904	3',4',5,5',7-Pentahydroxyflavone; 3'-Me ether, 7-O-b-D-glucuronopyranoside	COC1=CC(=CC(O)=C1O)C1=CC(=O)C2=C(O1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O	InChI=1S/C22H20O13/c1-32-14-3-7(2-11(25)16(14)26)12-6-10(24)15-9(23)4-8(5-13(15)34-12)33-22-19(29)17(27)18(28)20(35-22)21(30)31/h2-6,17-20,22-23,25-29H,1H3,(H,30,31)
HMDB39907	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=CC(O)=C5C(=O)C=C(OC5=C4)C4=CC(OC)=C(O)C(OC)=C4)OC(C(O)C3O)C(O)=O)OC(C(O)C2O)C(O)=O)=CC(OC)=C1O	InChI=1S/C40H40O23/c1-54-21-7-14(8-22(55-2)27(21)44)5-6-25(43)60-35-31(48)29(46)34(38(52)53)62-40(35)63-36-32(49)30(47)33(37(50)51)61-39(36)58-16-11-17(41)26-18(42)13-19(59-20(26)12-16)15-9-23(56-3)28(45)24(10-15)57-4/h5-13,29-36,39-41,44-49H,1-4H3,(H,50,51)(H,52,53)/b6-5+
HMDB39906	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside]	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C(O)=O)C(O)=O)C=C2O1	InChI=1S/C39H38O22/c1-53-21-8-14(4-6-17(21)40)5-7-25(43)58-34-30(47)28(45)33(37(51)52)60-39(34)61-35-31(48)29(46)32(36(49)50)59-38(35)56-16-11-18(41)26-19(42)13-20(57-22(26)12-16)15-9-23(54-2)27(44)24(10-15)55-3/h4-13,28-35,38-41,44-48H,1-3H3,(H,49,50)(H,51,52)/b7-5+
HMDB39901	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[b-D-Galactopyranosyl-(1-&gt;4)-b-D-glucopyranoside]	COC1=C(OC2=C(C(O)=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=C2)C1=O)C1=CC=C(O)C(O)=C1	InChI=1S/C28H32O17/c1-40-26-19(35)17-13(33)5-10(6-14(17)42-24(26)9-2-3-11(31)12(32)4-9)41-27-23(39)21(37)25(16(8-30)44-27)45-28-22(38)20(36)18(34)15(7-29)43-28/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3
HMDB39900	Thesinine 4'-O-glucoside	OCC1OC(OC2=CC=C(\C=C\C(=O)OCC3CCN4CCCC34)C=C2)C(O)C(O)C1O	InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2/b8-5+
HMDB39903	Mangostenone B	CC(C)=CCC1=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C2CCC(C)(C)OC2=C1O	InChI=1S/C28H30O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9,11,13,29-30H,8,10,12H2,1-6H3
HMDB39902	Dihydrodaidzin	OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H22O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,14,16,18-23,25-27H,8-9H2/t14?,16-,18-,19+,20-,21-/m1/s1
HMDB39909	4',5,7,8-Tetrahydroxyisoflavone; 8-Me ether, 4'-O-b-D-glucopyranoside, 7-O-a-L-rhamnopyranoside	COC1=C2OC=C(C(=O)C2=C(O)C=C1OC1OC(C)C(O)C(O)C1O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	InChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(40-10)42-15-7-14(30)17-19(32)13(9-39-26(17)25(15)38-2)11-3-5-12(6-4-11)41-28-24(37)22(35)20(33)16(8-29)43-28/h3-7,9-10,16,18,20-24,27-31,33-37H,8H2,1-2H3
HMDB39908	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(-&gt;2)-b-D-glucuronopyranosyl-(1-&gt;2)-[b-D-glucuronopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside]	COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(OC4OC(C(O)C(O)C4O)C(O)=O)C3OC3OC(C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C(O)=O)C(O)=O)C=C2O1	InChI=1S/C45H46O28/c1-63-21-8-14(4-6-17(21)46)5-7-25(49)68-38-31(54)30(53)36(41(59)60)71-44(38)73-39-34(69-43-32(55)28(51)29(52)35(70-43)40(57)58)33(56)37(42(61)62)72-45(39)66-16-11-18(47)26-19(48)13-20(67-22(26)12-16)15-9-23(64-2)27(50)24(10-15)65-3/h4-13,28-39,43-47,50-56H,1-3H3,(H,57,58)(H,59,60)(H,61,62)/b7-5+
HMDB49179	TG(18:1(11Z)/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29,60H,4-20,22-23,25,27-28,30-59H2,1-3H3/b24-21-,29-26-
HMDB45010	TG(18:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB45011	TG(18:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB45012	TG(18:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,30,32,35,41,44,56H,4-7,9-10,12-16,18-19,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,35-32-,44-41-
HMDB45013	TG(18:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-26,28,30,32,35-36,39,41,44,56H,4-7,9-10,12-16,18-19,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB45014	TG(18:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,43,46,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB45015	TG(18:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB45016	TG(18:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB45017	TG(18:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,36,38-39,41,45,47-48,50,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-,50-47-
HMDB45018	TG(18:0/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,32,35,41,44,57H,4-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,35-32-,44-41-
HMDB45019	TG(18:0/22:1(13Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25,28,58H,4-24,26-27,29-57H2,1-3H3/b28-25-
HMDB54466	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-15,18,21-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB45280	TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,40-41,43-44,50,53,62H,4-15,18,21-24,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-
HMDB49175	TG(18:1(11Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,41-38-,50-47-
HMDB49174	TG(18:1(11Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,41-38-
HMDB54897	TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-7,10,13-15,22-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB54463	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-15,18,21-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB54462	TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33,36,40-41,43-44,49,52,64H,4-15,18,21-24,31-32,34-35,37-39,42,45-48,50-51,53-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-
HMDB54433	TG(22:2(13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32,34,39,42,48,51,62H,4-15,18,22-23,27,30-31,33,35-38,40-41,43-47,49-50,52-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB13000	Maltoheptaose	OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)C(O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,32+,33-,34+,35+,36?,37-,38+,39-,40+,41-,42+/m0/s1
HMDB13001	Maltononaose	OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)C(O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@H]5CO)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C54H92O46/c55-1-10-19(64)20(65)30(75)47(85-10)94-39-12(3-57)87-49(32(77)22(39)67)96-41-14(5-59)89-51(34(79)24(41)69)98-43-16(7-61)91-53(36(81)26(43)71)100-45-18(9-63)92-54(37(82)28(45)73)99-44-17(8-62)90-52(35(80)27(44)72)97-42-15(6-60)88-50(33(78)25(42)70)95-40-13(4-58)86-48(31(76)23(40)68)93-38-11(2-56)84-46(83)29(74)21(38)66/h10-83H,1-9H2/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41-,42+,43-,44+,45-,46?,47-,48+,49-,50+,51-,52+,53-,54-/m0/s1
HMDB13004	Monodehydroascorbate	[O]C1[C@@H](OC(=O)C1=O)[C@@H](O)CO	InChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-8H,1H2/t2-,3?,5-/m0/s1
HMDB07034	DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-/m0/s1
HMDB07035	DG(14:0/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1
HMDB07036	DG(14:0/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,39,42H,3-15,18-38H2,1-2H3/b17-16-/t39-/m0/s1
HMDB07037	DG(14:1(9Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C31H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,29,32H,3-8,10,12-28H2,1-2H3/b11-9-/t29-/m0/s1
HMDB07030	DG(14:0/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,37,40H,3-10,12,14-15,18-36H2,1-2H3/b13-11-,17-16-/t37-/m0/s1
HMDB07031	DG(14:0/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,37,40H,3-10,12,14-15,18,21,23,25-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
HMDB07032	DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,28,30,37,40H,3-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,30-28-/t37-/m0/s1
HMDB07033	DG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
HMDB07038	DG(14:1(9Z)/14:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C31H56O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,29,32H,3-8,13-28H2,1-2H3/b11-9-,12-10-/t29-/m0/s1
HMDB07039	DG(14:1(9Z)/15:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,30,33H,3-9,11,13-29H2,1-2H3/b12-10-/t30-/m0/s1
HMDB42295	TG(14:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,15-16,18-19,23-24,28,30,46H,4-6,8-9,11-14,17,20-22,25-27,29,31-45H2,1-3H3/b10-7-,18-15-,19-16-,24-23-,30-28-
HMDB42294	TG(14:0/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,15-16,18-19,23-24,46H,4-6,8-9,11-14,17,20-22,25-45H2,1-3H3/b10-7-,18-15-,19-16-,24-23-
HMDB48637	TG(16:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,32,38,41,54H,4-20,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,29-26-,32-30-,41-38-
HMDB42299	TG(14:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,15-16,18-19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-14,17,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,18-15-,19-16-,24-23-,27-26-,32-29-,40-37-
HMDB42298	TG(14:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,15-16,18-19,23-24,26-27,29,32,50H,4-6,8-9,11-14,17,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,18-15-,19-16-,24-23-,27-26-,32-29-
HMDB53636	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,36,39-40,43,49,52,61H,4-6,9,12-14,21-23,30-31,33,35,37-38,41-42,44-48,50-51,53-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,52-49-
HMDB48633	TG(16:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h20-21,23-26,50H,4-19,22,27-49H2,1-3H3/b23-20-,24-21-,26-25-
HMDB48632	TG(16:1(9Z)/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,53H,4-19,22,25-52H2,1-3H3/b23-20-,24-21-
HMDB48631	TG(16:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,34,37,43,46,56H,4-6,8-9,11-15,17-18,22,26,28,31-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,37-34-,46-43-
HMDB48630	TG(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27,29-30,34,37,56H,4-6,8-9,11-15,17-18,22,26,28,31-33,35-36,38-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-29-,37-34-
HMDB53630	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,32,34,36,39-40,43,45,48-49,52,61H,4-6,8-9,11-14,21-23,30-31,33,35,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-,52-49-
HMDB47043	TG(24:0/15:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,61H,4-16,18-19,21-25,27,29-60H2,1-3H3/b20-17-,28-26-
HMDB48657	TG(16:1(9Z)/20:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29,54H,4-20,22-23,28,30-53H2,1-3H3/b24-21-,27-25-,29-26-
HMDB47042	TG(24:0/15:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,37,42,45,59H,4-16,18-19,21-25,27,29-34,36,38-41,43-44,46-58H2,1-3H3/b20-17-,28-26-,37-35-,45-42-
HMDB14849	Diethylcarbamazine	CCN(CC)C(=O)N1CCN(C)CC1	InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3
HMDB14848	Ibandronate	CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O	InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
HMDB14841	Methazolamide	CN1N=C(S\C1=N/C(C)=O)S(N)(=O)=O	InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-
HMDB59050	CL(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-43-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,40,42-45,47-48,52,55,59-60,64,81-83,88H,5-20,23-24,27-32,39,41,46,49-51,53-54,56-58,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,47-45-,52-48-,59-55-,64-60-/t81?,82-,83-/m1/s1
HMDB32855	2,6-Diethylaniline, 8CI; N-Chloroacetyl	CCC1=CC=CC(CC)=C1NC(=O)CCl	InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)
HMDB14842	Naltrexone	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O	InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
HMDB14845	Porfimer	<smiles/>	InChI=1S/C99H110N12O13/c1-43-46(4)70-37-88-97(55(13)79(109-88)34-76-51(9)63(21-27-93(116)117)84(106-76)40-82-61(19-25-91(112)113)49(7)73(103-82)31-67(43)100-70)58(16)123-59(17)98-56(14)80-35-77-53(11)65(23-29-95(120)121)86(108-77)42-87-66(54(12)75(105-87)33-69-44(2)47(5)71(101-69)38-89(98)110-80)24-30-96(122)124-60(18)99-57(15)81-36-78-52(10)64(22-28-94(118)119)85(107-78)41-83-62(20-26-92(114)115)50(8)74(104-83)32-68-45(3)48(6)72(102-68)39-90(99)111-81/h31-36,40-42,58-60,70-72,103-105,109-111H,19-30,37-39H2,1-18H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)/b73-31-,74-32-,75-33-,76-34-,77-35-,78-36-,82-40-,83-41-,87-42-
HMDB14844	Tamsulosin	CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O	InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
HMDB14847	Lamivudine	NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1	InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
HMDB14846	Sufentanil	CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1	InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
HMDB00567	Cinnamic acid	OC(=O)\C=C/C1=CC=CC=C1	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
HMDB00565	Galactonic acid	OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O	InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1
HMDB00564	PC(16:0/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
HMDB00562	Creatinine	CN1CC(=O)NC1=N	InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
HMDB00561	B-Carotene	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
HMDB00560	5,8-Tetradecadienoic acid	CCCCC\C=C/C\C=C/CCCC(O)=O	InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6-,10-9-
HMDB00569	Deoxypyridinoline	N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C([O-])=O)=C(C[C@H](N)C(O)=O)C(O)=C1)C(O)=O	InChI=1S/C18H28N4O7/c19-12(16(24)25)3-1-2-6-22-8-10(4-5-13(20)17(26)27)11(15(23)9-22)7-14(21)18(28)29/h8-9,12-14H,1-7,19-21H2,(H3-,23,24,25,26,27,28,29)/t12-,13-,14-/m0/s1
HMDB00568	D-Arabitol	OCC(O)C(O)C(O)CO	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
HMDB58908	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-68,71-72,88-90,95H,5-8,10,12,14,16-20,24,29-31,36,41-43,51-54,58,62-66,69-70,73-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-/t88?,89-,90-/m1/s1
HMDB58909	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-69,71-73,88-90,95H,5-8,10,12,14,16-20,24,29-31,36,41-43,51-54,58,62-66,70,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB58904	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,68,72,88-90,95H,5-8,10,12,14,16-20,24,29-31,36,41-43,51-54,58,62-67,69-71,73-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,72-68-/t88?,89-,90-/m1/s1
HMDB58905	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-35,37-40,44-50,55-57,59-61,68-69,72-73,88-90,95H,5-8,10,12,14,16-20,24,29-31,36,41-43,51-54,58,62-67,70-71,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB58906	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-8,10-12,14-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB58907	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,44-50,55-57,59-61,67-69,71-73,88-90,95H,5-8,10-12,14-20,24,29-31,36,41-43,51-54,58,62-66,70,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,71-67-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB58900	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB58901	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,43-48,52,54,56,58,66,70,85-87,92H,5-8,10-12,14-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-65,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,70-66-/t85?,86-,87-/m1/s1
HMDB58902	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,66-67,71,86-88,93H,5-8,10-12,14-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-65,68-70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-,71-67-/t86?,87-,88-/m1/s1
HMDB58903	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)87-109-113(102,103)107-83-88(95)82-106-112(100,101)108-86-89(84-104-91(96)78-74-70-66-62-58-54-50-40-36-32-28-24-20-16-12-8-4)110-93(98)80-76-72-68-64-60-56-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,44-50,55-57,59-61,68-69,72-73,88-90,95H,5-8,10-12,14-20,24,29-31,36,41-43,51-54,58,62-67,70-71,74-87H2,1-4H3,(H,100,101)(H,102,103)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,59-55-,60-56-,61-57-,72-68-,73-69-/t88?,89-,90-/m1/s1
HMDB55871	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43-48,52,54-55,57,66H,4-6,9,12-15,22-24,31-33,40-42,49-51,53,56,58-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,55-52-,57-54-
HMDB55870	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-39,43-48,54,57,66H,4-6,9,12-15,22-24,31-33,40-42,49-53,55-56,58-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-,57-54-
HMDB11312	PC(P-18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,36,39,43H,6-8,10,12-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,39-36-/t43-/m1/s1
HMDB11313	PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,36,39,43H,6-8,10,12-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,39-36-/t43-/m1/s1
HMDB11310	PC(P-18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,36,39,43H,6-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,39-36-/t43-/m1/s1
HMDB11311	PC(P-18:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,36,39,43H,6-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,39-36-/t43-/m1/s1
HMDB11316	PC(P-18:1(9Z)/20:2(11Z,14Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,38,41,45H,6-13,15,17-19,24-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,41-38-/t45-/m1/s1
HMDB11317	PC(P-18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,25,27,31,33,38,41,45H,6-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,23-21-,27-25-,33-31-,41-38-/t45-/m1/s1
HMDB11314	PC(P-18:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h21,23,38,41,45H,6-20,22,24-37,39-40,42-44H2,1-5H3/b23-21-,41-38-
HMDB11315	PC(P-18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,38,41,45H,6-19,24-37,39-40,42-44H2,1-5H3/b22-20-,23-21-,41-38-/t45-/m1/s1
HMDB11318	PC(P-18:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,38,41,45H,6-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,41-38-/t45-/m1/s1
HMDB11319	PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,38,41,45H,6-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-,41-38-/t45-/m1/s1
HMDB48653	TG(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-27,29-31,34,37,43,46,56H,4-6,8-9,11-15,17-18,20,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB48996	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-15,18,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB48997	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,34,37,43,46,58H,4-7,9-10,12-15,18,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-,46-43-
HMDB48994	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-27,31,34,40,43,55H,4-6,8-9,11-13,15,18,20,22,28-30,32-33,35-39,41-42,44-54H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,27-25-,34-31-,43-40-
HMDB48995	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-32,34-35,41,44,56H,4-7,9-10,12-15,18,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB48992	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,27-28,30-31,34,40,43,55H,4-6,8-9,11-15,17-18,22,26,29,32-33,35-39,41-42,44-54H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,27-25-,30-28-,34-31-,43-40-
HMDB48993	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,33,35,38-39,42,54H,4-6,8-9,11-15,18,22-23,28,31-32,34,36-37,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-,42-39-
HMDB48990	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,34,37,43,46,58H,4-7,9-10,12-16,18-19,22-23,29-33,35-36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,37-34-,46-43-
HMDB48991	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,36,39,45,48,60H,4-7,9-10,12-16,18-19,22-23,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,39-36-,48-45-
HMDB48998	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32,34,36-37,39,43,46,58H,4-7,9-10,12-15,18,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB48999	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32,34,36-37,39,43,45-46,48,58H,4-7,9-10,12-15,18,22-23,29,31,33,35,38,40-42,44,47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-,48-45-
HMDB06819	2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone	COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O	InChI=1S/C38H56O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+
HMDB06818	2-Hexaprenyl-6-methoxy-1,4-benzoquinone	COC1=CC(=O)C=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O	InChI=1S/C37H54O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27H,9-13,15,17,19,21,23,25H2,1-8H3/b29-16+,30-18+,31-20+,32-22+,33-24+
HMDB49025	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,40,42,45,58H,4-6,9,12-15,18,22-23,29,31,34-35,38-39,41,43-44,46-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-
HMDB06814	1D-myo-Inositol 3-phosphate	OC1[C@H](O)[C@H](O)C(OP(O)(O)=O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m0/s1
HMDB06817	2-Hexaprenyl-6-methoxyphenol	COC1=CC=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O	InChI=1S/C37H56O2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)27-28-35-25-14-26-36(39-8)37(35)38/h14-15,17,19,21,23,25-27,38H,9-13,16,18,20,22,24,28H2,1-8H3/b30-17+,31-19+,32-21+,33-23+,34-27+
HMDB06816	3-hexaprenyl-4-hydroxybenzoic acid	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O	InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+
HMDB49021	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-34,38-39,41-42,47,50,60H,4-7,9-10,12-15,18,22-23,29-30,35-37,40,43-46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-
HMDB49020	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-34,38-39,41-42,60H,4-7,9-10,12-15,18,22-23,29-30,35-37,40,43-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-
HMDB49023	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,37-38,40,56H,4-6,9,12-15,18,22-23,28,32-34,36,39,41-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-
HMDB49022	TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,38,56H,4-6,9,12-15,18,22-23,28,32-34,36-37,39-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-
HMDB50867	TG(20:1(11Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-
HMDB50866	TG(20:1(11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,42,45,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-,45-42-
HMDB50865	TG(20:1(11Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,36,59H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-58H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,36-33-
HMDB50864	TG(20:1(11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,37,40,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,40-37-
HMDB50863	TG(20:1(11Z)/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,32-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-
HMDB50862	TG(20:1(11Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,48,51,61H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB50861	TG(20:1(11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,61H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-
HMDB50860	TG(20:1(11Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,61H,4-15,17-18,20-24,27,30-60H2,1-3H3/b19-16-,28-25-,29-26-
HMDB50869	TG(20:3(5Z,8Z,11Z)/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30-33,37-38,40-41,54H,4-23,28-29,34-36,39,42-53H2,1-3H3/b26-24-,27-25-,32-30-,33-31-,40-37-,41-38-
HMDB50868	TG(20:1(11Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-,51-48-
HMDB43999	TG(16:0/24:0/20:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
HMDB43998	TG(16:0/24:0/18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
HMDB43993	TG(16:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,42,45,58H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,45-42-
HMDB46001	TG(20:0/22:2(13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,58H,4-15,17-18,20,22-23,26,28-57H2,1-3H3/b19-16-,24-21-,27-25-
HMDB43992	TG(16:0/22:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,58H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,28-26-,36-33-
HMDB43991	TG(16:0/22:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,37,40,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-36,38-39,41-55H2,1-3H3/b11-8-,20-17-,31-26-,40-37-
HMDB43990	TG(16:0/22:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-55H2,1-3H3/b11-8-,20-17-,31-26-
HMDB43997	TG(16:0/24:0/16:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h56H,4-55H2,1-3H3
HMDB06101	Enterolactone	OC1=CC=CC(CC2COC(=O)C2CC2=CC(O)=CC=C2)=C1	InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2
HMDB43996	TG(16:0/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-57(56-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB43995	TG(16:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,41-38-,50-47-
HMDB43994	TG(16:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,41-38-
HMDB30353	Arecoline	COC(=O)C1=CCCN(C)C1	InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
HMDB30352	Arecaidine	CN1CCC=C(C1)C(O)=O	InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
HMDB30351	Arborine	CN1C(CC2=CC=CC=C2)=NC(=O)C2=C1C=CC=C2	InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
HMDB30350	Dehydroanonaine	C1OC2=C(O1)C1=C3C(CCNC3=CC3=C1C=CC=C3)=C2	InChI=1S/C17H13NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,7-8,18H,5-6,9H2
HMDB30357	N-Methylaspidospermatidine	C\C=C1\C2N3CCC22C(CC1CC3)N(C)C1=C2C=CC=C1	InChI=1S/C19H24N2/c1-3-14-13-8-10-21-11-9-19(18(14)21)15-6-4-5-7-16(15)20(2)17(19)12-13/h3-7,13,17-18H,8-12H2,1-2H3/b14-3+
HMDB30356	14,19-Didehydrocondyfolan	C\C=C1\C2N3CCC22C(CC1CC3)NC1=C2C=CC=C1	InChI=1S/C18H22N2/c1-2-13-12-7-9-20-10-8-18(17(13)20)14-5-3-4-6-15(14)19-16(18)11-12/h2-6,12,16-17,19H,7-11H2,1H3/b13-2+
HMDB30355	(+)-O-Methylarmepavine	COC1=CC=C(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1	InChI=1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3
HMDB30354	Arenaine	CC1C2CCC(C)(C=C)N2C(=N)NC1=O	InChI=1S/C11H17N3O/c1-4-11(3)6-5-8-7(2)9(15)13-10(12)14(8)11/h4,7-8H,1,5-6H2,2-3H3,(H2,12,13,15)
HMDB30359	14,19-Dihydroaspidospermatine	CCC1C2N3CCC22C(CC1CC3)N(C(C)=O)C1=C2C=CC=C1OC	InChI=1S/C21H28N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h5-7,14-15,18,20H,4,8-12H2,1-3H3
HMDB30358	Aspidospermatine	COC1=CC=CC2=C1N(C1CC3CCN4CCC21C4\C3=C\C)C(C)=O	InChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+
HMDB32625	4-Propylphenol	CCCC1=CC=C(O)C=C1	InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
HMDB55998	DG(15:0/0:0/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,36,39H,3-10,12,14-16,19,22-35H2,1-2H3/b13-11-,18-17-,21-20-
HMDB55999	DG(15:0/0:0/20:4n6)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,25,27,36,39H,3-10,12,14-16,19,22-24,26,28-35H2,1-2H3/b13-11-,18-17-,21-20-,27-25-
HMDB32624	2-Propylphenol	CCCC1=C(O)C=CC=C1	InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
HMDB55994	DG(15:0/0:0/24:1n9)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40,43H,3-16,19-39H2,1-2H3/b18-17-
HMDB55995	DG(15:0/0:0/18:2n6)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,18-19,35,38H,3-12,14,16-17,20-34H2,1-2H3/b15-13-,19-18-
HMDB55996	DG(15:0/0:0/18:3n6)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,34,37H,3-10,12,14-16,19-20,22,24-33H2,1-2H3/b13-11-,18-17-,23-21-
HMDB55997	DG(15:0/0:0/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h9,11,15,17,35,38H,3-8,10,12-14,16,18-34H2,1-2H3/b11-9-,17-15-
HMDB55990	DG(15:0/0:0/18:1n9)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,34,37H,3-16,19-33H2,1-2H3/b18-17-
HMDB39635	Abscisic alcohol	C\C(=C/CO)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6+
HMDB55992	DG(15:0/0:0/20:3n9)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,36,39H,3-16,19,22-24,26,28-35H2,1-2H3/b18-17-,21-20-,27-25-
HMDB55993	DG(15:0/0:0/22:1n9)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18,38,41H,3-16,19-37H2,1-2H3/b18-17-
HMDB39634	Piperenol A	OC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C2=CC=CC=C2)C1O	InChI=1S/C21H20O7/c22-16-11-15(12-27-20(25)13-7-3-1-4-8-13)17(23)19(18(16)24)28-21(26)14-9-5-2-6-10-14/h1-11,16-19,22-24H,12H2
HMDB57848	CL(18:1(11Z)/16:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
HMDB57849	CL(18:1(11Z)/16:0/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,73-75,80H,5-24,27-28,31-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-/t73?,74-,75-/m1/s1
HMDB57844	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-38,41-42,44-45,47,50-52,54,56,59,62-64,66,68,83-85,90H,5-8,11-12,15-20,24,29-31,39-40,43,46,48-49,53,55,57-58,60-61,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,44-41-,45-42-,51-47-,54-50-,56-52-,63-59-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB32621	(2-Methoxyethyl)benzene	COCCC1=CC=CC=C1	InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
HMDB57846	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-54,56-58,64-65,68-69,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,55,59-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-/t85?,86-,87-/m1/s1
HMDB57847	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57840	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,11-12,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57841	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57842	CL(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB39632	N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide	COC(CNC(=O)\C=C\C1=CC=CC=C1)C1=CC=C(OC)C=C1	InChI=1S/C19H21NO3/c1-22-17-11-9-16(10-12-17)18(23-2)14-20-19(21)13-8-15-6-4-3-5-7-15/h3-13,18H,14H2,1-2H3,(H,20,21)/b13-8+
HMDB32623	1-Phenyl-1-propanone	CCC(=O)C1=CC=CC=C1	InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
HMDB56719	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,40-43,48,52,60,64,79-81,86H,5-20,22-24,28-29,32,34-35,39,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB56718	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3/h21,25-27,30-31,33,36-38,40-42,46,54,58,77-79,84H,5-20,22-24,28-29,32,34-35,39,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,36-33-,40-37-,41-38-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB56717	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-41-38-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-41,76-78,83H,5-24,28,32-35,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,31-27-,39-36-,40-37-,41-38-/t76?,77-,78-/m1/s1
HMDB56716	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB56715	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,36-37,39-40,75-77,82H,5-24,28,32-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB32622	Phenethyl rutinoside	CC1OC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3
HMDB56713	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-50-54-58-62-66-79(84)92-72-77(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,39-40,75-77,82H,5-24,27-28,31-35,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB56712	CL(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-38,73-75,80H,5-24,27-28,31-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB56711	CL(16:0/18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35-40,75-77,82H,5-24,27-28,31-34,41-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,38-35-,39-36-,40-37-/t75?,76-,77-/m1/s1
HMDB56710	CL(16:0/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25,29,34-39,74-76,81H,5-24,26-28,30-33,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,37-34-,38-35-,39-36-/t74?,75-,76-/m1/s1
HMDB03052	Lactaldehyde	C[C@H](O)C=O	InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1
HMDB59544	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,50-51,54-55,62-63,66-67,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-49,52-53,56-61,64-65,68-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-,66-62-,67-63-/t84?,85-,86-/m1/s1
HMDB47207	TG(24:0/16:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,33,38,41,58H,4-16,18-19,22-23,25,27-32,34-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,33-26-,41-38-
HMDB47206	TG(24:0/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-34-28-26-23-20-17-14-11-8-5-2/h20-21,23-24,28,34,59H,4-19,22,25-27,29-33,35-58H2,1-3H3/b23-20-,24-21-,34-28-
HMDB47205	TG(24:0/16:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,64H,4-20,22-23,26,28-63H2,1-3H3/b24-21-,27-25-
HMDB47204	TG(24:0/16:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-39-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,62H,4-20,22-23,25,27,29-61H2,1-3H3/b24-21-,28-26-
HMDB37823	10,11-Dihydroxy-2,6-farnesadien-1-oic acid; (2E,6E,10x)-form, b-D-Glucopyranosyl ester	C\C(CCC(O)C(C)(C)O)=C/CC\C(C)=C\C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H36O9/c1-12(8-9-15(23)21(3,4)28)6-5-7-13(2)10-16(24)30-20-19(27)18(26)17(25)14(11-22)29-20/h6,10,14-15,17-20,22-23,25-28H,5,7-9,11H2,1-4H3/b12-6+,13-10+
HMDB37825	xi-2,5-Dimethyltridecane	CCCCCCCCC(C)CCC(C)C	InChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3
HMDB37826	(E)-26,27-Dinorergosta-4,22-dien-3-one	CC(C)\C=C\C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C	InChI=1S/C26H40O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6+
HMDB59542	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,49-50,53-54,61-62,65-66,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,65-61-,66-62-/t84-,85-/m1/s1
HMDB01505	Benzene	C1=CC=CC=C1	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
HMDB40428	2-Phenylethyl formate	O=COCCC1=CC=CC=C1	InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
HMDB37565	Artenolide	CC1C2CCC(C)(O)C3=C(C2OC1=O)C1(C)CC3C2(C1)C1CCC(C)(O)C3=CC(O)C(C)(O)C3C1OC2=O	InChI=1S/C30H40O8/c1-13-14-6-8-28(4,35)19-17-11-26(2,21(19)22(14)37-24(13)32)12-30(17)15-7-9-27(3,34)16-10-18(31)29(5,36)20(16)23(15)38-25(30)33/h10,13-15,17-18,20,22-23,31,34-36H,6-9,11-12H2,1-5H3
HMDB40429	Decanedioic acid, 9CI; Di-Et ester	CCOC(=O)CCCCCCCCC(=O)OCC	InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
HMDB30712	Furomammea G	CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=O)CC(C)C)C(O)=C12)C(C)(C)O	InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-20-13-10-15(22(4,5)26)27-21(13)18(19(25)17(12)20)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
HMDB02902	Delta-Tocopherol	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=CC(O)=C2	InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1
HMDB37567	6-beta-D-Glucopyranosyldiosmetin	COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O1)C=C(O)C(C1OC(CO)C(O)C(O)C1O)=C2O	InChI=1S/C22H22O11/c1-31-12-3-2-8(4-9(12)24)13-5-10(25)16-14(32-13)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3
HMDB02904	2,3-Dinor-TXB2	CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CC(O)=O	InChI=1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+,18?/m0/s1
HMDB33198	(5alpha,6beta,14alpha,20R,22R)-5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide	CC1=C(CO)C(=O)OC(C1)C(C)(O)C1CCC2(O)C3CC(O)C4(O)CCCC(=O)C4(C)C3CCC12C	InChI=1S/C28H42O8/c1-15-12-22(36-23(32)16(15)14-29)26(4,33)19-8-11-27(34)18-13-21(31)28(35)9-5-6-20(30)25(28,3)17(18)7-10-24(19,27)2/h17-19,21-22,29,31,33-35H,5-14H2,1-4H3
HMDB33199	(4beta,5beta,6beta,14beta,15alpha,20S,22R)-5,6-Epoxy-4,14,15-trihydroxy-1-oxowitha-2,24-dienolide	CC(C1CC(O)C2(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC(C)=C(C)C(=O)O1	InChI=1S/C28H38O7/c1-13-10-19(34-24(32)14(13)2)15(3)17-11-22(31)27(33)18-12-23-28(35-23)21(30)7-6-20(29)26(28,5)16(18)8-9-25(17,27)4/h6-7,15-19,21-23,30-31,33H,8-12H2,1-5H3
HMDB37566	Wyomin	CC1OC(OCC2OC(OC3=CC4=C(C(=O)C=C(O4)C4=CC=C(O)C(O)=C4)C(O)=C3C3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O20/c1-9-21(38)25(42)29(46)32(49-9)48-8-18-23(40)27(44)30(47)33(53-18)52-16-6-15-19(13(37)5-14(50-15)10-2-3-11(35)12(36)4-10)24(41)20(16)31-28(45)26(43)22(39)17(7-34)51-31/h2-6,9,17-18,21-23,25-36,38-47H,7-8H2,1H3
HMDB33190	15-Nonacosanone	CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC	InChI=1S/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
HMDB33191	2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione	CCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O	InChI=1S/C13H18O4/c1-6-7(14)8-9(15)12(2,3)11(17)13(4,5)10(8)16/h8H,6H2,1-5H3
HMDB33192	Neoacrimarine K	COC1=C(OC)C2=C(C=C1)C(=O)C1=C(N2C)C(C2C(OC3=C2C2=C(C=C3)C=CC(=O)O2)C(C)(C)O)=C(OC)C=C1O	InChI=1S/C31H29NO9/c1-31(2,36)30-24(23-17(40-30)10-7-14-8-12-20(34)41-28(14)23)22-19(38-5)13-16(33)21-26(22)32(3)25-15(27(21)35)9-11-18(37-4)29(25)39-6/h7-13,24,30,33,36H,1-6H3
HMDB33193	Avenanthramide L	OC(=O)C1=C(NC(=O)\C=C\C=C\C2=CC=C(O)C=C2)C=CC(O)=C1	InChI=1S/C18H15NO5/c20-13-7-5-12(6-8-13)3-1-2-4-17(22)19-16-10-9-14(21)11-15(16)18(23)24/h1-11,20-21H,(H,19,22)(H,23,24)/b3-1+,4-2+
HMDB33194	Triticusterol	CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3	InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3
HMDB33195	Camelliol C	CC(C)=CCC\C(C)=C/CC\C(C)=C\CC\C=C(\C)CCC1C(C)=CCC(O)C1(C)C	InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,20,28-29,31H,9-12,16-17,19,21-22H2,1-8H3/b24-14+,25-18-,26-15-
HMDB33196	(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one	CC(=O)\C=C\CC(C)(C)C1=CC=C(C)O1	InChI=1S/C13H18O2/c1-10(14)6-5-9-13(3,4)12-8-7-11(2)15-12/h5-8H,9H2,1-4H3/b6-5+
HMDB33197	2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione	CCCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O	InChI=1S/C14H20O4/c1-6-7-8(15)9-10(16)13(2,3)12(18)14(4,5)11(9)17/h9H,6-7H2,1-5H3
HMDB45414	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33,35,41,44,62H,4-7,9-10,12-15,18,21-24,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,44-41-
HMDB31909	Muridienin 2	CCCCCCCCCCCCCC\C=C\CC\C=C\CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h16-17,20-21,34-35H,3-15,18-19,22-33H2,1-2H3/b17-16+,21-20+
HMDB30715	MAB 4	CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=O)C(C)CC)C(O)=C12)C(C)(C)O	InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-20-13-10-14(22(4,5)26)27-21(13)17(19(25)16(12)20)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3
HMDB45415	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,62H,4-7,9-10,12-15,18,21-24,27,30-31,36-39,42,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-
HMDB31905	Chatenaytrienin 3	CCCCCCCCCCCC\C=C\CC\C=C\CC\C=C\CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h14-15,18-19,22-23,34-35H,3-13,16-17,20-21,24-33H2,1-2H3/b15-14+,19-18+,23-22+
HMDB31904	Castacrenin E	OC(=O)C1=C2C3C4OC(=O)C5C(=C(O)C(=O)C35OC2=C(O)C(O)=C1)C1=C2C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC1C4OC2=O	InChI=1S/C47H28O29/c48-10-2-7-15(29(56)25(10)52)16-8(3-11(49)26(53)30(16)57)44(68)73-36-14(5-71-42(7)66)72-43(67)9-4-12(50)27(54)31(58)17(9)19-21-20(33(60)35(62)32(19)59)22-24-46(70)74-38(39(36)75-45(21)69)23-18-6(41(64)65)1-13(51)28(55)37(18)76-47(23,24)40(63)34(22)61/h1-4,14,23-24,36,38-39,48-62H,5H2,(H,64,65)
HMDB31907	Muridienin 3	CCCCCCCCCCCCCCCC\C=C\CC\C=C\CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h18-19,22-23,34-35H,3-17,20-21,24-33H2,1-2H3/b19-18+,23-22+
HMDB31906	Muridienin 4	CCCCCCCCCCCC\C=C\CC\C=C\CCCCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h14-15,18-19,34-35H,3-13,16-17,20-33H2,1-2H3/b15-14+,19-18+
HMDB31901	Blennin A	CC1C=C2C(COC2=O)C(O)C2CC(C)(C)CC12	InChI=1S/C15H22O3/c1-8-4-9-12(7-18-14(9)17)13(16)11-6-15(2,3)5-10(8)11/h4,8,10-13,16H,5-7H2,1-3H3
HMDB31900	4,8-Dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoic acid; (2E,4Z,6E,8E,10E)-form, Me ester	COC(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=O	InChI=1S/C15H18O3/c1-13(7-4-5-12-16)8-6-9-14(2)10-11-15(17)18-3/h4-12H,1-3H3/b5-4+,8-6+,11-10+,13-7+,14-9+
HMDB31903	Castacrenin D	OC(=O)C1=CC(O)=C(O)C(O)=C1C1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C3C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O	InChI=1S/C48H30O30/c49-10-1-6(43(67)68)15(30(57)26(10)53)23-22-25-21(36(63)39(66)37(22)64)20-24-19(34(61)38(65)35(20)62)18-9(4-13(52)29(56)33(18)60)45(70)75-14-5-74-44(69)7-2-11(50)27(54)31(58)16(7)17-8(3-12(51)28(55)32(17)59)46(71)76-40(14)42(78-48(24)73)41(23)77-47(25)72/h1-4,14,23,40-42,49-66H,5H2,(H,67,68)
HMDB31902	Blennin D	CC1C=C2C(COC2=O)C(O)C2CC(C)(C)CC12O	InChI=1S/C15H22O4/c1-8-4-9-10(6-19-13(9)17)12(16)11-5-14(2,3)7-15(8,11)18/h4,8,10-12,16,18H,5-7H2,1-3H3
HMDB50005	TG(18:1(9Z)/18:2(9Z,12Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,35-36,61H,4-19,21-22,24,26,30-34,37-60H2,1-3H3/b23-20-,28-25-,35-27-,36-29-
HMDB50004	TG(18:1(9Z)/18:2(9Z,12Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,33-34,59H,4-19,21-22,24,26,30-32,35-58H2,1-3H3/b23-20-,28-25-,33-27-,34-29-
HMDB50007	TG(18:1(9Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h17,19-20,22,26-31,35,38,55H,4-16,18,21,23-25,32-34,36-37,39-54H2,1-3H3/b20-17-,22-19-,29-26-,30-27-,31-28-,38-35-
HMDB45417	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-26,28,30-32,37,40,58H,4-6,9,12-15,18,21-24,27,29,33-36,38-39,41-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-
HMDB50001	TG(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,22,26-31,55H,4-18,20-21,23-25,32-54H2,1-3H3/b22-19-,29-26-,30-27-,31-28-
HMDB50000	TG(18:1(9Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h25,27-28,35,61H,4-24,26,29-34,36-60H2,1-3H3/b28-25-,35-27-
HMDB50003	TG(18:1(9Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,31-33,35,41,44,57H,4-19,21-22,24,26,30,34,36-40,42-43,45-56H2,1-3H3/b23-20-,28-25-,31-27-,32-29-,35-33-,44-41-
HMDB45410	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28,30-32,37-38,40-41,58H,4-6,8-9,11-15,18,21-24,27,29,33-36,39,42-57H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-
HMDB50009	TG(18:1(9Z)/18:2(9Z,12Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-33,35,57H,4-15,17-18,21-22,24,26,30,34,36-56H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,32-29-,35-33-
HMDB49848	TG(18:1(9Z)/14:1(9Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24-25,27,51H,4-12,14,17,19-21,23,26,28-50H2,1-3H3/b16-13-,18-15-,24-22-,27-25-
HMDB45411	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,31-32,38,41,59H,4-6,8-9,11-13,15,18,20-22,24,27,29-30,33-37,39-40,42-58H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,32-31-,41-38-
HMDB54715	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35-37,39,56H,4-7,9-10,12-15,18,22-23,28,32-34,38,40-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-
HMDB54714	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-27,29-31,35,37,56H,4-7,9-10,12-15,18,22-23,28,32-34,36,38-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-
HMDB54717	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,39,41,44,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB54716	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,39,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-
HMDB54711	TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-
HMDB40424	2-Benzyl-3-oxobutanoic acid; ()-form, Et ester	CCOC(=O)C(CC1=CC=CC=C1)C(C)=O	InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
HMDB54713	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-41,46,49,60H,4-15,18,22-23,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-
HMDB54712	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-34,38-41,60H,4-15,18,22-23,29-30,35-37,42-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-
HMDB40425	Propyl phenylacetate	CCCOC(=O)CC1=CC=CC=C1	InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
HMDB54719	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-41,46,49,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-
HMDB54718	TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-41,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-
HMDB08992	PE(18:0/18:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38,42H2,1-2H3,(H,45,46)/b16-14-/t39-/m1/s1
HMDB08993	PE(18:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m1/s1
HMDB08990	PE(18:0/16:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37H,3-13,15,17-36,40H2,1-2H3,(H,43,44)/b16-14-/t37-/m1/s1
HMDB08991	PE(18:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
HMDB08996	PE(18:0/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,39H,3-5,7,9-11,13,15-17,19,21-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,20-18-/t39-/m1/s1
HMDB08997	PE(18:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,39H,3-5,7,9-11,13,15-17,19,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,20-18-,26-24-/t39-/m1/s1
HMDB08994	PE(18:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,39H,3-11,13,15-17,19,21-38,42H2,1-2H3,(H,45,46)/b14-12-,20-18-/t39-/m1/s1
HMDB08995	PE(18:0/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,39H,3-11,13,15-17,19,21-23,25,27-38,42H2,1-2H3,(H,45,46)/b14-12-,20-18-,26-24-/t39-/m1/s1
HMDB08998	PE(18:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)/t41-/m1/s1
HMDB08999	PE(18:0/20:1(11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,41H,3-16,18,20-40,44H2,1-2H3,(H,47,48)/b19-17-/t41-/m1/s1
HMDB48039	TG(14:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,30,54H,4-7,9-10,12-14,16,19,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,30-25-
HMDB48038	TG(14:1(9Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,36,39,45,48,58H,4-14,17,20-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-,39-36-,48-45-
HMDB57434	CL(16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,27,29,31,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB46146	TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,32,34,37,58H,4-7,10,13-16,19,22-25,28,30-31,33,35-36,38-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,32-27-,37-34-
HMDB57437	CL(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33-34,36-37,42,44,73-75,80H,5-8,10-12,14-20,22-24,27-29,31-32,35,38-41,43,45-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,30-26-,34-33-,37-36-,44-42-/t73?,74-,75-/m1/s1
HMDB06353	Dolichol phosphate	<smiles/>	InChI=1S/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/b14-9+
HMDB32249	Dodecyl butyrate	CCCCCCCCCCCCOC(=O)CCC	InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h3-15H2,1-2H3
HMDB06351	Vaccenyl carnitine	CCCCCC\C=C\CCCCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h10-11,23H,5-9,12-22H2,1-4H3/b11-10+/t23-/m0/s1
HMDB32243	N,N-Dimethylphenethylamine	CC(N(C)C)C1=CC=CC=C1	InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3
HMDB32242	(E)-3,7-Dimethyl-1,5,7-octatrien-3-ol	CC(C)=CCCC(C)(O)C#C	InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3
HMDB32241	3,7-Dimethyloctanal	CC(C)CCCC(C)CC=O	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h8-10H,4-7H2,1-3H3
HMDB32240	N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide	CC(C)=CCC\C(C)=C\CNC(=O)C1CC1	InChI=1S/C14H23NO/c1-11(2)5-4-6-12(3)9-10-15-14(16)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,15,16)/b12-9+
HMDB32247	(Z)-4-Dodecenal	CCCCCCCC\C=C\CCC=O	InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,13H,2-8,11-12H2,1H3/b10-9+
HMDB32246	Dodecanal dimethyl acetal	CCCCCCCCCCCC(OC)OC	InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h14H,4-13H2,1-3H3
HMDB32245	Divanillin	COC1=CC(C=O)=CC(=C1O)C1=CC(C=O)=CC(OC)=C1O	InChI=1S/C16H14O6/c1-21-13-5-9(7-17)3-11(15(13)19)12-4-10(8-18)6-14(22-2)16(12)20/h3-8,19-20H,1-2H3
HMDB32244	2,4-Dimethylpyridine	CC1=CC(C)=NC=C1	InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3
HMDB01340	Diguanosine tetraphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1	InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
HMDB01341	ADP	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
HMDB01342	Thymidine 5'-triphosphate	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O	InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
HMDB01343	Mevalonic acid-5P	C[C@@](O)(CCOP(O)(O)=O)CC(O)=O	InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1
HMDB01345	4-Trimethylammoniobutanal	C[N+](C)(C)CCCC=O	InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
HMDB01346	GDP-4-Dehydro-6-deoxy-D-mannose	C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@@H](O)C1=O	InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1
HMDB01347	Isopentenyl pyrophosphate	CC(=C)CCOP(O)(=O)OP(O)(O)=O	InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
HMDB01348	SM(d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/p+1/b34-32+/t39-,40+/m0/s1
HMDB01349	Selenium	[Se++]	InChI=1S/Se/q+2
HMDB06355	D-Glucurono-6,3-lactone	O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O	InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1
HMDB45252	TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,41,44,62H,4-15,18,21-24,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,44-41-
HMDB45253	TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,40-41,43-44,62H,4-15,18,21-24,27,30-31,36-39,42,45-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-
HMDB45250	TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,38-39,42,60H,4-15,18,21-24,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-
HMDB45251	TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB45256	TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30-32,37-38,40-41,58H,4-7,9-10,12-15,18,21-24,27,29,33-36,39,42-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-,41-38-
HMDB45257	TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-
HMDB45254	TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,40-41,43-44,49,52,62H,4-15,18,21-24,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-
HMDB45255	TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28,30-32,37,40,58H,4-7,9-10,12-15,18,21-24,27,29,33-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,40-37-
HMDB57431	CL(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-34,36,40,46,50,71-73,78H,5-20,22-24,27,29,31,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,32-28-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1
HMDB45258	TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-7,9-10,12-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB45259	TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,40-41,43-44,62H,4-6,8-9,11-15,18,21-24,27,30-31,36-39,42,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-
HMDB43368	TG(15:0/24:1(15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB43369	TG(15:0/24:1(15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-
HMDB46787	TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,34,37,43,46,64H,4-16,18-19,21-25,28,31-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,29-26-,30-27-,37-34-,46-43-
HMDB46786	TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29,33,35-36,41,44,62H,4-16,18-19,21-25,28,30-32,34,37-40,42-43,45-61H2,1-3H3/b20-17-,29-26-,35-33-,36-27-,44-41-
HMDB46781	TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,45,48,66H,4-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b21-18-,30-27-,39-36-,48-45-
HMDB46780	TG(22:0/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,63H,4-16,18-19,21-25,27-28,30-62H2,1-3H3/b20-17-,29-26-
HMDB46783	TG(22:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,31,33,37,40,58H,4-14,16,19,21-24,26,28-30,32,34-36,38-39,41-57H2,1-3H3/b18-15-,20-17-,27-25-,33-31-,40-37-
HMDB46782	TG(22:0/22:4(7Z,10Z,13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,37,41,47,50,68H,4-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b21-18-,30-27-,41-37-,50-47-
HMDB43360	TG(15:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,36,39,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,39-36-
HMDB43361	TG(15:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,57H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-
HMDB43362	TG(15:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,33,35,41,44,57H,4-7,9-10,12-16,18-19,21-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,35-33-,44-41-
HMDB43363	TG(15:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,37,40,59H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-37-
HMDB43364	TG(15:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-37-,49-46-
HMDB43365	TG(15:0/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-
HMDB43366	TG(15:0/24:1(15Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-
HMDB43367	TG(15:0/24:1(15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h25-26,55H,4-24,27-54H2,1-3H3/b26-25-
HMDB09645	PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,32,34,37,40,44H,3-10,12,14-16,21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB09644	PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22-23,26,28,32,34,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB09647	PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,39H,3-4,6,8-9,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
HMDB09646	PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,39H,3-4,6,8-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
HMDB09641	PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,49H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1
HMDB09640	PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,37,39,49H,3-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b14-12-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1
HMDB09643	PE(22:5(4Z,7Z,10Z,13Z,16Z)/dm18:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC	InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,32,34,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
HMDB09642	PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0)	[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC	InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,30,32,35,38,42H,3-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,26-24-,32-30-,38-35-/t42-/m1/s1
HMDB49043	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-34,38-39,41-42,47-48,50-51,60H,4-7,9-10,12-15,18,22-23,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-
HMDB09649	PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,41H,3-4,6,8-10,12,14-16,19,22-23,26-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,25-24-/t41-/m1/s1
HMDB09648	PE(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)	[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,40H,3-4,6,8-10,12,14-16,19,22,24,26-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-/t40-/m1/s1
HMDB49042	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-7,9-10,12-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-
HMDB37994	Cyanidin 3-(2G-xylosylrutinoside)	[H]OC1=C([H])C(O[H])=C2C([H])=C(OC3([H])OC([H])(C([H])([H])OC4([H])OC([H])(C([H])([H])[H])C([H])(O[H])C([H])(O[H])C4([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])OC3([H])OC([H])([H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1
HMDB37995	Cyanidin 3-sophorotrioside	OCC1OC(OC2C(OC3C(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C33H40O21/c34-7-18-21(41)24(44)27(47)31(50-18)53-30-26(46)23(43)20(9-36)52-33(30)54-29-25(45)22(42)19(8-35)51-32(29)49-17-6-12-14(39)4-11(37)5-16(12)48-28(17)10-1-2-13(38)15(40)3-10/h1-6,18-27,29-36,41-47H,7-9H2,(H3-,37,38,39,40)/p+1
HMDB37996	Cyanidin 3-laminaribioside	[H]OC1=C([H])C(O[H])=C2C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]3([H])O[H])C(=[O+]C2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C27H30O16/c28-7-17-19(34)21(36)22(37)26(41-17)43-25-20(35)18(8-29)42-27(23(25)38)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22-,23-,25+,26+,27-/m1/s1
HMDB37997	Delphinidin 3-glucoside	OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1
HMDB37990	Cyanidin 4'-glucoside	OCC1OC(OC2=CC=C(C=C2O)C2=[O+]C3=CC(O)=CC(O)=C3C=C2O)C(O)C(O)C1O	InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
HMDB37991	Cyanidin 3,4'-diglucoside	OCC1OC(OC2=CC=C(C=C2O)C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-13(14)32)25-16(6-11-12(31)4-10(30)5-15(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1
HMDB37992	Cyanidin 3-(diferuloylsophoroside) 5-glucoside	CCC1=C(C)NC2=C1C(=O)C(CN1CCCCC1)CC2	InChI=1S/C17H26N2O/c1-3-14-12(2)18-15-8-7-13(17(20)16(14)15)11-19-9-5-4-6-10-19/h13,18H,3-11H2,1-2H3
HMDB37993	Cyanidin 3-rhamnoside 5-glucoside	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(38-9)41-17-7-12-15(39-25(17)10-2-3-13(30)14(31)4-10)5-11(29)6-16(12)40-27-24(37)22(35)20(33)18(8-28)42-27/h2-7,9,18-24,26-28,32-37H,8H2,1H3,(H2-,29,30,31)/p+1
HMDB45780	TG(20:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,32,35,40,43,62H,4-15,17-18,20-24,26,29,31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,30-27-,35-32-,43-40-
HMDB45781	TG(20:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,32,35,40,43,49,52,62H,4-15,17-18,20-24,26,29,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,30-27-,35-32-,43-40-,52-49-
HMDB45782	TG(20:0/20:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,32,58H,4-8,10-11,13-17,19-20,22-25,28,30-31,33-57H2,1-3H3/b12-9-,21-18-,29-26-,32-27-
HMDB45783	TG(20:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,32,38,41,58H,4-8,10-11,13-17,19-20,22-25,28,30-31,33-37,39-40,42-57H2,1-3H3/b12-9-,21-18-,29-26-,32-27-,41-38-
HMDB37998	Delphinidin 3-arabinoside	OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	InChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17+,18-,20+/m0/s1
HMDB37999	Delphinidin 3,5-di(6-O-malonylglucoside)	OC1C(COC(=O)CC(O)=O)OC(OC2=CC3=C(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C33H34O23/c34-11-3-15-12(16(4-11)53-32-29(48)27(46)25(44)18(55-32)8-50-22(41)6-20(37)38)5-17(31(52-15)10-1-13(35)24(43)14(36)2-10)54-33-30(49)28(47)26(45)19(56-33)9-51-23(42)7-21(39)40/h1-5,18-19,25-30,32-33,44-49H,6-9H2,(H5-,34,35,36,37,38,39,40,43)/p+1
HMDB45786	TG(20:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,32,35,40,43,62H,4-6,8-9,11-15,17-18,20-24,26,29,31,33-34,36-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,35-32-,43-40-
HMDB45787	TG(20:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,30,32,35,40,43,49,52,62H,4-6,8-9,11-15,17-18,20-24,26,29,31,33-34,36-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,30-27-,35-32-,43-40-,52-49-
HMDB40556	5-Hydroxyflavone	OCC1OC(OC2=CC=CC3=C2C(=O)C=C(O3)C2=CC=CC=C2)C(O)C(O)C1O	InChI=1S/C21H20O8/c22-10-16-18(24)19(25)20(26)21(29-16)28-14-8-4-7-13-17(14)12(23)9-15(27-13)11-5-2-1-3-6-11/h1-9,16,18-22,24-26H,10H2
HMDB40557	N-g-Glutamylcysteine; L-L-form, S-(E)-1-Propenyl	C\C=C\SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+/t7-,8-/m0/s1
HMDB40555	1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene; (E)-form, 3'-O-b-D-Glucopyranoside	OCC1OC(OC2=CC(O)=CC(\C=C/C3=C(O)C=C(O)C=C3)=C2)C(O)C(O)C1O	InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1-
HMDB40552	Adlumidiceine	CN(C)CCC1=CC2=C(OCO2)C=C1CC(=O)C1=CC=C2OCOC2=C1C(O)=O	InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)
HMDB40553	Cycloartane-3,24,25-triol; (3b,24x)-form, 3-Ketone	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C	InChI=1S/C30H50O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-22,24,32-33H,8-18H2,1-7H3
HMDB51879	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,37-38,41,43,46,64H,4-7,10,13-16,19,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB40551	L-alpha-Amino-1H-pyrrole-1-hexanoic acid	NC(CCCCN1C=CC=C1)C(O)=O	InChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14)
HMDB51877	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,33,35-36,41,44,62H,4-7,10,13-16,19,22-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-
HMDB51876	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB51875	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,34,36-37,39,43,45-46,48,66H,4-8,10-11,13-15,17,20,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB51874	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,36,39,45,48,66H,4-8,10-11,13-15,17,20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB51873	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37-38,41,43,46-47,50,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB51872	TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,34,37-38,41,43,46,64H,4-7,9-10,12-16,19,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB40558	Zingerone glucoside	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CCC(C)=O)=C1	InChI=1S/C17H24O8/c1-9(19)3-4-10-5-6-11(12(7-10)23-2)24-17-16(22)15(21)14(20)13(8-18)25-17/h5-7,13-18,20-22H,3-4,8H2,1-2H3
HMDB40559	Aromadendrin 3,7-diglucoside	OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2
HMDB43098	TG(15:0/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-52H2,1-3H3/b11-8-,20-17-,29-26-
HMDB43099	TG(15:0/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-52H2,1-3H3/b11-8-,20-17-,29-26-,37-34-
HMDB43096	TG(15:0/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,35,38,57H,4-15,17-18,20-24,26,28-29,31,33-34,36-37,39-56H2,1-3H3/b19-16-,27-25-,32-30-,38-35-
HMDB43097	TG(15:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,35,38,44,47,57H,4-15,17-18,20-24,26,28-29,31,33-34,36-37,39-43,45-46,48-56H2,1-3H3/b19-16-,27-25-,32-30-,38-35-,47-44-
HMDB43094	TG(15:0/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,39,42,55H,4-15,17-18,20-24,26,28-30,32,34-38,40-41,43-54H2,1-3H3/b19-16-,27-25-,33-31-,42-39-
HMDB43095	TG(15:0/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,57H,4-15,17-18,20-24,26,28-56H2,1-3H3/b19-16-,27-25-
HMDB43092	TG(15:0/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,54H,4-13,15-16,18-22,24-25,27-53H2,1-3H3/b17-14-,26-23-
HMDB43093	TG(15:0/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,55H,4-15,17-18,20-24,26,28-30,32,34-54H2,1-3H3/b19-16-,27-25-,33-31-
HMDB43090	TG(15:0/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h20,23,28,30,54H,4-19,21-22,24-27,29,31-53H2,1-3H3/b23-20-,30-28-
HMDB43091	TG(15:0/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,53H,4-16,18-19,21-25,27-28,30-33,35-36,38-52H2,1-3H3/b20-17-,29-26-,37-34-
HMDB57432	CL(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21-22,25-27,31,33-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,28-30,32,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1
HMDB47788	TG(14:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,50H,4-6,8-9,11-14,17,20-23,26,28,30-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-
HMDB47789	TG(14:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,34,37,50H,4-6,8-9,11-14,17,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-,37-34-
HMDB47786	TG(14:1(9Z)/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,48H,4-6,8-9,11-14,17,20-23,26-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-
HMDB47787	TG(14:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,32,48H,4-6,8-9,11-14,17,20-23,26-28,30-31,33-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,32-29-
HMDB47784	TG(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,33,52H,4-14,17,20-23,26,29-30,32,34-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-31-
HMDB47785	TG(14:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,33,39,42,52H,4-14,17,20-23,26,29-30,32,34-38,40-41,43-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-31-,42-39-
HMDB47782	TG(14:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,34,37,50H,4-14,17,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-,37-34-
HMDB47783	TG(14:1(9Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,52H,4-14,17,20-23,26-51H2,1-3H3/b18-15-,19-16-,25-24-
HMDB47780	TG(14:1(9Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,49H,4-12,14,17,19-21,23,25-48H2,1-3H3/b16-13-,18-15-,24-22-
HMDB47781	TG(14:1(9Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,50H,4-14,17,20-23,26,28,30-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-
HMDB35738	(S)-Piperitone	CC(C)[C@@H]1CCC(C)=CC1=O	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1
HMDB35739	(R)-2,7(14),9-Bisabolatrien-11-ol	CC1=CCC(CC1)C(=C)C\C=C\C(C)(C)O	InChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7,11,14,16H,2,6,8-10H2,1,3-4H3/b11-5+
HMDB35732	Dukunolide D	CC12OC(=O)CC1C(C)(C)C(=O)C1(O)CC3=CCCC4(C)C(OC(=O)C(=C34)C21O)C1=COC=C1	InChI=1S/C26H28O8/c1-22(2)15-10-16(27)34-24(15,4)26(31)18-17-13(11-25(26,30)21(22)29)6-5-8-23(17,3)19(33-20(18)28)14-7-9-32-12-14/h6-7,9,12,15,19,30-31H,5,8,10-11H2,1-4H3
HMDB35733	Dukunolide E	CC12OC(=O)CC1C(C)(C)C(=O)C1(O)CC34OC3CCC3(C)C(OC(=O)C(=C43)C21O)C1=COC=C1	InChI=1S/C26H28O9/c1-21(2)13-9-15(27)35-23(13,4)26(31)16-17-22(3,18(33-19(16)28)12-6-8-32-10-12)7-5-14-24(17,34-14)11-25(26,30)20(21)29/h6,8,10,13-14,18,30-31H,5,7,9,11H2,1-4H3
HMDB35730	Camelledionol	CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2=O	InChI=1S/C29H44O3/c1-24(2)14-15-29(32)19(16-24)18-8-9-21-26(5)12-11-22(30)25(3,4)20(26)10-13-27(21,6)28(18,7)17-23(29)31/h8,19-21,32H,9-17H2,1-7H3
HMDB35731	Boric acid (H3BO3)	OB(O)O	InChI=1S/BH3O3/c2-1(3)4/h2-4H
HMDB35736	11,12-Dihydrolactaroviolin	CC(C)C1=CC2=C(C=O)C=CC2=C(C)C=C1	InChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-10H,1-3H3
HMDB35737	(R)-Piperitone	CC(C)[C@H]1CCC(C)=CC1=O	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m1/s1
HMDB35734	Aloesol; 2'-Ketone, 7-O-b-D-glucopyranoside	CC(=O)CC1=CC(=O)C2=C(C)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	InChI=1S/C19H22O9/c1-8-3-10(27-19-18(25)17(24)16(23)14(7-20)28-19)6-13-15(8)12(22)5-11(26-13)4-9(2)21/h3,5-6,14,16-20,23-25H,4,7H2,1-2H3
HMDB35735	Camellenodiol	CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2=O	InChI=1S/C29H46O3/c1-24(2)14-15-29(32)19(16-24)18-8-9-21-26(5)12-11-22(30)25(3,4)20(26)10-13-27(21,6)28(18,7)17-23(29)31/h8,19-22,30,32H,9-17H2,1-7H3
HMDB51833	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,64H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-
HMDB31295	Ethyl pentyl ketone	CCCCCC(=O)CC	InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
HMDB31294	2-Octanone	CCCCCCC(C)=O.CCCCCCC(O)=C	InChI=1S/2C8H16O/c2*1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3;9H,2-7H2,1H3
HMDB31297	2-Octenyl acetate	CCCCC\C=C/COC(C)=O	InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7-
HMDB31296	(E)-2-Octen-1-ol	CCCCC\C=C/CO	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6-
HMDB31291	Methyl caprylate	CCCCCCCC(=O)OC	InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
HMDB31290	1-Hydroxy-3-octanone	CCCCCC(=O)CCO	InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h9H,2-7H2,1H3
HMDB31293	2,3-Octanedione	CCCCCC(=O)C(C)=O	InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3
HMDB31292	Octafluorocyclobutane	FC1(F)C(F)(F)C(F)(F)C1(F)F	InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10
HMDB31299	(R)-1-Octen-3-ol	CCCCCC(O)C=C	InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
HMDB31298	(Z)-5-Octen-1-ol	CC\C=C/CCCCO	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-
HMDB54147	TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-15,18,21-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,48-45-,50-47-,52-49-
HMDB33675	L-Lysopine	CC(NC(CCCCN)C(O)=O)C(O)=O	InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)
HMDB33674	Yamogenintetroside B	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O	InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3
HMDB33677	Lycopersiconolide	CC1(O)C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC1=O	InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3
HMDB33676	()-3-Methyl-1-pentanol	CCC(C)CCO	InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
HMDB33671	2'-O-Methylglabridin	COC1=CC(O)=CC=C1C1COC2=C3C=CC(C)(C)OC3=CC=C2C1	InChI=1S/C21H22O4/c1-21(2)9-8-17-18(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(22)11-19(16)23-3/h4-9,11,14,22H,10,12H2,1-3H3
HMDB33670	1,4-Dithiane-2,5-diol	OC1CSC(O)CS1	InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
HMDB33673	6-Kestose	OCC1OC(CO)(OCC2OC(CO)(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2
HMDB33672	4'-O-Methylglabridin	COC1=CC=C(C2COC3=C4C=CC(C)(C)OC4=CC=C3C2)C(O)=C1	InChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3
HMDB41201	Panaquinquecol 7	CCCCCCCC1OC1CC#CC#CC(=O)CCO	InChI=1S/C17H24O3/c1-2-3-4-5-8-11-16-17(20-16)12-9-6-7-10-15(19)13-14-18/h16-18H,2-5,8,11-14H2,1H3
HMDB41200	Dehydroxymethylflazine	OC(=O)C1=CC2=C(NC3=C2C=CC=C3)C(=N1)C1=CC=CO1	InChI=1S/C16H10N2O3/c19-16(20)12-8-10-9-4-1-2-5-11(9)17-14(10)15(18-12)13-6-3-7-21-13/h1-8,17H,(H,19,20)
HMDB41203	Ginsenoyne A linoleate	CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(C=C)C#CC#CCC1OC1CCCCCC=C	InChI=1S/C35H52O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h5-6,12-13,15-16,32-34H,2-4,7-11,14,17-22,25,27,29-31H2,1H3/b13-12+,16-15+
HMDB41202	1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol	CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)
HMDB33679	Pelargonidin 3-sophoroside	C[C@H]1[C@H](O[C@H]2[C@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C28H32O14/c1-11-21(34)22(35)19(9-29)40-27(11)42-26-24(37)23(36)20(10-30)41-28(26)39-18-8-15-16(33)6-14(32)7-17(15)38-25(18)12-2-4-13(31)5-3-12/h2-8,11,19-24,26-30,34-37H,9-10H2,1H3,(H2-,31,32,33)/p+1/t11-,19-,20-,21-,22-,23-,24+,26-,27+,28-/m1/s1
HMDB33678	gamma-Chaconine	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3
HMDB41207	Dide-O-methylsimmondsin	OCC1OC(OC2CC(O)C(O)C(O)\C2=C/C#N)C(O)C(O)C1O	InChI=1S/C14H21NO9/c15-2-1-5-7(3-6(17)10(19)9(5)18)23-14-13(22)12(21)11(20)8(4-16)24-14/h1,6-14,16-22H,3-4H2/b5-1-
HMDB41206	Antibiotic SB 202742	CC\C=C/C\C=C\C\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC=C1	InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6+,10-9+
HMDB39736	6-Hydroxy-4,6-dimethyl-3-hepten-2-one	CC(=O)\C=C(\C)CC(C)(C)O	InChI=1S/C9H16O2/c1-7(5-8(2)10)6-9(3,4)11/h5,11H,6H2,1-4H3/b7-5-
HMDB39737	(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol	CCCCCC(O)\C=C\C=C\C#CC#CC(O)C=C	InChI=1S/C17H22O2/c1-3-5-10-14-17(19)15-12-9-7-6-8-11-13-16(18)4-2/h4,7,9,12,15-19H,2-3,5,10,14H2,1H3/b9-7+,15-12+
HMDB31129	9-Octadecenoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester	CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17+,20-18+
HMDB31128	10-Undecenal	C=CCCCCCCCCC=O	InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
HMDB39732	Uralenol	CC(C)=CCC1=C(O)C(O)=CC(=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C20H18O7/c1-9(2)3-4-10-5-11(6-14(23)17(10)24)20-19(26)18(25)16-13(22)7-12(21)8-15(16)27-20/h3,5-8,21-24,26H,4H2,1-2H3
HMDB39733	gamma-Glutamylcysteinylserine	NC(CCC(=O)NC(CS)C(=O)NC(CO)C(O)=O)C(O)=O	InChI=1S/C11H19N3O7S/c12-5(10(18)19)1-2-8(16)13-7(4-22)9(17)14-6(3-15)11(20)21/h5-7,15,22H,1-4,12H2,(H,13,16)(H,14,17)(H,18,19)(H,20,21)
HMDB39730	Prodelphinidin A2 3'-gallate	OC1C2C3=C(O)C=C(O)C=C3OC1(OC1=CC(O)=C3CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC3=C21)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C37H28O18/c38-14-7-17(40)27-24(8-14)54-37(13-5-22(45)32(49)23(46)6-13)35(50)29(27)28-25(55-37)10-16(39)15-9-26(52-36(51)12-3-20(43)31(48)21(44)4-12)33(53-34(15)28)11-1-18(41)30(47)19(42)2-11/h1-8,10,26,29,33,35,38-50H,9H2
HMDB39731	Neouralenol	CC(C)=CCC1=C(C=CC(O)=C1O)C1=C(O)C(=O)C2=C(O1)C=C(O)C(O)=C2	InChI=1S/C20H18O7/c1-9(2)3-4-10-11(5-6-13(21)17(10)24)20-19(26)18(25)12-7-14(22)15(23)8-16(12)27-20/h3,5-8,21-24,26H,4H2,1-2H3
HMDB31123	Glycerol 1,3-ditetradecanoate 2-(9Z-octadecenoate)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h23-24,46H,4-22,25-45H2,1-3H3/b24-23+
HMDB31122	Glycerol 1,3-dihexadecanoate 2-(9Z,12Z-octadecadienoate)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16+,26-25+
HMDB31121	Glycerol 1,2-dihexadecanoate 3-(9Z,12Z-octadecadienoate)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16+,26-25+
HMDB31120	Glycerol 1,2-di-(9Z-octadecenoate) 3-tetradecanoate	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h24-27,50H,4-23,28-49H2,1-3H3/b26-24+,27-25+
HMDB31127	5-Hexyltetrahydro-2-furanoctanoic acid	CCCCCCC1CCC(CCCCCCCC(O)=O)O1	InChI=1S/C18H34O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
HMDB31126	3,4-Dimethyl-5-pentyl-2-furanundecanoic acid	CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(O)=O)O1	InChI=1S/C22H38O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)
HMDB39738	Pipereicosalidine	CCC\C=C/CCCCCCCCCC\C=C\C=C\C(=O)N1CCCCC1	InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h4-5,16-17,19,22H,2-3,6-15,18,20-21,23-24H2,1H3/b5-4-,17-16+,22-19+
HMDB31124	Glycerol 1,2-didodecanoate 3-tetradecanoate	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	InChI=1S/C41H78O6/c1-4-7-10-13-16-19-20-23-25-28-31-34-40(43)46-37-38(47-41(44)35-32-29-26-22-18-15-12-9-6-3)36-45-39(42)33-30-27-24-21-17-14-11-8-5-2/h38H,4-37H2,1-3H3
HMDB44370	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,35,41,44,56H,4-16,18-19,21-24,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b20-17-,27-25-,28-26-,35-32-,44-41-
HMDB54069	TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB59441	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-47-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,50-51,54-55,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-49,52-53,56-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,54-50-,55-51-/t84?,85-,86-/m1/s1
HMDB42572	TG(14:0/20:2n6/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h13,16,22,24,48H,4-12,14-15,17-21,23,25-47H2,1-3H3/b16-13-,24-22-
HMDB42573	TG(14:0/20:2n6/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h13,16,22,24,49H,4-12,14-15,17-21,23,25-48H2,1-3H3/b16-13-,24-22-
HMDB42570	TG(14:0/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,51H,4-16,18-19,21-24,26,28-31,33-34,36-50H2,1-3H3/b20-17-,27-25-,35-32-
HMDB42571	TG(14:0/20:2n6/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2)46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3/h13,16,22-23,47H,4-12,14-15,17-21,24-46H2,1-3H3/b16-13-,23-22-
HMDB42576	TG(14:0/20:2n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,55H,4-13,15-16,18-22,24,26-54H2,1-3H3/b17-14-,25-23-
HMDB42577	TG(14:0/20:2n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,57H,4-13,15-16,18-22,24,26-56H2,1-3H3/b17-14-,25-23-
HMDB42574	TG(14:0/20:2n6/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h13,16,22,24,51H,4-12,14-15,17-21,23,25-50H2,1-3H3/b16-13-,24-22-
HMDB42575	TG(14:0/20:2n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h14,17,23,25,53H,4-13,15-16,18-22,24,26-52H2,1-3H3/b17-14-,25-23-
HMDB42578	TG(14:0/20:2n6/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-20-17-14-11-8-5-2)46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3/h13-14,16-17,22-23,47H,4-12,15,18-21,24-46H2,1-3H3/b16-13-,17-14-,23-22-
HMDB42579	TG(14:0/20:2n6/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h13,16,20,22-24,49H,4-12,14-15,17-19,21,25-48H2,1-3H3/b16-13-,23-20-,24-22-
HMDB15088	Rizatriptan	CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2	InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
HMDB15089	Dirithromycin	CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@@H]([C@@H]2C)[C@]1(C)O	InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,39+,40-,41-,42-/m1/s1
HMDB15086	Isoniazid	NNC(=O)C1=CC=NC=C1	InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
HMDB15087	Naratriptan	CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1	InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
HMDB15084	Felbamate	NC(=O)OCC(COC(N)=O)C1=CC=CC=C1	InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
HMDB15082	Fulvestrant	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])C2[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC2=CC(O)=CC=C12	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29?,30+,41?/m1/s1
HMDB15083	Mezlocillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O	InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1
HMDB15081	Phenprocoumon	CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2	InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
HMDB30906	1,4-Dimethylpyrrolo[1,2-a]pyrazine	CC1=CN=C(C)C2=CC=CN12	InChI=1S/C9H10N2/c1-7-6-10-8(2)9-4-3-5-11(7)9/h3-6H,1-2H3
HMDB38069	3,4',5,6,7-Pentahydroxyflavone; 6,7-Methylene, 3-Me ether, 4'-O-b-D-glucuronopyranoside	COC1=C(OC2=C(C(O)=C3OCOC3=C2)C1=O)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1	InChI=1S/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30)
HMDB38068	3,6-Nonadien-1-ol; (3E,6Z)-form, Ac	CC\C=C/C\C=C\CCOC(C)=O	InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4-,8-7+
HMDB38061	Triricinolein	CCCCCCC(O)C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CC(O)CCCCCC)OC(=O)CCCCCCC\C=C\CC(O)CCCCCC	InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27+
HMDB38060	Triparinarin	CC\C=C\C=C\C=C\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C/C=C/CC)OC(=O)CCCCCCC\C=C/C=C/C=C/C=C/CC	InChI=1S/C57H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-30,54H,4-6,31-53H2,1-3H3/b10-7+,11-8+,12-9+,16-13+,17-14+,18-15+,22-19+,23-20+,24-21+,28-25-,29-26+,30-27-
HMDB38063	Stigmast-4-ene-3,6-dione	CC[C@H](CC[C@@H](C)C1CCC2C3CC(=O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C	InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22?,23?,24?,25?,28-,29-/m1/s1
HMDB38062	Isomultiflorenyl acetate	CC(=O)OC1CCC2(C)C(CCC3=C2CCC2(C)C4CC(C)(C)CCC4(C)CCC32C)C1(C)C	InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h24-26H,10-20H2,1-9H3
HMDB38065	1,28-Octacosanediol diferulate	COC1=CC=C(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C2=CC=C(OC)C(O)=C2)C=C1O	InChI=1S/C48H74O8/c1-53-45-33-29-41(39-43(45)49)31-35-47(51)55-37-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-38-56-48(52)36-32-42-30-34-46(54-2)44(50)40-42/h29-36,39-40,49-50H,3-28,37-38H2,1-2H3/b35-31+,36-32+
HMDB38064	1,28-Dicaffeoyloctacosanediol	OC1=CC=C(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C46H70O8/c47-41-31-27-39(37-43(41)49)29-33-45(51)53-35-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-36-54-46(52)34-30-40-28-32-42(48)44(50)38-40/h27-34,37-38,47-50H,1-26,35-36H2/b33-29+,34-30+
HMDB38067	(3E,6Z)-3,6-Nonadien-1-ol	CC\C=C/C\C=C\CCO	InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6+
HMDB38066	Garcimangosone D	OCC1OC(OC2=C(C(=O)C3=CC=CC=C3)C(O)=CC(O)=C2)C(O)C(O)C1O	InChI=1S/C19H20O9/c20-8-13-16(24)17(25)18(26)19(28-13)27-12-7-10(21)6-11(22)14(12)15(23)9-4-2-1-3-5-9/h1-7,13,16-22,24-26H,8H2
HMDB30658	Carmine red	CC1=C(C(O)=O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)
HMDB30659	Takakin	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(O)C=C2O	InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)13-7-11(18)14-10(17)6-12(19)15(20)16(14)22-13/h2-7,17,19-20H,1H3
HMDB37608	Turmeronol A	CC(CC(=O)C=C(C)C)C1=CC=C(C)C(O)=C1	InChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3
HMDB37609	Lucidenic acid C	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C27H40O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-17,23,28-29,34H,7-12H2,1-6H3,(H,31,32)
HMDB30652	1-O-Caffeoylquinic acid	OC1CC(CC(O)C1O)(OC(=O)\C=C/C1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2-
HMDB37605	(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one	CC(O)C1=CC2(C)C(C)CCCC2CC1=O	InChI=1S/C14H22O2/c1-9-5-4-6-11-7-13(16)12(10(2)15)8-14(9,11)3/h8-11,15H,4-7H2,1-3H3
HMDB37606	13-Nor-6-eremophilene-8,11-dione	CC1CCCC2CC(=O)C(=CC12C)C(C)=O	InChI=1S/C14H20O2/c1-9-5-4-6-11-7-13(16)12(10(2)15)8-14(9,11)3/h8-9,11H,4-7H2,1-3H3
HMDB37607	Ganolucidic acid E	CC(CC\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3	InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)20-15-24(33)30(7)19-11-12-22-27(3,4)23(32)13-14-28(22,5)25(19)21(31)16-29(20,30)6/h10,17,20,22,24,33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10-
HMDB30656	Demethylcalabaxanthone	CC(C)=CCC1=C2C(=O)C3=C(OC2=CC=C1O)C=C1OC(C)(C)C=CC1=C3O	InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-16-19(13)22(26)20-18(27-16)11-17-14(21(20)25)9-10-23(3,4)28-17/h5,7-11,24-25H,6H2,1-4H3
HMDB37601	6''-Malonylapiin	OCC1(O)COC(OC2C(O)C(O)C(COC(=O)CC(O)=O)OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C1O	InChI=1S/C29H30O17/c30-10-29(40)11-42-28(26(29)39)46-25-24(38)23(37)19(9-41-21(36)8-20(34)35)45-27(25)43-14-5-15(32)22-16(33)7-17(44-18(22)6-14)12-1-3-13(31)4-2-12/h1-7,19,23-28,30-32,37-40H,8-11H2,(H,34,35)
HMDB37602	4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde	CC1=C(C=O)C(C)(C)C=C(O)C1=O	InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4-5,12H,1-3H3
HMDB37603	Eugenol O-[a-L-Arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C=CC(CC=C)=C1	InChI=1S/C21H30O11/c1-3-4-10-5-6-11(12(7-10)28-2)30-21-19(27)17(25)16(24)14(32-21)9-29-20-18(26)15(23)13(8-22)31-20/h3,5-7,13-27H,1,4,8-9H2,2H3
HMDB44371	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,31-32,34-35,40-41,43-44,56H,4-16,18-19,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
HMDB08695	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,28,30,46H,6-7,9,11-13,15,18,21,23,26-27,29,31-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,30-28-/t46-/m1/s1
HMDB08694	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28,30,46H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-/t46-/m1/s1
HMDB08697	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30,46H,6-7,9,11-13,18-19,23,27,29,31-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1
HMDB08696	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,28,30,46H,6-7,9,11-13,15,17-19,23,27,29,31-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1
HMDB08691	PC(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C45H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,43H,6-7,9,11-13,15,17-19,22,25,27,29-42H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-/t43-/m1/s1
HMDB08690	PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25,27,42H,6-7,9,11-12,17-18,21,24,26,28-41H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
HMDB08693	PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27-28,44H,6-7,9,11-13,15,18,22,25-26,29-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,28-27-/t44-/m1/s1
HMDB08692	PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27-28,44H,6-7,9,11-13,15,17-19,22,25-26,29-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-27-/t44-/m1/s1
HMDB08699	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30,46H,6-7,12-13,18-19,23,27,29,31-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1
HMDB08698	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30-31,33,46H,6-7,9,11-13,18-19,23,27,29,32,34-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1
HMDB08529	PC(22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1
HMDB08528	PC(22:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
HMDB08523	PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25,27,31,33,38,41,45H,6-7,9,11-13,15,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-,33-31-,41-38-
HMDB08522	PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,41-38-
HMDB08521	PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,39-36-
HMDB08520	PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,30,32,36,38,50H,6-8,10,12-14,16,18-19,24-29,31,33-35,37,39-49H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,32-30-,38-36-/t50-/m1/s1
HMDB08527	PC(22:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1
HMDB08526	PC(22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13,15,42H,6-12,14,16-41H2,1-5H3/b15-13-/t42-/m1/s1
HMDB08525	PC(22:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
HMDB08524	PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,33-31-,41-38-
HMDB46369	TG(22:0/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,62H,4-16,18-19,21-25,27-28,30-35,37-38,40-61H2,1-3H3/b20-17-,29-26-,39-36-
HMDB54060	TG(20:4(5Z,8Z,11Z,14Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,36,42,45,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,36-33-,45-42-
HMDB36559	(-)-beta-Pinene	CC1(C)[C@@H]2C[C@H]1C(=C)CC2	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
HMDB36558	(S)-Verimol F	COC1=CC=C(C=C1)C(C(C)O)C1=CC=C(OC)C=C1	InChI=1S/C17H20O3/c1-12(18)17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3
HMDB36557	MS 3	CC(C)=CCC1=C(O)C(CO)=C(CO)C=C1OC(=O)C1=C(O)C=C(O)C=C1C	InChI=1S/C21H24O7/c1-11(2)4-5-15-18(7-13(9-22)16(10-23)20(15)26)28-21(27)19-12(3)6-14(24)8-17(19)25/h4,6-8,22-26H,5,9-10H2,1-3H3
HMDB36556	Glycyrrhizaisoflavone B	COC1=C2C(=O)C(=COC2=CC(O)=C1)C1=CC2=C(OC(C)(C)C=C2)C(O)=C1	InChI=1S/C21H18O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-10,22-23H,1-3H3
HMDB36555	Glycyrrhizaisoflavone A	CC1(C)OC2=C(CC1O)C=C(C=C2O)C1=COC2=CC(O)=CC(O)=C2C1=O	InChI=1S/C20H18O7/c1-20(2)16(24)5-10-3-9(4-14(23)19(10)27-20)12-8-26-15-7-11(21)6-13(22)17(15)18(12)25/h3-4,6-8,16,21-24H,5H2,1-2H3
HMDB36553	Cyclolinopeptide H	CCC(C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC1=O	InChI=1S/C56H75N9O9S2/c1-7-35(4)48-55(72)58-41(25-28-76(6)74)49(66)60-43(29-34(2)3)50(67)59-42(24-27-75-5)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43-,44-,45-,46-,47-,48-,76?/m0/s1
HMDB36552	Cyclolinopeptide I	CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(C)C	InChI=1S/C55H73N9O9S2/c1-33(2)28-42-49(66)58-41(24-27-75(6)73)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(23-26-74-5)48(65)59-42/h7-14,16-21,32-34,40-47,56H,15,22-31H2,1-6H3,(H,57,71)(H,58,66)(H,59,65)(H,60,68)(H,61,67)(H,62,70)(H,63,69)/t40-,41-,42-,43-,44-,45-,46-,47-,75?/m0/s1
HMDB36551	Cyclolinopeptide G	CCC(C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC1=O	InChI=1S/C56H75N9O10S2/c1-7-35(4)48-55(72)58-41(24-27-76(5)74)49(66)60-43(29-34(2)3)50(67)59-42(25-28-77(6)75)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43-,44-,45-,46-,47-,48-,76?,77?/m0/s1
HMDB36550	3-Ketoapotrichothecene	CC1=CC2OC3(CO)CC(=O)CC3(C)C2(C)CC1	InChI=1S/C15H22O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,12,16H,4-5,7-9H2,1-3H3
HMDB46368	TG(22:0/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,61H,4-14,16-17,19-23,25-26,28-60H2,1-3H3/b18-15-,27-24-
HMDB14763	Efavirenz	FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1	InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
HMDB46242	TG(20:0/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C60H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-58(63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)56-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,29,32,58H,4-19,21-22,24-28,30-31,33-57H2,1-3H3/b23-20-,32-29-
HMDB54066	TG(20:4(5Z,8Z,11Z,14Z)/20:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,42,45,59H,4-15,17-18,20-24,26-27,29-32,34-35,37-41,43-44,46-58H2,1-3H3/b19-16-,28-25-,36-33-,45-42-
HMDB58650	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB58651	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB58652	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-37,40-44,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,38-39,45-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB58653	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB58654	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-38,41-46,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27-32,39-40,47-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB58655	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-39,42-47,51,53,55,57,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35,40-41,48-50,52,54,56,58-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,46-36-,47-39-,55-51-,57-53-/t84?,85-,86-/m1/s1
HMDB58656	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-47,49,52-54,56,58,61,65,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,48,50-51,55,57,59-60,62-64,66-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-/t85?,86-,87-/m1/s1
HMDB13667	Yttrium	<smiles/>	InChI=1S/Y
HMDB13668	Ruthenium	[Ru]	InChI=1S/Ru
HMDB13669	Cesium	[Cs]	InChI=1S/Cs
HMDB46243	TG(20:0/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,27,31,37,40,57H,4-17,19-20,22-26,28-30,32-36,38-39,41-56H2,1-3H3/b21-18-,31-27-,40-37-
HMDB15509	Ethylmorphine	[H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O	InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
HMDB15508	Fencamfamine	CCNC1C2CCC(C2)C1C1=CC=CC=C1	InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3
HMDB15503	Antipyrine	CN1N(C(=O)C=C1C)C1=CC=CC=C1	InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
HMDB15502	Methadyl Acetate	[H]C1=C([H])C([H])=C(C([H])=C1[H])C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])C([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(OC(=O)C([H])([H])[H])C([H])([H])C([H])([H])[H]	InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3
HMDB15500	Allylestrenol	[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]	InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
HMDB15507	Gamma Hydroxybutyric Acid	OCCCC([O-])=O	InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/p-1
HMDB15506	Phenazopyridine	NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1	InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+
HMDB15505	Glutethimide	CCC1(CCC(=O)NC1=O)C1=CC=CC=C1	InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)
HMDB15504	Alfacalcidol	CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C	InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
HMDB12043	Ganglioside GT2 (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C92H160N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(112)96-55(56(107)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)49-127-85-76(119)75(118)78(64(47-101)129-85)131-86-77(120)83(79(65(48-102)130-86)132-84-54(39-50(3)103)70(113)72(115)61(44-98)128-84)138-92(89(125)126)42-59(110)69(95-53(6)106)82(137-92)74(117)63(46-100)134-91(88(123)124)41-58(109)68(94-52(5)105)81(136-91)73(116)62(45-99)133-90(87(121)122)40-57(108)67(93-51(4)104)80(135-90)71(114)60(111)43-97/h35,37,54-65,67-86,97-102,107-111,113-120H,7-34,36,38-49H2,1-6H3,(H,93,104)(H,94,105)(H,95,106)(H,96,112)(H,121,122)(H,123,124)(H,125,126)/b37-35+/t54-,55+,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82?,83-,84+,85-,86+,90-,91-,92+/m1/s1
HMDB12042	Ganglioside GT2 (d18:1/18:1(9Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C90H154N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h21-22,33,35,52-63,65-84,95-100,105-109,111-118H,7-20,23-32,34,36-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b22-21-,35-33+/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1
HMDB12041	Ganglioside GT2 (d18:1/18:1(11Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C90H154N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h17,19,33,35,52-63,65-84,95-100,105-109,111-118H,7-16,18,20-32,34,36-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b19-17-,35-33+/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1
HMDB12040	Ganglioside GT2 (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C90H156N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(110)94-53(54(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-125-83-74(117)73(116)76(62(45-99)127-83)129-84-75(118)81(77(63(46-100)128-84)130-82-52(37-48(3)101)68(111)70(113)59(42-96)126-82)136-90(87(123)124)40-57(108)67(93-51(6)104)80(135-90)72(115)61(44-98)132-89(86(121)122)39-56(107)66(92-50(5)103)79(134-89)71(114)60(43-97)131-88(85(119)120)38-55(106)65(91-49(4)102)78(133-88)69(112)58(109)41-95/h33,35,52-63,65-84,95-100,105-109,111-118H,7-32,34,36-47H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b35-33+/t52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80?,81-,82+,83-,84+,88-,89-,90+/m1/s1
HMDB12047	Ganglioside GT2 (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C96H168N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(116)100-59(60(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-131-89-80(123)79(122)82(68(51-105)133-89)135-90-81(124)87(83(69(52-106)134-90)136-88-58(43-54(3)107)74(117)76(119)65(48-102)132-88)142-96(93(129)130)46-63(114)73(99-57(6)110)86(141-96)78(121)67(50-104)138-95(92(127)128)45-62(113)72(98-56(5)109)85(140-95)77(120)66(49-103)137-94(91(125)126)44-61(112)71(97-55(4)108)84(139-94)75(118)64(115)47-101/h39,41,58-69,71-90,101-106,111-115,117-124H,7-38,40,42-53H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/b41-39+/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87-,88+,89-,90+,94-,95-,96+/m1/s1
HMDB12046	Ganglioside GT2 (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C95H166N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-69(115)99-58(59(110)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)52-130-88-79(122)78(121)81(67(50-104)132-88)134-89-80(123)86(82(68(51-105)133-89)135-87-57(42-53(3)106)73(116)75(118)64(47-101)131-87)141-95(92(128)129)45-62(113)72(98-56(6)109)85(140-95)77(120)66(49-103)137-94(91(126)127)44-61(112)71(97-55(5)108)84(139-94)76(119)65(48-102)136-93(90(124)125)43-60(111)70(96-54(4)107)83(138-93)74(117)63(114)46-100/h38,40,57-68,70-89,100-105,110-114,116-123H,7-37,39,41-52H2,1-6H3,(H,96,107)(H,97,108)(H,98,109)(H,99,115)(H,124,125)(H,126,127)(H,128,129)/b40-38+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,70-,71-,72-,73-,74-,75+,76-,77-,78-,79-,80-,81-,82+,83?,84?,85?,86-,87+,88-,89+,93-,94-,95+/m1/s1
HMDB12045	Ganglioside GT2 (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C94H162N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(114)98-57(58(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-129-87-78(121)77(120)80(66(49-103)131-87)133-88-79(122)85(81(67(50-104)132-88)134-86-56(41-52(3)105)72(115)74(117)63(46-100)130-86)140-94(91(127)128)44-61(112)71(97-55(6)108)84(139-94)76(119)65(48-102)136-93(90(125)126)43-60(111)70(96-54(5)107)83(138-93)75(118)64(47-101)135-92(89(123)124)42-59(110)69(95-53(4)106)82(137-92)73(116)62(113)45-99/h21-22,37,39,56-67,69-88,99-104,109-113,115-122H,7-20,23-36,38,40-51H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/b22-21-,39-37+/t56-,57+,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85-,86+,87-,88+,92-,93-,94+/m1/s1
HMDB12044	Ganglioside GT2 (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C94H164N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(114)98-57(58(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-129-87-78(121)77(120)80(66(49-103)131-87)133-88-79(122)85(81(67(50-104)132-88)134-86-56(41-52(3)105)72(115)74(117)63(46-100)130-86)140-94(91(127)128)44-61(112)71(97-55(6)108)84(139-94)76(119)65(48-102)136-93(90(125)126)43-60(111)70(96-54(5)107)83(138-93)75(118)64(47-101)135-92(89(123)124)42-59(110)69(95-53(4)106)82(137-92)73(116)62(113)45-99/h37,39,56-67,69-88,99-104,109-113,115-122H,7-36,38,40-51H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/b39-37+/t56-,57+,58-,59+,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84?,85-,86+,87-,88+,92-,93-,94+/m1/s1
HMDB12049	Ganglioside GT2 (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C97H170N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-71(117)101-60(61(112)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)54-132-90-81(124)80(123)83(69(52-106)134-90)136-91-82(125)88(84(70(53-107)135-91)137-89-59(44-55(3)108)75(118)77(120)66(49-103)133-89)143-97(94(130)131)47-64(115)74(100-58(6)111)87(142-97)79(122)68(51-105)139-96(93(128)129)46-63(114)73(99-57(5)110)86(141-96)78(121)67(50-104)138-95(92(126)127)45-62(113)72(98-56(4)109)85(140-95)76(119)65(116)48-102/h40,42,59-70,72-91,102-107,112-116,118-125H,7-39,41,43-54H2,1-6H3,(H,98,109)(H,99,110)(H,100,111)(H,101,117)(H,126,127)(H,128,129)(H,130,131)/b42-40+/t59-,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85?,86?,87?,88-,89+,90-,91+,95-,96-,97+/m1/s1
HMDB12048	Ganglioside GT2 (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C96H166N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(116)100-59(60(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-131-89-80(123)79(122)82(68(51-105)133-89)135-90-81(124)87(83(69(52-106)134-90)136-88-58(43-54(3)107)74(117)76(119)65(48-102)132-88)142-96(93(129)130)46-63(114)73(99-57(6)110)86(141-96)78(121)67(50-104)138-95(92(127)128)45-62(113)72(98-56(5)109)85(140-95)77(120)66(49-103)137-94(91(125)126)44-61(112)71(97-55(4)108)84(139-94)75(118)64(115)47-101/h21-22,39,41,58-69,71-90,101-106,111-115,117-124H,7-20,23-38,40,42-53H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/b22-21-,41-39+/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87-,88+,89-,90+,94-,95-,96+/m1/s1
HMDB29405	Neobetanin	OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3C=C(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O	InChI=1S/C24H24N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-4,6-7,14,17-20,24,27,29-31H,5,8H2,(H4,28,32,33,34,35,36,37)
HMDB29404	a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid, 9CI; (S)-form, N2-b-D-Glucosyl	NC(CC1=CN(OC1=O)C1OC(CO)C(O)C(O)C1O)C(O)=O	InChI=1S/C12H18N2O9/c13-5(11(19)20)1-4-2-14(23-12(4)21)10-9(18)8(17)7(16)6(3-15)22-10/h2,5-10,15-18H,1,3,13H2,(H,19,20)
HMDB29407	Betanidin	OC(=O)C1C\C(=C/C=[N+]2\C(CC3=CC(O)=C(O)C=C23)C([O-])=O)C=C(N1)C(O)=O	InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H5,21,22,23,24,25,26,27,28)
HMDB29406	Amaranthin	OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O	InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)
HMDB29401	Ochratoxin B	CC1CC2=CC=C(C(=O)NC(CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1	InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)
HMDB29400	Ochratoxin C	CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C2CC(C)OC(=O)C2=C1O	InChI=1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)
HMDB29403	Oxypinnatanine	NC(CC(O)C(=O)NC1OCC=C1CO)C(O)=O	InChI=1S/C10H16N2O6/c11-6(10(16)17)3-7(14)8(15)12-9-5(4-13)1-2-18-9/h1,6-7,9,13-14H,2-4,11H2,(H,12,15)(H,16,17)
HMDB29402	L-2-Amino-3-(oxalylamino)propanoic acid	NC(CNC(=O)C(O)=O)C(O)=O	InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)
HMDB53129	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,36,42,45,62H,4-15,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB53128	TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34-35,38,40,43-44,47,60H,4-15,22-24,30-33,36-37,39,41-42,45-46,48-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-,47-44-
HMDB29409	Turicine	C[N+]1(C)C[C@H](O)C[C@@H]1C([O-])=O	InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6-/m1/s1
HMDB29408	Betanin	OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O	InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)
HMDB49004	TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32,34,36-37,39,43,46,58H,4-6,9,12-15,18,22-23,29,31,33,35,38,40-42,44-45,47-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,46-43-
HMDB37389	(R)-2-Acetoxy-p-mentha-1,8-diene	CC(=C)C1CCC(C)=C(C1)OC(C)=O	InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11H,1,5-7H2,2-4H3
HMDB37388	Tsibulin 2	CCCCCCC1CC(=O)CC1=O	InChI=1S/C11H18O2/c1-2-3-4-5-6-9-7-10(12)8-11(9)13/h9H,2-8H2,1H3
HMDB37381	Physangulide	CC(O)(C1CCC2C3CC4OC44C(O)C(O)CC(=O)C4(C)C3CCC12C)C1CC(C)(O)C(C)(O)C(=O)O1	InChI=1S/C28H42O9/c1-23-9-8-15-13(10-19-28(37-19)21(31)16(29)11-18(30)25(15,28)3)14(23)6-7-17(23)26(4,34)20-12-24(2,33)27(5,35)22(32)36-20/h13-17,19-21,29,31,33-35H,6-12H2,1-5H3
HMDB37380	(6alpha,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4=CC(=O)CCC4(C)C3CCC12C	InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24,26,30H,9-14H2,1-6H3/b8-7+
HMDB37383	Withangulatin A	CC(C1CC(C)=C(C)C(=O)O1)C1=CC(OC(C)=O)C2(O)C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C	InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3
HMDB37382	(3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one	CC(C\C=C\C(C)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C29H46O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-24,31H,8,10-18H2,1-6H3/b9-7+
HMDB37385	8-Mercapto-p-menthan-3-one	CC1CCC(C(=O)C1)C(C)(C)S	InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
HMDB37384	Granatin B	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC3C2OC(=O)C2=CC(O)=C(O)C4=C2C2C(=CC(=O)C(O)(O4)C2(O)O)C(=O)OC13	InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-37(57)11-5-17(46)27(51)31-22(11)23-12(38(58)66-33)6-19(47)41(61,68-31)40(23,59)60)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2
HMDB37387	(1S,3R,4R)-p-Menthane-1,3-diol	CC(C)C1CCC(C)(O)CC1O	InChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h7-9,11-12H,4-6H2,1-3H3
HMDB37386	Menthone 8-thioacetate	CC1CCC(C(=O)C1)C(C)(C)SC(C)=O	InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3
HMDB57237	CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,43-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,27-32,35-36,39-42,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,47-43-,48-44-,59-55-,60-56-/t80-,81-/m1/s1
HMDB14678	Gadoversetamide	[Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O	InChI=1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3
HMDB14679	Toremifene	CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1	InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-
HMDB14672	Cyclophosphamide	ClCCN(CCCl)P1(=O)NCCCO1	InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
HMDB14673	Mephenytoin	CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1	InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
HMDB14670	Foscarnet	OC(=O)P(O)(O)=O	InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
HMDB14671	Erlotinib	COCCOC1=C(OCCOC)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1	InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
HMDB14677	Ciprofloxacin	OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O	InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
HMDB14674	Chlormerodrin	COC(CNC(N)=O)C[Hg]Cl	InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1
HMDB14675	Cefdinir	[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O	InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
HMDB00699	1-Methylnicotinamide	C[N+]1=CC=CC(=C1)C(N)=O	InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
HMDB00698	Lithocholic acid glycine conjugate	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
HMDB00695	Ketoleucine	CC(C)CC(=O)C(O)=O	InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
HMDB00694	L-2-Hydroxyglutaric acid	O[C@@H](CCC(O)=O)C(O)=O	InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
HMDB00697	Isocoproporphyrin	CCC1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C	InChI=1S/C36H38N4O8/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-16-,31-15-,32-16-
HMDB00696	L-Methionine	CSCC[C@H](N)C(O)=O	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
HMDB00691	Malonic acid	OC(=O)CC(O)=O	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
HMDB00693	Heparan sulfate	<smiles/>	InChI=1S/C14H24NO21S3/c1-29-9-7(17)10(35-38(23,24)25)14(34-11(9)12(18)19)33-8-4(3-31-37(20,21)22)32-13(30-2)5(6(8)16)15-36-39(26,27)28/h4-11,13-15,17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)/q-1/p-1/t4-,5-,6-,7+,8-,9+,10-,11-,13+,14+/m0/s1
HMDB00692	Iron	[Fe++]	InChI=1S/Fe/q+2
HMDB11532	MG(0:0/15:0/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-17(15-19)16-20/h17,19-20H,2-16H2,1H3
HMDB11533	MG(0:0/16:0/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
HMDB11530	MG(0:0/14:0/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC	InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h16,18-19H,2-15H2,1H3
HMDB11531	MG(0:0/14:1(9Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-
HMDB11536	MG(0:0/18:1(11Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-
HMDB11537	MG(0:0/18:1(9Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
HMDB11534	MG(0:0/16:1(9Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-
HMDB11535	MG(0:0/18:0/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
HMDB06226	24R,25-Dihydroxyvitamin D3	C[C@H](CC[C@@H](O)C(O)(C)C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24?,25-,27-/m1/s1
HMDB06227	1-a,24R,25-Trihydroxyvitamin D2	C[C@H](\C=C\[C@@](C)(O)C(C)(O)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C	InChI=1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1
HMDB11538	MG(0:0/18:2(9Z,12Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
HMDB11539	MG(0:0/18:3(6Z,9Z,12Z)/0:0)	[H]C(CO)(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,12-13,20,22-23H,2-5,8,11,14-19H2,1H3/b7-6-,10-9-,13-12-
HMDB57235	CL(18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,60,64,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-,64-60-/t81?,82-,83-/m1/s1
HMDB06220	13-cis-Retinal	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
HMDB06221	13-cis Retinol	C\C(=C\CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
HMDB52652	TG(18:2(9Z,12Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17-19,21-23,26-28,30-31,36,39,56H,4-13,15-16,20,24-25,29,32-35,37-38,40-55H2,1-3H3/b17-14-,21-18-,22-19-,26-23-,30-27-,31-28-,39-36-
HMDB52653	TG(18:2(9Z,12Z)/20:2n6/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,15-16,18,20,22-25,27,29,32,57H,4-12,14,17,19,21,26,28,30-31,33-56H2,1-3H3/b16-13-,18-15-,23-20-,25-22-,27-24-,32-29-
HMDB52650	TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h18-19,21-22,27-28,30-31,37,40,56H,4-17,20,23-26,29,32-36,38-39,41-55H2,1-3H3/b21-18-,22-19-,30-27-,31-28-,40-37-
HMDB52651	TG(18:2(9Z,12Z)/20:2n6/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18-20,22-24,27-29,31-32,57H,4-14,16-17,21,25-26,30,33-56H2,1-3H3/b18-15-,22-19-,23-20-,27-24-,31-28-,32-29-
HMDB52656	TG(18:2(9Z,12Z)/20:2n6/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-29,34,60H,4-14,17,21-22,26,30-33,35-59H2,1-3H3/b18-15-,19-16-,23-20-,27-24-,28-25-,34-29-
HMDB52657	TG(18:2(9Z,12Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-29,32-34,38,41,60H,4-14,17,21-22,26,30-31,35-37,39-40,42-59H2,1-3H3/b18-15-,19-16-,23-20-,27-24-,28-25-,33-32-,34-29-,41-38-
HMDB52654	TG(18:2(9Z,12Z)/20:2n6/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-29,32,34,36,58H,4-14,17,21-22,26,30-31,33,35,37-57H2,1-3H3/b18-15-,19-16-,23-20-,27-24-,28-25-,32-29-,36-34-
HMDB52655	TG(18:2(9Z,12Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-29,32,34,36,42,45,58H,4-14,17,21-22,26,30-31,33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,19-16-,23-20-,27-24-,28-25-,32-29-,36-34-,45-42-
HMDB52658	TG(18:2(9Z,12Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,27-29,32-34,38,41,47,50,60H,4-14,17,21-22,26,30-31,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b18-15-,19-16-,23-20-,27-24-,28-25-,33-32-,34-29-,41-38-,50-47-
HMDB52659	TG(18:2(9Z,12Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-19,21-23,26-28,30-31,56H,4-8,10-11,13,15-16,20,24-25,29,32-55H2,1-3H3/b12-9-,17-14-,21-18-,22-19-,26-23-,30-27-,31-28-
HMDB55608	TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,40,43-44,47,66H,4-7,10,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-
HMDB55609	TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-7,10,13-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-
HMDB57234	CL(18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB12368	PS(16:1(9Z)/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,36-37H,3-13,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-,18-17-/t36-,37+/m1/s1
HMDB06594	Disialyllacto-N-tetraose	[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO	InChI=1S/C48H79N3O37/c1-12(57)49-23-15(60)4-47(45(74)75,86-37(23)26(64)17(62)6-52)78-11-22-30(68)36(25(51-14(3)59)42(82-22)85-39-28(66)19(8-54)80-43(33(39)71)83-35-21(10-56)79-41(73)32(70)31(35)69)84-44-34(72)40(29(67)20(9-55)81-44)88-48(46(76)77)5-16(61)24(50-13(2)58)38(87-48)27(65)18(63)7-53/h15-44,52-56,60-73H,4-11H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)(H,74,75)(H,76,77)/t15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41?,42-,43-,44-,47+,48-/m0/s1
HMDB06595	Alpha-Trisaccharide	C[C@@H]1O[C@@H](OC[C@@](C)(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C20H37NO14/c1-7-12(26)15(29)16(30)19(33-7)32-6-20(3,17(31)9(25)4-22)35-18-11(21-8(2)24)14(28)13(27)10(5-23)34-18/h7,9-19,22-23,25-31H,4-6H2,1-3H3,(H,21,24)/t7-,9+,10+,11+,12+,13-,14+,15+,16-,17-,18+,19+,20+/m0/s1
HMDB07266	DG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,41,44H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m0/s1
HMDB06590	2-O-a-L-Fucopyranosyl-galactose	C[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C12H22O10/c1-4-7(16)10(19)11(20)12(21-4)22-6(3-14)9(18)8(17)5(15)2-13/h3-13,15-20H,2H2,1H3/t4-,5+,6-,7+,8-,9+,10+,11-,12-/m0/s1
HMDB06591	Lactosamine	N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	InChI=1S/C12H23NO10/c13-4(1-14)7(18)11(5(17)2-15)23-12-10(21)9(20)8(19)6(3-16)22-12/h1,4-12,15-21H,2-3,13H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
HMDB06592	Lacto-N-triaose	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C20H35NO16/c1-6(26)21-11-15(32)13(30)9(4-24)34-19(11)37-18-14(31)10(5-25)35-20(16(18)33)36-17(8(28)3-23)12(29)7(27)2-22/h2,7-20,23-25,27-33H,3-5H2,1H3,(H,21,26)/t7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-/m0/s1
HMDB06593	Sialyllacto-N-neotetraose c	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@]([H])(O[C@@H]3OC(CO[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-23(53)26(56)27(57)34(64-18)66-30-17(8-44)63-33(20(25(30)55)39-11(2)46)67-32-24(54)16(7-43)62-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18?,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1
HMDB52380	TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,38,43,46,52,55,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36-37,39-42,44-45,47-51,53-54,56-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,38-35-,46-43-,55-52-
HMDB52381	TG(24:1(15Z)/o-18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-65-67(72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)66-74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,67H,4-24,27,30-66H2,1-3H3/b28-25-,29-26-
HMDB52382	TG(24:1(15Z)/o-18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C64H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-40-43-46-49-52-55-58-64(66)69-61-62(67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)60-68-63(65)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h20,23,25,28-29,36,62H,4-19,21-22,24,26-27,30-35,37-61H2,1-3H3/b23-20-,28-25-,36-29-
HMDB52383	TG(24:1(15Z)/o-18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)59-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,35,41,44,61H,4-17,19-20,22-24,26,29-34,36-40,42-43,45-60H2,1-3H3/b21-18-,28-25-,35-27-,44-41-
HMDB06598	Isoglobotriaose	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])C[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C19H34O15/c20-2-6-1-9(13(28)15(30)11(6)26)32-18-14(29)10(5-23)33-19(16(18)31)34-17(8(25)4-22)12(27)7(24)3-21/h3,6-20,22-31H,1-2,4-5H2/t6-,7+,8-,9+,10-,11+,12-,13+,14+,15+,16-,17-,18+,19+/m1/s1
HMDB06599	3-Galactosyllactose	OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)[C@H](O)[C@@H](O)C=O	InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)16(11(27)8(4-22)32-18)34-17-13(29)12(28)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10-,11-,12-,13+,14+,15+,16-,17-,18-/m0/s1
HMDB52386	TG(24:1(15Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,46,49,63H,4-16,18-19,21-24,27,30-36,38-39,41-45,47-48,50-62H2,1-3H3/b20-17-,28-25-,29-26-,40-37-,49-46-
HMDB52387	TG(24:1(15Z)/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,65H,4-16,18-19,21-24,27,30-64H2,1-3H3/b20-17-,28-25-,29-26-
HMDB07089	DG(15:0/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,38,41H,3-10,12,14-16,19,22,24,26-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-/t38-/m0/s1
HMDB57232	CL(18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C90H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2)83-105-109(98,99)103-79-84(91)78-102-108(96,97)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-27,31,33-34,37-39,42-45,47,51,53,55,57,65,69,84-86,91H,5-8,10-12,14-20,23-24,28-30,32,35-36,40-41,46,48-50,52,54,56,58-64,66-68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,69-65-/t84?,85-,86-/m1/s1
HMDB12366	PS(16:1(9Z)/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,34-35H,3-12,17-33,39H2,1-2H3,(H,42,43)(H,44,45)/b15-13-,16-14-/t34-,35+/m1/s1
HMDB48789	TG(16:1(9Z)/20:2n6/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,21-22,24-26,28,53H,4-12,14-15,17-20,23,27,29-52H2,1-3H3/b16-13-,24-21-,25-22-,28-26-
HMDB12367	PS(16:1(9Z)/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,36-37H,3-13,15,17-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-/t36-,37+/m1/s1
HMDB48788	TG(16:1(9Z)/20:2n6/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,20-25,53H,4-12,14-15,17-19,26-52H2,1-3H3/b16-13-,23-20-,24-21-,25-22-
HMDB57231	CL(18:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C87H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,48,52,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-47,49-51,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,52-48-/t81?,82-,83-/m1/s1
HMDB07171	DG(18:0/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,39,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3/b7-5-,13-11-,19-17-,24-22-/t39-/m0/s1
HMDB07170	DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,24-22-,30-28-/t39-/m0/s1
HMDB07173	DG(18:0/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3/t41-/m0/s1
HMDB07172	DG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,39,42H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-/t39-/m0/s1
HMDB07175	DG(18:0/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,41,44H,3-10,12,14-16,18,20-40H2,1-2H3/b13-11-,19-17-/t41-/m0/s1
HMDB07174	DG(18:0/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-/t41-/m0/s1
HMDB07177	DG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,41,44H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b13-11-,19-17-,22-21-,28-26-,34-32-/t41-/m0/s1
HMDB07176	DG(18:0/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,41,44H,3-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3/b13-11-,19-17-,22-21-,28-26-/t41-/m0/s1
HMDB07179	DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-/m0/s1
HMDB07178	DG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,28-26-/t41-/m0/s1
HMDB54557	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37-38,41,43,46-47,50,64H,4-8,10-11,13-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-
HMDB54556	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,37-38,41,43,46,64H,4-8,10-11,13-15,22-24,31-33,35-36,39-40,42,44-45,47-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-
HMDB54555	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,33,35-36,41-42,44-45,62H,4-8,10-11,13-15,22-24,30-32,34,37-40,43,46-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-
HMDB54554	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,33,35-36,41,44,62H,4-8,10-11,13-15,22-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-
HMDB54553	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-15,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB54552	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,43,45-46,48,66H,4-15,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB54551	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,36,39,45,48,66H,4-15,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB54550	TG(22:2(13Z,16Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,63H,4-15,18,21-24,27,30-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-
HMDB49674	TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-21,24-26,28,30-32,37,40,46,49,58H,4-6,9,12-15,18,22-23,27,29,33-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,49-46-
HMDB54559	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,52,55,66H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-
HMDB54558	TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34,36-37,39,43,45-46,48,66H,4-6,8-9,11-15,22-24,31-33,35,38,40-42,44,47,49-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB42226	TG(14:0/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-27-25-23-20-17-14-11-8-5-2/h20,23,27,31,55H,4-19,21-22,24-26,28-30,32-54H2,1-3H3/b23-20-,31-27-
HMDB42227	TG(14:0/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,35,38,54H,4-16,18-19,21-24,26-29,31-34,36-37,39-53H2,1-3H3/b20-17-,30-25-,38-35-
HMDB48787	TG(16:1(9Z)/20:2n6/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h13,16,20-25,51H,4-12,14-15,17-19,26-50H2,1-3H3/b16-13-,23-20-,24-21-,25-22-
HMDB42224	TG(14:0/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,58H,4-23,25,27-57H2,1-3H3/b26-24-
HMDB48786	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,53H,4-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,24-21-,28-26-,37-34-
HMDB10379	LysoPC(14:0)	[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1
HMDB10378	5,8,11-Eicosatrienoic acid	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-
HMDB10373	CE(20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1	InChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h14-15,17-18,20-21,28,37-38,40-44H,7-13,16,19,22-27,29-36H2,1-6H3/b15-14-,18-17-,21-20-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1
HMDB10372	CE(22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1	InChI=1S/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1
HMDB10371	CE(20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,28,37-38,40-44H,7,10,13,16,19-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1
HMDB10370	CE(18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1	InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
HMDB10376	CE(24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C51H92O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h32,41-42,44-48H,7-31,33-40H2,1-6H3/t42-,44+,45?,46?,47?,48?,50+,51-/m1/s1
HMDB10375	CE(22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C49H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,30,39-40,42-46H,7,10,13,16,19,22-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1
HMDB10374	CE(22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C	InChI=1S/C49H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7-10,13,16,19,22,25-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1
HMDB58711	CL(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-42-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,47,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-45-/t76?,77-,78-/m1/s1
HMDB42220	TG(14:0/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-
HMDB13900	4-Hydroxyvalproic acid	CCCC(CC(C)O)C(O)=O	InChI=1S/C8H16O3/c1-3-4-7(8(10)11)5-6(2)9/h6-7,9H,3-5H2,1-2H3,(H,10,11)
HMDB43737	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,34,37-38,41,53H,4-6,9,12-15,18,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-,41-38-
HMDB42221	TG(14:0/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h25,30,54H,4-24,26-29,31-53H2,1-3H3/b30-25-
HMDB13903	(3Z)-2-Propylpent-3-enoic acid	CCCC(\C=C/C)C(O)=O	InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3-
HMDB13902	2-ene-Valproic acid	CCC\C(=C/CC)C(O)=O	InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
HMDB58715	CL(18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-42-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,47,55,59,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46,48-54,56-58,60-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,47-45-,59-55-/t76?,77-,78-/m1/s1
HMDB13904	(3E)-2-Propylpent-3-enoic acid	CCCC(\C=C\C)C(O)=O	InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+
HMDB58717	CL(18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,50-51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-49,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB43736	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,38,41,53H,4-6,9,12-15,18,21-24,28,31,33-37,39-40,42-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,41-38-
HMDB58716	CL(18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,47,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-46,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-47-,62-58-/t79?,80-,81-/m1/s1
HMDB39535	3-Tritriacontanone	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC	InChI=1S/C33H66O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)4-2/h3-32H2,1-2H3
HMDB39538	(6Z,9Z)-6,9-Pentadecadien-2-one	CCCCC\C=C/C\C=C\CCCC(C)=O	InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
HMDB43734	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34-36,38,42,45,57H,4-7,9-10,12-15,18,21-24,29,31,33,37,39-41,43-44,46-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,45-42-
HMDB00336	(R)-3-Hydroxyisobutyric acid	C[C@H](CO)C(O)=O	InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
HMDB00337	(S)-3,4-Dihydroxybutyric acid	OCC(O)CC(O)=O	InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)
HMDB00335	16a-Hydroxyestrone	[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
HMDB00332	18-Oxocortisol	[H][C@@]12CC[C@@](O)(C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O	InChI=1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,11,14-16,18,22,25,27H,2-7,9-10H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m0/s1
HMDB00333	Isohomovanillic acid	COC1=CC=C(CC(O)=O)C=C1O	InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
HMDB00330	3a,4b,12a-Trihydroxy-5b-cholanoic acid	C[C@@H](CCC(O)=O)C1CCC2C3CCC4[C@@H](O)[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C	InChI=1S/C24H40O5/c1-13(4-9-21(27)28)15-7-8-16-14-5-6-17-22(29)19(25)10-11-23(17,2)18(14)12-20(26)24(15,16)3/h13-20,22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14?,15?,16?,17?,18?,19+,20-,22+,23-,24+/m0/s1
HMDB00331	3a,7b,12a-Trihydroxyoxocholanyl-Glycine	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC(O)=O	InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20+,21+,24+,25+,26-/m1/s1
HMDB11297	PC(P-18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,42,45,49H,6-16,18,21,23-41,43-44,46-48H2,1-5H3/b19-17-,22-20-,45-42-/t49-/m1/s1
HMDB11296	PC(P-18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h17,19,42,45,49H,6-16,18,20-41,43-44,46-48H2,1-5H3/b19-17-,45-42-/t49-/m1/s1
HMDB11295	PC(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,18,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
HMDB11294	PC(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,29,31,40,43,47H,6-7,9,11-13,15,18,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-,31-29-,43-40-/t47-/m1/s1
HMDB11293	PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,29,31,35,37,40,43,47H,6-13,15,18,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
HMDB11292	PC(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,29,31,40,43,47H,6-13,15,18,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,31-29-,43-40-
HMDB11291	PC(P-18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,40,43,47H,6-13,15,18,21,23-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,43-40-
HMDB11290	PC(P-18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,40,43,47H,6-16,18,21,23-39,41-42,44-46H2,1-5H3/b19-17-,22-20-,43-40-/t47-/m1/s1
HMDB03671	2-Heptanone	CCCCCC(C)=O	InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
HMDB48546	TG(16:1(9Z)/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-
HMDB43730	TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,33,39,42,54H,4-6,8-9,11-13,15,18,20-22,24,28-30,32,34-38,40-41,43-53H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,33-31-,42-39-
HMDB57149	CL(18:0/18:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36-37,39-40,43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB57148	CL(18:0/18:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-20,22-24,26-32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57145	CL(18:0/18:1(9Z)/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h35-36,39-40,75-77,82H,5-34,37-38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b39-35-,40-36-/t76-,77-/m1/s1
HMDB57144	CL(18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57147	CL(18:0/18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33,36-37,41-42,46,54,58,77-79,84H,5-20,22-24,26-32,34-35,38-40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB57146	CL(18:0/18:1(9Z)/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,36-37,40-41,76-78,83H,5-24,26-28,30-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB57141	CL(18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57140	CL(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB57143	CL(18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57142	CL(18:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB54385	TG(22:2(13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-,43-40-
HMDB31729	Phenylmethylglycidic ester	CCOC(=O)C1OC1(C)C1=CC=CC=C1	InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
HMDB31728	2-Hexylidenecyclopentanone	CCCCC\C=C1\CCCC1=O	InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h7H,2-6,8-9H2,1H3/b10-7-
HMDB31725	(E)-3-(2-Hydroxyphenyl)-2-propenal	OC1=C(\C=C\C=O)C=CC=C1	InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
HMDB31724	Moringyne	CC1=CC=CC(C)=C1C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C15H20O7/c1-7-4-3-5-8(2)10(7)14(20)22-15-13(19)12(18)11(17)9(6-16)21-15/h3-5,9,11-13,15-19H,6H2,1-2H3
HMDB31727	Alphachloralose	OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl	InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2
HMDB31726	cis-Mulberroside A	OCC1OC(OC2=CC(O)=C(\C=C/C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O	InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1-
HMDB31721	Leonuriside A	COC1=CC(O)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3
HMDB31720	Xenognosin B	COC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O	InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3
HMDB31723	Trichocarposide	OCC1=C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C=CC=C1	InChI=1S/C22H24O9/c23-11-14-3-1-2-4-16(14)30-22-21(28)20(27)19(26)17(31-22)12-29-18(25)10-7-13-5-8-15(24)9-6-13/h1-10,17,19-24,26-28H,11-12H2/b10-7+
HMDB31722	1,2,3,5-Benzenetetrol, 9CI, 8CI; 1,2,3-Tri-Me ether, 5-Ac	COC1=CC(OC(C)=O)=CC(OC)=C1OC	InChI=1S/C11H14O5/c1-7(12)16-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
HMDB35439	3',4',5,5',7-Pentahydroxyflavone; 3',4',5'-Tri-Me ether, 7-O-[a-L-rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O	InChI=1S/C30H36O16/c1-11-22(33)24(35)26(37)29(43-11)42-10-20-23(34)25(36)27(38)30(46-20)44-13-7-14(31)21-15(32)9-16(45-17(21)8-13)12-5-18(39-2)28(41-4)19(6-12)40-3/h5-9,11,20,22-27,29-31,33-38H,10H2,1-4H3
HMDB35438	Promucosine	COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC31C=CC(=O)C=C1	InChI=1S/C20H21NO5/c1-24-15-10-12-6-9-21(19(23)26-3)14-11-20(7-4-13(22)5-8-20)17(16(12)14)18(15)25-2/h4-5,7-8,10,14H,6,9,11H2,1-3H3
HMDB07959	PC(15:0/24:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1
HMDB07958	PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,32,34,43H,6-7,9,11-13,15,17-19,22,25,27,29-31,33,35-42H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-,34-32-/t43-/m1/s1
HMDB35435	Cinchonain Id 7-glucoside	OCC1OC(OC2=C3C(CC(=O)OC3=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C30H30O14/c31-10-22-25(38)26(39)27(40)30(43-22)42-21-9-20-14(7-19(36)28(41-20)12-2-4-16(33)18(35)6-12)29-24(21)13(8-23(37)44-29)11-1-3-15(32)17(34)5-11/h1-6,9,13,19,22,25-28,30-36,38-40H,7-8,10H2
HMDB35434	Isomasticadienonalic acid	C\C(=C/CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O	InChI=1S/C30H44O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24H,7,9-17H2,1-6H3,(H,33,34)/b19-8+
HMDB07955	PC(15:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,43H,6-13,15,17-19,22,25,27,29-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-/t43-/m1/s1
HMDB35436	Asitrilobin C	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CC(O)CCCCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-14-17-20-23-33(40)35-24-25-36(44-35)34(41)28-32(39)22-19-16-13-11-10-12-15-18-21-31(38)27-30-26-29(2)43-37(30)42/h26,29,31-36,38-41H,3-25,27-28H2,1-2H3
HMDB35431	Assamsaponin D	C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2CC1(C)C	InChI=1S/C59H92O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-51-40(72)38(70)37(69)30(19-60)80-51)42(41(73)43(83-53)48(74)75)82-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50/h10-11,27-47,50-53,60-62,64-73H,12-23H2,1-9H3,(H,74,75)/b24-10-
HMDB35430	Assamsaponin C	C\C=C(/C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C	InChI=1S/C59H90O27/c1-10-24(2)49(76)86-47-46(73)59(23-79-25(3)62)27(17-54(47,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)65)81-53-45(85-51-40(71)38(69)37(68)30(19-60)80-51)42(41(72)43(83-53)48(74)75)82-52-44(36(67)29(64)21-78-52)84-50-39(70)35(66)28(63)20-77-50/h10-11,22,27-47,50-53,60,63-73H,12-21,23H2,1-9H3,(H,74,75)/b24-10+
HMDB35433	3,14-Dihydroxycarda-4,20(22)-dienolide; (3b,14b)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;4)-6-deoxy-b-D-allopyranoside]	CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C35H52O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12-13,16,19-23,25-32,36,38-43H,4-11,14-15H2,1-3H3
HMDB07950	PC(15:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,41H,6-7,9,11-13,15,17-19,22,25-40H2,1-5H3/b10-8-,16-14-,21-20-,24-23-/t41-/m1/s1
HMDB35383	Panasinsanol B	CC1(C)CC23[C@H]1CC[C@@]2(C)CCC[C@]3(C)O	InChI=1S/C15H26O/c1-12(2)10-15-11(12)6-9-13(15,3)7-5-8-14(15,4)16/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15?/m0/s1
HMDB35382	Ganoderenic acid C	CC(CC(=O)\C=C(\C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O	InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-23,32,34-35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-
HMDB35381	Ganoderenic acid A	CC(CC(=O)\C=C(\C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O	InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,23,32,35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-
HMDB35380	Sterebin G	CC1(C)CCCC2(C)C(\C=C\C(=C)C(O)CO)C(C)(O)C(O)C(O)C12	InChI=1S/C20H34O5/c1-12(13(22)11-21)7-8-14-19(4)10-6-9-18(2,3)16(19)15(23)17(24)20(14,5)25/h7-8,13-17,21-25H,1,6,9-11H2,2-5H3/b8-7+
HMDB35387	(24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid	CC(CC(=O)\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-27(38-20(3)33)32(8)23-9-10-25-29(4,5)26(35)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16-
HMDB35386	(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid	CC(CC(=O)\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-26(35)32(8)23-9-10-25-29(4,5)27(38-20(3)33)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16-
HMDB35385	3-Ethylthiophene	CCC1=CSC=C1	InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3
HMDB35384	2-Ethylthiophene	CCC1=CC=CS1	InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
HMDB02200	Leukotriene E4	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SCC(N)C(O)=O)[C@@H](O)CCCC(O)=O	InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19?,20-,21+/m0/s1
HMDB02201	N-Carboxyethyl-g-aminobutyric acid	OC(=O)CCCNCCC(O)=O	InChI=1S/C7H13NO4/c9-6(10)2-1-4-8-5-3-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)
HMDB35389	Asitrilobin D	CCCCCCCCCCC(O)C1CCC(O1)C(O)CC(O)CCCCCCC(O)CCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H68O7/c1-3-4-5-6-7-8-12-19-24-33(40)35-25-26-36(44-35)34(41)28-32(39)23-18-14-13-17-22-31(38)21-16-11-9-10-15-20-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3
HMDB35388	(24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid	CC(CC(=O)\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	InChI=1S/C34H48O7/c1-19(16-23(37)17-20(2)30(38)39)26-18-29(41-22(4)36)34(9)25-10-11-27-31(5,6)28(40-21(3)35)13-14-32(27,7)24(25)12-15-33(26,34)8/h10,12,17,19,26-29H,11,13-16,18H2,1-9H3,(H,38,39)/b20-17-
HMDB02204	Astaxanthin	O[C@H]1CC(C)(C)C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)[C@@H](O)CC2(C)C)=C(C)C1=O	InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
HMDB02205	L-Homocysteic acid	N[C@@H](CCS(O)(=O)=O)C(O)=O	InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
HMDB02206	Molybdopterin	NC1=NC2=C(NC3C(N2)OC(COP(O)(O)=O)C2=C3S[Mo](=O)(=O)S2)C(=O)N1	InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2
HMDB02207	3-Hydroxyisoheptanoic acid	CC(C)CC(O)CC(O)=O	InChI=1S/C7H14O3/c1-5(2)3-6(8)4-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
HMDB50658	TG(20:1(11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35,38,40-41,43,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,36-37,39,42,44-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-
HMDB54261	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB50659	TG(20:1(11Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35,38,40-41,43,49,52,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,52-49-
HMDB54260	TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-
HMDB45138	TG(18:0/20:2n6/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,61H,4-13,15-16,18-22,24,27,29-60H2,1-3H3/b17-14-,26-23-,28-25-
HMDB55276	TG(18:3(9Z,12Z,15Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-34,36-37,58H,4-6,8,11,13-15,22-24,30-31,35,38-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-
HMDB30098	Cyanidin 3-(3-glucosyl-6-malonylglucoside) 4'-glucoside	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=C)CC(O)=C)O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C38H46O22/c1-13(41)5-14(2)53-12-25-28(47)35(60-37-32(51)30(49)27(46)24(11-40)58-37)33(52)38(59-25)56-22-9-17-18(43)7-16(42)8-21(17)54-34(22)15-3-4-20(19(44)6-15)55-36-31(50)29(48)26(45)23(10-39)57-36/h3-4,6-9,23-33,35-40,45-52H,1-2,5,10-12H2,(H3-,41,42,43,44)/p+1/t23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,35+,36-,37+,38-/m1/s1
HMDB30099	Delphinidin 3-(3''-p-coumaroylglucoside)	OC[C@H]1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@@H]1O	InChI=1S/C30H26O14/c31-12-23-26(39)29(44-24(37)6-3-13-1-4-15(32)5-2-13)27(40)30(43-23)42-22-11-17-18(34)9-16(33)10-21(17)41-28(22)14-7-19(35)25(38)20(36)8-14/h1-11,23,26-27,29-31,39-40H,12H2,(H5-,32,33,34,35,36,37,38)/p+1/t23-,26-,27-,29+,30-/m1/s1
HMDB30094	Betulinic acid	CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O	InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)
HMDB30095	Artemetin	COC1=CC=C(C=C1OC)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C=C2O1	InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3
HMDB30096	Cyanidin 3-(3'',6''-dimalonylglucoside)	O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1OC(=O)CC(O)=O	InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1
HMDB30097	5-Hydroxyisourate	OC12NC(=O)N=C1NC(=O)NC2=O	InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)
HMDB30090	Sakuranetin	COC1=CC2=C(C(=O)C[C@H](O2)C2=CC=C(O)C=C2)C(O)=C1	InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
HMDB30091	beta-D-Glucosamine	N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
HMDB30092	Hentriacontane	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
HMDB30093	1,5-Dicaffeoylquinic acid	O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H]1O)(OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
HMDB50653	TG(20:1(11Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,32,35,38,40-41,43,49,52,62H,4-15,17,20,22-24,31,33-34,36-37,39,42,44-48,50-51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,52-49-
HMDB49134	TG(18:1(11Z)/16:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB58785	CL(18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-41,43-44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,42,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,31-27-,37-33-,41-40-,43-36-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB40376	2,4-Dimethyldodecane	CCCCCCCCC(C)CC(C)C	InChI=1S/C14H30/c1-5-6-7-8-9-10-11-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3
HMDB40377	3-Pentadecenal	CCCCCCCCCCC\C=C\CC=O	InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h12-13,15H,2-11,14H2,1H3/b13-12+
HMDB40374	Ginsenoyne I	CCCCCCCC1OC1CC#C\C=C/C(O)C=C	InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,9,12,15-18H,2-3,5-7,10,13-14H2,1H3/b12-9-
HMDB40375	Ginsenoyne K	CCCCCCCC(OO)\C=C\C#CC#CC(O)C=C	InChI=1S/C17H24O3/c1-3-5-6-7-11-14-17(20-19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12+
HMDB40372	3',5,7-Trihydroxy-4'-methoxyflavanone; (S)-form, 7-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;6)]-b-D-glucopyranoside]	COC1=CC=C(C=C1O)C1CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1	InChI=1S/C34H44O19/c1-11-23(38)26(41)29(44)32(48-11)47-10-21-25(40)28(43)31(53-33-30(45)27(42)24(39)12(2)49-33)34(52-21)50-14-7-16(36)22-17(37)9-19(51-20(22)8-14)13-4-5-18(46-3)15(35)6-13/h4-8,11-12,19,21,23-36,38-45H,9-10H2,1-3H3
HMDB40373	Ginsenoyne J	CCCCCCC\C=C\CC#C\C=C\C(O)C=C	InChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,15-18H,2-3,5-9,12H2,1H3/b11-10+,16-15+
HMDB40370	Grossamide	COC1=CC(\C=C\C(=O)NCCC2=CC=C(O)C=C2)=CC2=C1OC(C2C(=O)NCCC1=CC=C(O)C=C1)C1=CC(OC)=C(O)C=C1	InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+
HMDB40371	Herbacetin 3,8-diglucoside	OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	InChI=1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2
HMDB08325	PC(20:1(11Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,38,41,45H,6-19,21,23-37,39-40,42-44H2,1-5H3/b22-20-,41-38-
HMDB08324	PC(20:1(11Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-
HMDB08327	PC(20:1(11Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,38,41,45H,6-19,24-37,39-40,42-44H2,1-5H3/b22-20-,23-21-,41-38-
HMDB08326	PC(20:1(11Z)/P-18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,38,41,45H,6-16,18,21,23-37,39-40,42-44H2,1-5H3/b19-17-,22-20-,41-38-
HMDB08321	PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,37,39,48H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,33-31-,39-37-/t48-/m1/s1
HMDB08320	PC(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,48H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,33-31-/t48-/m1/s1
HMDB40378	Gallocatechin-(4alpha-&gt;8)-gallocatechin-(4alpha-&gt;8)-gallocatechin	O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C([C@H]1[C@H](O)[C@H](OC3=C1C(O)=CC(O)=C3[C@H]1[C@H](O)[C@H](OC3=C1C(O)=CC(O)=C3)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O	InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34-,35+,39-,40-,41+,42+,43+/m0/s1
HMDB40379	Simulanoquinoline	COC1=CC=CC2=C1N(C)C(=O)C1=C2OC(C)(CC2N(C)C3=C(C=CC4=C3C=C3OCOC3=C4)C3=C2C(OC)=C(OC)C=C3)C=C1	InChI=1S/C37H34N2O7/c1-37(15-14-24-34(46-37)23-8-7-9-27(41-4)33(23)39(3)36(24)40)18-26-31-21(12-13-28(42-5)35(31)43-6)22-11-10-20-16-29-30(45-19-44-29)17-25(20)32(22)38(26)2/h7-17,26H,18-19H2,1-6H3
HMDB54267	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-8,10-11,13-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB57860	CL(18:1(11Z)/16:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,28-29,32,34,36,71-73,78H,5-24,26-27,30-31,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB56999	CL(18:0/18:0/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-49-53-57-61-65-78(83)91-70-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)72-94-98(86,87)92-68-74(81)69-93-99(88,89)95-73-76(97-80(85)67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)71-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1
HMDB54266	TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,34-35,37,43,46,60H,4-8,10-11,13-15,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-
HMDB33015	5,6-Dihydroyangonin	COC1=CC(=O)OC(C1)\C=C\C1=CC=C(OC)C=C1	InChI=1S/C15H16O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-8,10,13H,9H2,1-2H3/b8-5+
HMDB33014	Hovenitin I	COC1=C(O)C(O)=CC(=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O	InChI=1S/C16H14O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,15-20,22H,1H3
HMDB33017	11-Hydroxyyangonin	COC1=CC(=O)OC(\C=C/C2=CC=C(OC)C(O)=C2)=C1	InChI=1S/C15H14O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-14(19-2)13(16)7-10/h3-9,16H,1-2H3/b5-3-
HMDB33016	7,8-Dihydroyangonin	COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1	InChI=1S/C15H16O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,9-10H,5,8H2,1-2H3
HMDB33011	1,8-Epoxy-p-menthane-2,5-diol; (1S,2S,4S,5R)-form, 2-O-b-D-Glucopyranoside	CC1(C)OC2(C)CC(O)C1CC2OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O8/c1-15(2)7-4-10(16(3,24-15)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3
HMDB33010	(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol	CC1(C)OC2(C)CC(O)C1CC2O	InChI=1S/C10H18O3/c1-9(2)6-4-8(12)10(3,13-9)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3
HMDB33013	Isohopeaphenol	OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=CC(O)=CC(O)=C1C(C3C1C(C2=CC=C(O)C=C2)C2=C(C=C(O)C=C2O)C2C(OC3=CC(O)=CC1=C23)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H
HMDB33012	2',7-Dihydroxy-4'-methoxyisoflavan; (R)-form, 7-O-b-D-Glucopyranoside	COC1=CC=C(C2COC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC=C3C2)C(O)=C1	InChI=1S/C22H26O9/c1-28-13-4-5-15(16(24)7-13)12-6-11-2-3-14(8-17(11)29-10-12)30-22-21(27)20(26)19(25)18(9-23)31-22/h2-5,7-8,12,18-27H,6,9-10H2,1H3
HMDB41421	Sarcodon scabrosus Depsipeptide	CCC(C)C1NC(=O)C(OC(=O)C(NC(=O)C(C)NC(=O)C(OC1=O)C(C)C)C(C)O)C(C)C	InChI=1S/C23H39N3O8/c1-9-12(6)15-22(31)33-17(10(2)3)20(29)24-13(7)19(28)26-16(14(8)27)23(32)34-18(11(4)5)21(30)25-15/h10-18,27H,9H2,1-8H3,(H,24,29)(H,25,30)(H,26,28)
HMDB41420	Camelliatannin D	OC(C1OC(=O)C2=C(C(O)=C(O)C(OC3=C(C=C(O)C(O)=C3O)C(=O)OC3C(O)OC4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)OC4C3OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(C=C(O)C(O)=C2O)C(=O)OCC1O)C1=C(O)C2=C(OC(C(O)C2)C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C83H62O50/c84-27-2-1-17(3-28(27)85)67-38(95)6-19-40(125-67)14-29(86)49(50(19)97)65(112)71-72(69-39(96)15-123-76(115)20-7-32(89)52(99)59(106)43(20)45-22(78(117)128-69)9-34(91)54(101)61(45)108)132-80(119)24-11-36(93)56(103)63(110)47(24)48-25(81(120)130-71)13-41(58(105)64(48)111)126-68-26(12-37(94)57(104)66(68)113)82(121)133-74-73(131-75(114)18-4-30(87)51(98)31(88)5-18)70-42(127-83(74)122)16-124-77(116)21-8-33(90)53(100)60(107)44(21)46-23(79(118)129-70)10-35(92)55(102)62(46)109/h1-5,7-14,38-39,42,65,67,69-74,83-113,122H,6,15-16H2
HMDB41423	Mulberrofuran E	CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=C(C=C2O)C2=CC3=C(O2)C=C(O)C=C3)C2=CC=C(O)C=C2)=C1O	InChI=1S/C39H36O8/c1-20(2)4-11-27-31(42)13-12-28(38(27)45)39(46)36-29(22-5-8-25(40)9-6-22)14-21(3)15-30(36)37-32(43)16-24(17-33(37)44)34-18-23-7-10-26(41)19-35(23)47-34/h4-10,12-13,15-19,29-30,36,40-45H,11,14H2,1-3H3
HMDB41422	(Z)-14-Methyl-6-pentadecenoic acid	CC(C)CCCCCC\C=C\CCCCC(O)=O	InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h4,6,15H,3,5,7-14H2,1-2H3,(H,17,18)/b6-4+
HMDB33019	p-Menth-1-ene-7,8-diol; (R)-form, 8-O-b-D-Glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)=CC1	InChI=1S/C16H28O7/c1-16(2,10-5-3-9(7-17)4-6-10)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,10-15,17-21H,4-8H2,1-2H3
HMDB33018	10-Methoxyyangonin	COC1=CC(OC)=C(\C=C\C2=CC(OC)=CC(=O)O2)C=C1	InChI=1S/C16H16O5/c1-18-12-6-4-11(15(9-12)20-3)5-7-13-8-14(19-2)10-16(17)21-13/h4-10H,1-3H3/b7-5+
HMDB41427	Erinapyrone B	CC1=CC(=O)CC(CO)O1	InChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h2,7-8H,3-4H2,1H3
HMDB41426	Erinapyrone A	CC1CC(=O)C=C(CO)O1	InChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h3,5,8H,2,4H2,1H3
HMDB58663	CL(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,54-56,58-60,66,70,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-53,57,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB12488	1,2,3,4-tetrahydro-beta-carboline	C1CC2=C(CN1)NC1=C2C=CC=C1	InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
HMDB08819	PC(24:1(15Z)/P-18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,42,45,49H,6-16,18,21,23-41,43-44,46-48H2,1-5H3/b19-17-,22-20-,45-42-
HMDB08818	PC(24:1(15Z)/P-18:0)	CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h20,22,42,45,49H,6-19,21,23-41,43-44,46-48H2,1-5H3/b22-20-,45-42-
HMDB08817	PC(24:1(15Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h20,22,40,43,47H,6-19,21,23-39,41-42,44-46H2,1-5H3/b22-20-,43-40-
HMDB08816	PC(24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,54H,6-19,24-53H2,1-5H3/b22-20-,23-21-/t54-/m1/s1
HMDB08815	PC(24:1(15Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C56H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,54H,6-19,21,23-53H2,1-5H3/b22-20-/t54-/m1/s1
HMDB08814	PC(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,31,35,37,41,43,52H,6-8,10,12-14,16,18-19,24-27,29-30,32-34,36,38-40,42,44-51H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,31-28-,37-35-,43-41-/t52-/m1/s1
HMDB08813	PC(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,28,31,35,37,52H,6-8,10,12-14,16,18-19,24-27,29-30,32-34,36,38-51H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,31-28-,37-35-/t52-/m1/s1
HMDB08812	PC(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,31,35,37,41,43,52H,6-14,16,18-19,24-27,29-30,32-34,36,38-40,42,44-51H2,1-5H3/b17-15-,22-20-,23-21-,31-28-,37-35-,43-41-/t52-/m1/s1
HMDB08811	PC(24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,31,35,37,52H,6-14,16,18-19,24-27,29-30,32-34,36,38-51H2,1-5H3/b17-15-,22-20-,23-21-,31-28-,37-35-/t52-/m1/s1
HMDB08810	PC(24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C54H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,52H,6-14,16,18-19,24-51H2,1-5H3/b17-15-,22-20-,23-21-/t52-/m1/s1
HMDB45425	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31,33,39,42,48,51,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,42-39-,51-48-
HMDB45424	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,30-31,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,40-37-,49-46-
HMDB45427	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,34,37,43,46,52,55,64H,4-7,9-10,12-16,18-19,21-25,27-28,30-33,35-36,38-42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,20-17-,29-26-,37-34-,46-43-,55-52-
HMDB45426	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,33,35,41,44,50,53,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,29-26-,35-33-,44-41-,53-50-
HMDB45421	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,62H,4-6,9,12-15,18,21-24,27,30-31,36-39,42,45-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-
HMDB45420	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-6,9,12-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB45423	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H110O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,31-32,37,40,59H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,40-37-
HMDB45422	TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,40-41,43-44,49,52,62H,4-6,9,12-15,18,21-24,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-
HMDB45429	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,20,22-23,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,30-29-,38-35-,47-44-
HMDB45428	TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,28-29,33,36,42,45,54H,4-6,8-9,11-14,17,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,36-33-,45-42-
HMDB36144	Cycloionone	CC1=CC=C2C(C)(C)CCCC2(C)O1	InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h6-7H,5,8-9H2,1-4H3
HMDB36145	p-Menthane-3,8-diol	CC1CCC(C(O)C1)C(C)(C)O	InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
HMDB36146	Furanoeremophilane-3,6-diol; (3b,6b)-form, 6-O-Angeloyl	C\C=C(/C)C(=O)OC1C2=C(CC3CCC(O)C(C)C13C)OC=C2C	InChI=1S/C20H28O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-7-8-15(21)13(4)20(14,18)5/h6,10,13-15,18,21H,7-9H2,1-5H3/b11-6+
HMDB36147	Furanojaponin	C\C=C(/C)C(=O)OC1CC(C)C2(C)CC3=C(CC2C1)OC=C3C	InChI=1S/C20H28O3/c1-6-12(2)19(21)23-16-7-14(4)20(5)10-17-13(3)11-22-18(17)9-15(20)8-16/h6,11,14-16H,7-10H2,1-5H3/b12-6+
HMDB36140	5-Hexyldihydro-5-methyl-2(3H)-furanone	CCCCCCC1(C)CCC(=O)O1	InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3
HMDB36141	Menthyl ethylene glycol carbonate	CC(C)C1CCC(C)CC1OC(=O)OCCO	InChI=1S/C13H24O4/c1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h9-12,14H,4-8H2,1-3H3
HMDB36142	6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine	CC1=NC2=C(CCC2)N=C1C	InChI=1S/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3
HMDB36143	Monomenthyl succinate	CC(C)C1CCC(C)CC1OC(=O)CCC(O)=O	InChI=1S/C14H24O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h9-12H,4-8H2,1-3H3,(H,15,16)
HMDB36148	Furoeremophilone 1	CC1CCC(=O)C2CC3=C(CC12C)C(C)=CO3	InChI=1S/C15H20O2/c1-9-8-17-14-6-12-13(16)5-4-10(2)15(12,3)7-11(9)14/h8,10,12H,4-7H2,1-3H3
HMDB36149	3-Mercapto-3-methyl-1-butanol	CC(C)(S)CCO	InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
HMDB29249	Luteolinidin	OC1=CC2=[O+]C(=CC=C2C(O)=C1)C1=CC=C(O)C(O)=C1	InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1
HMDB29248	Luteolinidin 3-O-glucoside	[H]OC1=C([H])C2=[O+]C(=C([H])C([H])=C2C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1-7,17-22,26-28H,8H2,(H2-,23,24,25)/p+1/t17-,18-,19+,20-,21-/m1/s1
HMDB56898	CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C82H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB59099	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-46-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-45-40-36-32-28-24-20-16-12-8-4)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,42,46-47,49-54,56,59,61-63,65-66,85-87,92H,5-8,10-12,14-20,29-32,41,43-45,48,55,57-58,60,64,67-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,46-42-,51-47-,53-49-,54-50-,56-52-,63-59-,65-61-,66-62-/t85?,86-,87-/m1/s1
HMDB58666	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB47209	TG(24:0/16:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,35,38,60H,4-16,18-19,22-23,25,27,29-34,36-37,39-59H2,1-3H3/b20-17-,24-21-,28-26-,38-35-
HMDB37811	Vetiverol	C[C@@H]1CC(O)C=C(C)[C@@]11CCC(C1)=C(C)C	InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14?,15+/m1/s1
HMDB37810	4,11-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione	ClC1=CC=CC2=C1NC1=CC3=C(NC4=C(C=CC=C4Cl)C3=O)C=C1C2=O	InChI=1S/C20H10Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-8H,(H,23,25)(H,24,26)
HMDB37813	3-Heptyldihydro-5-methyl-2(3H)-furanone	CCCCCCCC1CC(C)OC1=O	InChI=1S/C12H22O2/c1-3-4-5-6-7-8-11-9-10(2)14-12(11)13/h10-11H,3-9H2,1-2H3
HMDB37815	5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal	CSCC\C=C(\CSC)C=O	InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+
HMDB37814	2-Propenyl cyclohexanepentanoate	C=CCOC(=O)CCCCC1CCCCC1	InChI=1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
HMDB37817	Aldosine	OC(=O)C1CCC(=CN1)C1CCCC(N1)C(O)=O	InChI=1S/C12H18N2O4/c15-11(16)9-5-4-7(6-13-9)8-2-1-3-10(14-8)12(17)18/h6,8-10,13-14H,1-5H2,(H,15,16)(H,17,18)
HMDB37816	Dihydro-3-(1-octenyl)-2,5-furandione	CCCCCC\C=C\C1CC(=O)OC1=O	InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h7-8,10H,2-6,9H2,1H3/b8-7+
HMDB37819	4-Acetyl-2-methylpyrimidine	CC(=O)C1=CC=NC(C)=N1	InChI=1S/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3
HMDB37818	2-Pentyloxazole	CCCCCC1=NC=CO1	InChI=1S/C8H13NO/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3
HMDB30845	Archangelicin	C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C(\C)=C/C	InChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-
HMDB30844	6,7-Dimethoxy-7-epirosmanol	COC1C2=C(C(O)=C(O)C(=C2)C(C)C)C23CCCC(C)(C)C2C1(OC)OC3=O	InChI=1S/C22H30O6/c1-11(2)12-10-13-14(16(24)15(12)23)21-9-7-8-20(3,4)18(21)22(27-6,17(13)26-5)28-19(21)25/h10-11,17-18,23-24H,7-9H2,1-6H3
HMDB30843	Apiin	OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O	InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2
HMDB30842	4',5,7-Trimethoxyflavone	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC)C=C2OC	InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
HMDB30841	Sagequinone methide A	CC(C)C1=CC2=CC3OC(=O)C4(CCCC(C)(C)C34)C2=C(O)C1=O	InChI=1S/C20H24O4/c1-10(2)12-8-11-9-13-17-19(3,4)6-5-7-20(17,18(23)24-13)14(11)16(22)15(12)21/h8-10,13,17,22H,5-7H2,1-4H3
HMDB30840	2-Methoxy-9-phenyl-1H-phenalen-1-one	COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1	InChI=1S/C20H14O2/c1-22-17-12-15-9-5-8-14-10-11-16(13-6-3-2-4-7-13)19(18(14)15)20(17)21/h2-12H,1H3
HMDB47208	TG(24:0/16:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-34-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-24,26,59H,4-13,15-16,18-20,22,25,27-58H2,1-3H3/b17-14-,24-21-,26-23-
HMDB43119	TG(15:0/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h20,23,28,32,56H,4-19,21-22,24-27,29-31,33-55H2,1-3H3/b23-20-,32-28-
HMDB43118	TG(15:0/22:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,61H,4-24,26,28-60H2,1-3H3/b27-25-
HMDB43113	TG(15:0/22:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-
HMDB43112	TG(15:0/22:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB43111	TG(15:0/22:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,51H,4-14,16-17,19-50H2,1-3H3/b18-15-
HMDB43110	TG(15:0/22:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C64H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3
HMDB43117	TG(15:0/22:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,59H,4-24,26,28-58H2,1-3H3/b27-25-
HMDB43116	TG(15:0/22:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,35,41,44,57H,4-25,27,29-32,34,36-40,42-43,45-56H2,1-3H3/b28-26-,35-33-,44-41-
HMDB43115	TG(15:0/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,57H,4-25,27,29-56H2,1-3H3/b28-26-
HMDB43114	TG(15:0/22:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h26,31,55H,4-25,27-30,32-54H2,1-3H3/b31-26-
HMDB46853	TG(22:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,39,42,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,42-39-
HMDB36856	Cinnzeylanol; 19-Hydroxy, 19-b-D-glucopyranoside	CC(COC1OC(CO)C(O)C(O)C1O)C1(O)CC2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C	InChI=1S/C26H42O13/c1-11-5-6-22(33)19(3)9-24(35)20(4)21(32,10-23(19,34)26(20,36)25(22,39-24)17(11)31)12(2)8-37-18-16(30)15(29)14(28)13(7-27)38-18/h11-18,27-36H,5-10H2,1-4H3
HMDB36857	Cinncassiol E	CC(C)C12CC3(O)C4(C)C1C1(O)OC(O)(C5(O)C(C)CCC45O)C3(O)C1(C)O2	InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3
HMDB36854	Cinncassiol D3	CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(O)C(C)C42)C13C	InChI=1S/C20H32O6/c1-9(7-21)11-5-13-16(3)8-19(24)17(11,4)20(13,25)15(26-19)14-10(2)12(22)6-18(14,16)23/h9-15,21-25H,5-8H2,1-4H3
HMDB36855	Cincassiol B	CC(CO)C1(O)CC2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C	InChI=1S/C20H32O8/c1-10-5-6-16(24)13(3)8-18(26)14(4)15(23,11(2)7-21)9-17(13,25)20(14,27)19(16,28-18)12(10)22/h10-12,21-27H,5-9H2,1-4H3
HMDB36852	alpha-Camphorene	CC(C)=CCCC(=C)C1CCC(CCC=C(C)C)=CC1	InChI=1S/C20H32/c1-16(2)8-6-10-18(5)20-14-12-19(13-15-20)11-7-9-17(3)4/h8-9,12,20H,5-7,10-11,13-15H2,1-4H3
HMDB36853	gamma-Camphorene	CC(C)=CCCC(=C)C1CCC=C(CCC=C(C)C)C1	InChI=1S/C20H32/c1-16(2)9-6-11-18(5)20-14-8-13-19(15-20)12-7-10-17(3)4/h9-10,13,20H,5-8,11-12,14-15H2,1-4H3
HMDB36850	Ceanothenic acid	CC(=C)C1CCC2(CCC3(C(CCC4C5(C)C=CC(C)(C)C5CCC34C)C12)C(O)=O)C(O)=O	InChI=1S/C29H42O4/c1-17(2)18-9-12-28(23(30)31)15-16-29(24(32)33)19(22(18)28)7-8-21-26(5)14-13-25(3,4)20(26)10-11-27(21,29)6/h13-14,18-22H,1,7-12,15-16H2,2-6H3,(H,30,31)(H,32,33)
HMDB36851	Ceanothic acid	CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C(O)C(C)(C)C5CCC34C)C(O)=O)C12)C(O)=O	InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)
HMDB36858	Gelatin	Cl.CNC[C@H](O)C1=CC(O)=C(O)C=C1	InChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H/t9-;/m0./s1
HMDB36859	Cinncassiol C3	CC(C)C1(O)CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C	InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3
HMDB59098	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-45-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3)81-100-87(92)74-70-66-62-58-54-50-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-40,42,45-47,49-51,53,55,58,61-62,65,84-86,91H,5-8,10-12,14-20,24,29-31,36,41,43-44,48,52,54,56-57,59-60,63-64,66-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,45-42-,46-40-,50-47-,53-49-,55-51-,62-58-,65-61-/t84?,85-,86-/m1/s1
HMDB34609	Isorubrofusarin 10-gentiobioside	COC1=CC2=C(C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=C1)C1=C(C(O)=C2)C(=O)C=C(C)O1	InChI=1S/C27H32O15/c1-9-3-12(29)18-13(30)5-10-4-11(37-2)6-14(17(10)25(18)39-9)40-27-24(36)22(34)20(32)16(42-27)8-38-26-23(35)21(33)19(31)15(7-28)41-26/h3-6,15-16,19-24,26-28,30-36H,7-8H2,1-2H3
HMDB34608	PSF-A	COC(=O)C1=C\CCC2(C)OC2C2OC(=O)C(=C)C2C(OC(=O)C2(C)OC2C)C\1OC(C)=O	InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8-
HMDB44468	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,40,46,49,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-
HMDB44469	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-7,9-10,12-15,18,21-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB44462	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-15,18,21-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB44463	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,39,42,48,51,60H,4-15,18,21-24,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-,42-39-,51-48-
HMDB44460	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,30-31,36,39,45,48,57H,4-13,15,18,20-22,24,28-29,32-35,37-38,40-44,46-47,49-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,31-30-,39-36-,48-45-
HMDB44461	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30,32-33,36-37,40,46,49,58H,4-15,18,21-24,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-
HMDB44466	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,38,44,47,56H,4-7,9-10,12-15,18,21-24,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,47-44-
HMDB44467	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,35,37-38,40,44,47,56H,4-7,9-10,12-15,18,21-24,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-
HMDB44464	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,48,51,60H,4-15,18,21-24,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-
HMDB44465	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-39,41-42,47-48,50-51,60H,4-15,18,21-24,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-
HMDB39509	3-(4-Hydroxyphenyl)-2-propenoic acid, 9CI; (x)-form, O-b-D-Glucopyranoside	OCC1OC(OC2=CC=C(\C=C\C(O)=O)C=C2)C(O)C(O)C1O	InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+
HMDB39508	Glucoliquiritin	OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)C(O)C(O)C1O	InChI=1S/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2
HMDB39501	Tryptophan, 9CI, 8CI, USAN; (S)-form, Na-Hexanoyl, Nb-inosityl	CCCCCC(=O)NC(CC1=CN(C2C(O)C(O)C(O)C(O)C2O)C2=C1C=CC=C2)C(O)=O	InChI=1S/C23H32N2O8/c1-2-3-4-9-16(26)24-14(23(32)33)10-12-11-25(15-8-6-5-7-13(12)15)17-18(27)20(29)22(31)21(30)19(17)28/h5-8,11,14,17-22,27-31H,2-4,9-10H2,1H3,(H,24,26)(H,32,33)
HMDB39500	N-Malonyltryptophan	OC(=O)CC(=O)NC(CC1=CNC2=C1C=CC=C2)C(O)=O	InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
HMDB39503	N-Jasmonoyltyrosine	CC\C=C\CC1C(CC(=O)NC(CC2=CC=C(O)C=C2)C(O)=O)CCC1=O	InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3+
HMDB39502	N-(4-Hydroxycinnamoyl)tyrosine	[H]OC(=O)C([H])(N([H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]	InChI=1S/C18H17NO5/c20-14-6-1-12(2-7-14)5-10-17(22)19-16(18(23)24)11-13-3-8-15(21)9-4-13/h1-10,16,20-21H,11H2,(H,19,22)(H,23,24)/b10-5+
HMDB39505	2-(Arabinosylamino)-3-(glucosylamino)propanenitrile	OCC1OC(NCC(NC2OCC(O)C(O)C2O)C#N)C(O)C(O)C1O	InChI=1S/C14H25N3O9/c15-1-5(17-14-11(23)8(20)6(19)4-25-14)2-16-13-12(24)10(22)9(21)7(3-18)26-13/h5-14,16-24H,2-4H2
HMDB39504	gamma-Glutamyl-S-methylcysteinyl-beta-alanine	CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O	InChI=1S/C12H21N3O6S/c1-22-6-8(11(19)14-5-4-10(17)18)15-9(16)3-2-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)
HMDB39507	Kaempferol 3-xylosylglucoside	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1	InChI=1S/C26H28O15/c27-7-14-17(31)21(35)25(39-14)37-8-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1
HMDB39506	N-Salicyloylaspartic acid	OC(=O)CC(NC(=O)C1=C(O)C=CC=C1)C(O)=O	InChI=1S/C11H11NO6/c13-8-4-2-1-3-6(8)10(16)12-7(11(17)18)5-9(14)15/h1-4,7,13H,5H2,(H,12,16)(H,14,15)(H,17,18)
HMDB34568	23-Hydroxy-3-oxocycloart-24-en-26-oic acid	CC(CC(O)\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C	InChI=1S/C30H46O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-23,31H,7-15,17H2,1-6H3,(H,33,34)/b19-16-
HMDB34569	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one, 9CI; 8-Me ether, 6-O-[b-D-glucopyranosyl-(1-&gt;3)-b-D-glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	COC1=CC2=CC3=C(C(=O)C=C(C)O3)C(O)=C2C(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C33H42O20/c1-10-3-13(36)20-14(48-10)5-11-4-12(46-2)6-15(19(11)24(20)40)49-32-27(43)26(42)22(38)18(52-32)9-47-31-29(45)30(23(39)17(8-35)50-31)53-33-28(44)25(41)21(37)16(7-34)51-33/h3-6,16-18,21-23,25-35,37-45H,7-9H2,1-2H3
HMDB34564	13-Oxo-9,11-tridecadienoic acid	OC(=O)CCCCCCC\C=C\C=C\C=O	InChI=1S/C13H20O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h4,6,8,10,12H,1-3,5,7,9,11H2,(H,15,16)/b6-4+,10-8+
HMDB34565	Secaloside A	COC1=CC(=CC=C1O)C1C2C(C3=CC(O)=C(OC4OC(COC(=O)CC5C(=O)NC6=C5C=CC=C6)C(O)C(O)C4O)C=C13)C(=O)OC1C(O)C(COC2=O)OC1(CO)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C46H51NO24/c1-63-24-8-16(6-7-22(24)50)30-19-10-25(66-44-38(58)37(57)34(54)27(68-44)13-64-29(52)11-20-17-4-2-3-5-21(17)47-41(20)60)23(51)9-18(19)31-32(30)42(61)65-14-28-35(55)40(69-43(31)62)46(15-49,70-28)71-45-39(59)36(56)33(53)26(12-48)67-45/h2-10,20,26-28,30-40,44-45,48-51,53-59H,11-15H2,1H3,(H,47,60)
HMDB34566	Neotame	COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(O)=O)NCCC(C)(C)C	InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)
HMDB34567	3,23-Dihydroxycycloart-24-en-26-oic acid; (3b,23x)-form, 23-Epimer	CC(CC(O)\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16-
HMDB34560	cis-Uvariamicin IV	CCCCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H68O5/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-14-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3
HMDB34561	Houttuynin	CCCCCCCCCCCC(=O)CC=O	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13H,2-12H2,1H3
HMDB34562	9-Pentadecene-12,14-diyne-1,11-diol	OCCCCCCCC\C=C\C(O)C#CC#C	InChI=1S/C15H22O2/c1-2-3-12-15(17)13-10-8-6-4-5-7-9-11-14-16/h1,10,13,15-17H,4-9,11,14H2/b13-10+
HMDB34563	7-Nonene-3,5-diyn-1-ol	C\C=C\C#CC#CCCO	InChI=1S/C9H10O/c1-2-3-4-5-6-7-8-9-10/h2-3,10H,8-9H2,1H3/b3-2+
HMDB38458	N,N'-Bis(gamma-glutamyl)cystine	NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C16H26N4O10S2/c17-7(13(23)24)1-3-11(21)19-9(15(27)28)5-31-32-6-10(16(29)30)20-12(22)4-2-8(18)14(25)26/h7-10H,1-6,17-18H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)
HMDB38459	5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene	CC(=O)OCC(=O)C#CC1=CC=C(S1)C1=CC=CS1	InChI=1S/C14H10O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8H,9H2,1H3
HMDB38454	Isoscoparin 2''-(6-(E)-ferulylglucoside)	COC1=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C=C4OC(=CC(=O)C4=C3O)C3=CC(OC)=C(O)C=C3)C(O)C(O)C2O)=CC=C1O	InChI=1S/C38H40O19/c1-51-22-9-15(3-6-17(22)40)4-8-27(44)53-14-26-31(46)33(48)35(50)38(56-26)57-37-34(49)30(45)25(13-39)55-36(37)29-20(43)12-24-28(32(29)47)19(42)11-21(54-24)16-5-7-18(41)23(10-16)52-2/h3-12,25-26,30-31,33-41,43,45-50H,13-14H2,1-2H3/b8-4+
HMDB38455	Kaempferide 7-glucoside	COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2O	InChI=1S/C22H22O11/c1-30-10-4-2-9(3-5-10)21-19(28)17(26)15-12(24)6-11(7-13(15)32-21)31-22-20(29)18(27)16(25)14(8-23)33-22/h2-7,14,16,18,20,22-25,27-29H,8H2,1H3/t14-,16-,18+,20-,22-/m1/s1
HMDB38456	N-Norgramine	CNCC1=CNC2=CC=CC=C12	InChI=1S/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,11-12H,6H2,1H3
HMDB38457	Dihydrocapsaicin	COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1	InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
HMDB38450	Gibberellin A86	CC12C3C(C(O)=O)C45CC(O)(C(O)CC4C3(CCC1O)OC2=O)C(=C)C5O	InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)
HMDB38451	Licoricesaponin A3	CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	InChI=1S/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62)
HMDB38452	3,19-Dihydroxy-12-ursen-28-oic acid; (3b,19a)-form, 28-O-b-D-Glucopyranosyl ester	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3
HMDB38453	5,7-Dimethoxy-6-methylflavanone	COC1=C(C)C(OC)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1	InChI=1S/C18H18O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3
HMDB58287	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,39-41,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35,38,42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58286	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,37,39-41,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58285	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB58284	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,37,39-41,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58283	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB58282	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t84-,85-/m1/s1
HMDB58281	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB58280	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66,70,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-53,57,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB58289	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,45,49-50,54,57,61-62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,49-45-,54-50-,61-57-,66-62-/t81?,82-,83-/m1/s1
HMDB58288	CL(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB59488	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,44-46,48-50,53,55-60,62,65,67,69-71,74,89-91,96H,5-8,11-12,15-20,29-32,41-43,47,51-52,54,61,63-64,66,68,72-73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,74-70-/t89?,90-,91-/m1/s1
HMDB59489	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,45-52,57-64,69,71-73,75-76,91-93,98H,5-8,11-12,15-20,29-32,41-44,53-56,65-68,70,74,77-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,75-71-,76-72-/t91?,92-,93-/m1/s1
HMDB37039	4-O-Methylmelleolide	COC12C(CC1(C)C1CC(C)(C)CC1C=C2C=O)OC(=O)C1=C(C)C=C(O)C=C1O	InChI=1S/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3
HMDB37038	Cyclodehydroisolubimin	CC(=C)C1CCC2(C1)C1COC2(C)CC(=O)C1	InChI=1S/C15H22O2/c1-10(2)11-4-5-15(7-11)12-6-13(16)8-14(15,3)17-9-12/h11-12H,1,4-9H2,2-3H3
HMDB37037	Glycinoeclepin A	CC(CC(O)=O)C1(C)CC=C2C(C(O)=O)=C(CC34CCC(O3)C(C)(C)C4=O)CC(O)C12C	InChI=1S/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)
HMDB37036	Glycinoeclepin C	CC1CC(OC2C=C3C(C(O)=O)=C(CC45CCC(O4)C(C)(C)C5=O)CC(O)C3(C)C12C)\C=C(\C)C(O)=O	InChI=1S/C29H38O8/c1-14(23(31)32)9-17-10-15(2)27(5)21(36-17)12-18-22(24(33)34)16(11-19(30)28(18,27)6)13-29-8-7-20(37-29)26(3,4)25(29)35/h9,12,15,17,19-21,30H,7-8,10-11,13H2,1-6H3,(H,31,32)(H,33,34)/b14-9-
HMDB37035	Glycinoeclepin B	CC(CC(O)\C=C(/C)C(O)=O)C1(C)CC=C2C(C(O)=O)=C(CC34CCC(O3)C(C)(C)C4=O)CC(OC(C)=O)C12C	InChI=1S/C31H42O9/c1-16(25(34)35)12-20(33)13-17(2)29(6)10-8-21-24(26(36)37)19(14-23(30(21,29)7)39-18(3)32)15-31-11-9-22(40-31)28(4,5)27(31)38/h8,12,17,20,22-23,33H,9-11,13-15H2,1-7H3,(H,34,35)(H,36,37)/b16-12+
HMDB37034	Cucurbita-5,24-diene-3,7,23-triol; (3b,7b,22x)-form, 7-O-b-D-Glucopyranoside	CC(CC(O)C=C(C)C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C	InChI=1S/C36H60O8/c1-19(2)15-21(38)16-20(3)22-11-12-36(8)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(9-10-27(39)33(24,4)5)34(31,6)13-14-35(22,36)7/h15,17,20-23,25-32,37-42H,9-14,16,18H2,1-8H3
HMDB37033	28-Hydroxy-14-taraxeren-3-one	CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CCC3(C)C2C1	InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3
HMDB37032	Tirucallol	[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@@H](C)CCC=C(C)C	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25-,26-,28+,29-,30+/m0/s1
HMDB37031	Epicubenol	CC(C)C1CCC(C)C2(O)CCC(C)=CC12	InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3
HMDB37030	1-Epi-bicyclosesquiphellandrene	CC(C)C1CCC(C)C2CCC(=C)C=C12	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3
HMDB57389	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-39,41,44,46-47,50-52,56,58-59,62-64,68,83-85,90H,5-8,10-12,14-20,24,28-32,36,40,42-43,45,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB52872	TG(18:3(6Z,9Z,12Z)/15:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,52H,4-16,18-19,21-25,27,29-32,34,36-51H2,1-3H3/b20-17-,28-26-,35-33-
HMDB52873	TG(18:3(6Z,9Z,12Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32-33,35-36,52H,4-15,18,21-24,29-31,34,37-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,35-32-,36-33-
HMDB52870	TG(18:3(6Z,9Z,12Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-38,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-
HMDB52871	TG(18:3(6Z,9Z,12Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-38,42,45,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,39-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-,45-42-
HMDB52876	TG(18:3(6Z,9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33-34,37-38,41,54H,4-15,18,21-24,28,31-32,35-36,39-40,42-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB52877	TG(18:3(6Z,9Z,12Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,36,39,56H,4-15,18,21-24,28-30,32-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,39-36-
HMDB52874	TG(18:3(6Z,9Z,12Z)/16:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h13,16-17,20,22,25-26,28,33,36,53H,4-12,14-15,18-19,21,23-24,27,29-32,34-35,37-52H2,1-3H3/b16-13-,20-17-,25-22-,28-26-,36-33-
HMDB52875	TG(18:3(6Z,9Z,12Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33-34,37,54H,4-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,37-34-
HMDB52878	TG(18:3(6Z,9Z,12Z)/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35-37,39,56H,4-15,18,21-24,28,32-34,38,40-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-
HMDB52879	TG(18:3(6Z,9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-31,35-37,39,43,46,56H,4-15,18,21-24,28,32-34,38,40-42,44-45,47-55H2,1-3H3/b19-16-,20-17-,27-25-,30-29-,31-26-,37-35-,39-36-,46-43-
HMDB41959	normorphine	OC1C=CC2C3CC4=C5C(OC1C25CCN3)=C(O)C=C4	InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2
HMDB53857	TG(20:3n6/20:2n6/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34-37,59H,4-14,21-23,30-33,38-58H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,37-35-
HMDB29022	Prolyl-Lysine	NCCCCC(N)C(=O)N1CCCC1C(O)=O	InChI=1S/C11H21N3O3/c12-6-2-1-4-8(13)10(15)14-7-3-5-9(14)11(16)17/h8-9H,1-7,12-13H2,(H,16,17)
HMDB41958	normeperidine	CCOC(=O)C1(CCNCC1)C1=CC=CC=C1	InChI=1S/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
HMDB49964	TG(18:1(9Z)/22:1(13Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25-,29-26-,36-27-
HMDB49965	TG(18:1(9Z)/22:1(13Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-29,38,64H,4-24,30-37,39-63H2,1-3H3/b28-25-,29-26-,38-27-
HMDB49966	TG(18:1(9Z)/22:1(13Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h20,23,25,27-29,33-34,59H,4-19,21-22,24,26,30-32,35-58H2,1-3H3/b23-20-,28-25-,33-27-,34-29-
HMDB49967	TG(18:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20,25-28,32-33,38,41,58H,4-16,18-19,21-24,29-31,34-37,39-40,42-57H2,1-3H3/b20-17-,28-25-,32-26-,33-27-,41-38-
HMDB49960	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31-32,35,41,44,57H,4-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,31-27-,35-32-,44-41-
HMDB49961	TG(18:1(9Z)/22:1(13Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h25-28,32-33,58H,4-24,29-31,34-57H2,1-3H3/b28-25-,32-26-,33-27-
HMDB49962	TG(18:1(9Z)/22:1(13Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34,60H,4-24,30-33,35-59H2,1-3H3/b28-25-,29-26-,34-27-
HMDB49963	TG(18:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-29,34-35,38,44,47,60H,4-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b28-25-,29-26-,34-27-,38-35-,47-44-
HMDB57387	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-39,42-45,47,52-53,56-57,64-65,68-69,84-86,91H,5-8,11-12,15-20,23-24,28-30,32,35-36,40-41,46,48-51,54-55,58-63,66-67,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,44-42-,45-43-,47-39-,56-52-,57-53-,68-64-,69-65-/t84?,85-,86-/m1/s1
HMDB53856	TG(20:3n6/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,34,38,41,57H,4-15,17,20,22-24,26,29-30,33,35-37,39-40,42-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,41-38-
HMDB49968	TG(18:1(9Z)/22:1(13Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-28,33,59H,4-13,15-16,18-22,24,29-32,34-58H2,1-3H3/b17-14-,26-23-,28-25-,33-27-
HMDB49969	TG(18:1(9Z)/22:1(13Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34-35,38,60H,4-16,18-19,21-24,30-33,36-37,39-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,38-35-
HMDB57386	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-46-50-54-58-62-66-70-74-87(92)104-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(103-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,37-39,41-42,44-45,50,54,62,66,81-83,88H,5-8,10-12,14-20,22-24,28-29,32,34-36,40,43,46-49,51-53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,30-26-,31-27-,37-33-,42-41-,44-38-,45-39-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB53855	TG(20:3n6/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-
HMDB56730	CL(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-46-/t79?,80-,81-/m1/s1
HMDB53854	TG(20:3n6/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41-42,45,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,43-44,46-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-
HMDB56734	CL(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB44456	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,39,42,48,51,60H,4-16,18-19,21-24,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,42-39-,51-48-
HMDB51598	TG(22:1(13Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,34,40,43,60H,4-17,19-20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b21-18-,28-25-,29-26-,34-27-,43-40-
HMDB56736	CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,39-40,43-44,51-52,55-56,75-77,82H,5-20,23-24,27-32,37-38,41-42,45-50,53-54,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,35-33-,36-34-,43-39-,44-40-,55-51-,56-52-/t76-,77-/m1/s1
HMDB51599	TG(22:1(13Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,61H,4-14,16-17,19-23,30-60H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB34829	Sulfurous acid	OS(O)=O	InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
HMDB34828	Nitrosylsulfuric acid	OS(=O)(=O)ON=O	InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)
HMDB34825	Nitrosyl chloride ((NO)Cl)	ClN=O	InChI=1S/ClNO/c1-2-3
HMDB34824	Ammonium chloride ((NH4)Cl)	[NH4+].[Cl-]	InChI=1S/ClH.H3N/h1H;1H3
HMDB34827	Nitrogen chloride (NCl3)	ClN(Cl)Cl	InChI=1S/Cl3N/c1-4(2)3
HMDB34826	Chlorine oxide	O=[Cl]=O	InChI=1S/ClO2/c2-1-3
HMDB53959	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32-34,36-38,41,58H,4-7,10,13-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-
HMDB58958	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C92H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,65-67,69,71,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-64,68,70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-,69-65-,71-67-/t86?,87-,88-/m1/s1
HMDB51592	TG(22:1(13Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32,34,36,39,42,62H,4-6,8-9,11-15,17-18,20-24,30-31,33,35,37-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,36-27-,42-39-
HMDB51593	TG(22:1(13Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32,34,36,39,42,48,51,62H,4-6,8-9,11-15,17-18,20-24,30-31,33,35,37-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,36-27-,42-39-,51-48-
HMDB51337	TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,34-39,43-48,60H,4-8,10-11,13-17,19-20,22-24,31-33,40-42,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB53088	TG(18:3(6Z,9Z,12Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31-33,37,39-40,42,59H,4-13,15,20,22,24,29-30,34-36,38,41,43-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB53089	TG(18:3(6Z,9Z,12Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31-33,37,39-40,42,46,49,59H,4-13,15,20,22,24,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB53084	TG(18:3(6Z,9Z,12Z)/20:2n6/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-18,21-23,25-27,30,36,39,56H,4-12,15,19-20,24,28-29,31-35,37-38,40-55H2,1-3H3/b16-13-,17-14-,21-18-,25-22-,26-23-,30-27-,39-36-
HMDB51330	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,32-34,36-37,42,45,58H,4-7,10,13-16,19,22-24,30-31,35,38-41,43-44,46-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-
HMDB53086	TG(18:3(6Z,9Z,12Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,31,33,35,37,40-41,44,57H,4-13,15,20,22,24,29-30,32,34,36,38-39,42-43,45-56H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,31-27-,35-33-,40-37-,44-41-
HMDB53087	TG(18:3(6Z,9Z,12Z)/20:2n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,16-19,21,23,25-28,33,39,42,59H,4-13,15,20,22,24,29-32,34-38,40-41,43-58H2,1-3H3/b17-14-,19-16-,21-18-,26-23-,28-25-,33-27-,42-39-
HMDB53080	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-33,36,38-41,43,58H,4-6,8-9,11-15,22-24,29,34-35,37,42,44-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-
HMDB53081	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-28,30-33,36,38-41,43,45,48,58H,4-6,8-9,11-15,22-24,29,34-35,37,42,44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-,48-45-
HMDB53082	TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35-36,38-39,55H,4-16,19,22-25,28,31-34,37,40-54H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,39-36-
HMDB53083	TG(18:3(6Z,9Z,12Z)/20:2n6/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16-18,20-22,25-27,29-30,35-36,38-39,55H,4-12,14-15,19,23-24,28,31-34,37,40-54H2,1-3H3/b16-13-,20-17-,21-18-,25-22-,29-26-,30-27-,38-35-,39-36-
HMDB51332	TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-30,34-39,44,47,60H,4-6,8,11,13-15,17,20,22-24,31-33,40-43,45-46,48-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-
HMDB05949	Lithium	[Li+]	InChI=1S/Li/q+1
HMDB05943	5b-Pregnanediol	CCC1CCC2C3CCC4CCCCC4(C)C3CCC12C	InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3
HMDB56564	CL(16:0/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C76H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,27-29,31-32,34-35,70-72,77H,5-24,26,30,33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,31-27-,32-28-,35-34-/t70?,71-,72-/m1/s1
HMDB56565	CL(16:0/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h25-26,28-30,32,35-38,73-75,80H,5-24,27,31,33-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,32-28-,37-35-,38-36-/t73?,74-,75-/m1/s1
HMDB56566	CL(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36,40,46,50,71-73,78H,5-20,22-24,26,28-30,32,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,31-27-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1
HMDB56567	CL(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H138O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,40,46,50,71-73,78H,5-20,22-24,26,29-30,35,37-39,41-45,47-49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,31-27-,32-28-,34-33-,40-36-,50-46-/t71?,72-,73-/m1/s1
HMDB56560	CL(16:0/16:1(9Z)/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27-28,31-34,69-71,76H,5-26,29-30,35-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,32-28-,34-33-/t69?,70-,71-/m1/s1
HMDB56561	CL(16:0/16:1(9Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h26,28,30,32-33,35,71-73,78H,5-25,27,29,31,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,32-28-,35-33-/t71?,72-,73-/m1/s1
HMDB56562	CL(16:0/16:1(9Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h28,32-36,71-73,78H,5-27,29-31,37-70H2,1-4H3,(H,83,84)(H,85,86)/b32-28-,35-33-,36-34-/t71?,72-,73-/m1/s1
HMDB56563	CL(16:0/16:1(9Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C76H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(84,85)89-65-70(77)64-88-94(82,83)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2/h25,27,29,31,34-35,70-72,77H,5-24,26,28,30,32-33,36-69H2,1-4H3,(H,82,83)(H,84,85)/b29-25-,31-27-,35-34-/t70?,71-,72-/m1/s1
HMDB58955	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C90H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-48-51-55-59-63-67-71-75-88(93)101-80-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)82-104-108(96,97)102-78-84(91)79-103-109(98,99)105-83-86(81-100-87(92)74-70-66-62-58-54-50-47-39-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-39,42-45,47,51,53,55,57,63,65,67,69,84-86,91H,5-8,11-12,15-20,23-24,29-30,35-36,40-41,46,48-50,52,54,56,58-62,64,66,68,70-83H2,1-4H3,(H,96,97)(H,98,99)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-43-,47-39-,55-51-,57-53-,67-63-,69-65-/t84?,85-,86-/m1/s1
HMDB56568	CL(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,27,29-31,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,32-28-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1
HMDB56569	CL(16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,26,28-30,32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB52717	TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,41-42,44-45,63H,4-15,18,22-23,27,31-32,38-40,43,46-62H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,44-41-,45-42-
HMDB44450	TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,34,40,43,52H,4-14,17,20-23,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,34-31-,43-40-
HMDB58954	CL(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-53-57-61-65-69-73-86(91)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-85(90)72-68-64-60-56-52-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,50-51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-49,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-50-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB43623	TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-7,9-10,12-15,18,21-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-
HMDB53952	TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-32,34,38,41,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,33,35-37,39-40,42-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,34-32-,41-38-
HMDB53953	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,60H,4-8,10-11,13-15,22-24,31-33,40-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB58859	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(90,91)96-72-78(85)73-97-103(92,93)99-77-80(75-95-81(86)68-64-60-56-52-48-45-41-38-35-31-27-23-19-15-11-7-3)101-84(89)71-67-63-59-55-51-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,41-43,46-47,53,55,57,59,78-80,85H,5-20,23-24,28-30,32,35,39-40,44-45,48-52,54,56,58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,26-22-,31-27-,36-33-,37-34-,41-38-,46-42-,47-43-,57-53-,59-55-/t78?,79-,80-/m1/s1
HMDB11705	TG(15:0/18:1(9Z)/16:0)[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,49H,4-24,27-48H2,1-3H3/b26-25-/t49-/m1/s1
HMDB11704	TG(15:0/18:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,51H,4-6,8-9,11-15,17-18,20-24,26,28-50H2,1-3H3/b10-7-,19-16-,27-25-/t51-/m1/s1
HMDB11707	TG(15:0/18:1(9Z)/18:1(9Z))[iso3]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25-,28-26-/t51-/m1/s1
HMDB11706	TG(15:0/18:1(9Z)/16:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,25-26,49H,4-19,21-22,24,27-48H2,1-3H3/b23-20-,26-25-/t49-/m1/s1
HMDB11701	TG(15:0/16:0/20:3(8Z,11Z,14Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,51H,4-15,17-18,20-24,27,29,31-50H2,1-3H3/b19-16-,26-25-,30-28-/t51-/m1/s1
HMDB11700	TG(15:0/16:0/20:2(11Z,14Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,51H,4-15,17-18,20-24,27-50H2,1-3H3/b19-16-,26-25-/t51-/m1/s1
HMDB11703	TG(15:0/18:0/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,51H,4-15,17-18,20-24,26,28-50H2,1-3H3/b19-16-,27-25-/t51-/m1/s1
HMDB11702	TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,30,35,38,51H,4-15,17-18,20-24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,26-25-,30-28-,38-35-/t51-/m1/s1
HMDB11709	TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,51H,4-6,8-9,11-15,17-18,20-24,29-50H2,1-3H3/b10-7-,19-16-,27-25-,28-26-/t51-/m1/s1
HMDB11708	TG(15:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,51H,4-15,17-18,20-24,29-50H2,1-3H3/b19-16-,27-25-,28-26-/t51-/m1/s1
HMDB52025	TG(24:1(15Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,51,54,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-50,52-53,55-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-,54-51-
HMDB52024	TG(24:1(15Z)/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-
HMDB52027	TG(24:1(15Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,47,50,56,59,70H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-,50-47-,59-56-
HMDB52026	TG(24:1(15Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,38,41,47,50,70H,4-8,10-11,13-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,41-38-,50-47-
HMDB52021	TG(24:1(15Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,47,50,56,59,70H,4-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-55,57-58,60-69H2,1-3H3/b21-18-,28-25-,30-27-,41-38-,50-47-,59-56-
HMDB52020	TG(24:1(15Z)/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C73H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,47,50,70H,4-17,19-20,22-24,26,29,31-37,39-40,42-46,48-49,51-69H2,1-3H3/b21-18-,28-25-,30-27-,41-38-,50-47-
HMDB52023	TG(24:1(15Z)/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,40,46,49,66H,4-8,10-11,13-17,19-20,22-24,26,29-39,41-45,47-48,50-65H2,1-3H3/b12-9-,21-18-,28-25-,40-27-,49-46-
HMDB46805	TG(22:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,36,41,44,63H,4-16,18-19,21-25,27-28,30-33,35,37-40,42-43,45-62H2,1-3H3/b20-17-,29-26-,36-34-,44-41-
HMDB52029	TG(24:1(15Z)/14:1(9Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,62H,4-14,16-17,19-23,28-61H2,1-3H3/b18-15-,26-24-,27-25-
HMDB52028	TG(24:1(15Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H134O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,67H,4-24,26-27,29-66H2,1-3H3/b28-25-
HMDB55039	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-33,36,38-41,43,45,48,58H,4-7,9-10,12-15,22-24,29,34-35,37,42,44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-,48-45-
HMDB55038	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-33,36,39-40,43,45,48,58H,4-7,9-10,12-15,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-
HMDB04305	Farnesol	CC(C)=CCC\C(C)=C\CC\C(C)=C\CO	InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
HMDB04304	Nivalenol	[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)([C@H](O)[C@H]1O)[C@@]21CO1	InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15-/m1/s1
HMDB57769	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-38,42-47,52-54,56-58,64-65,68-69,85-87,92H,5-8,10,12,14,16-20,24,29-31,39-41,48-51,55,59-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-/t85?,86-,87-/m1/s1
HMDB57768	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-8,10-12,14-20,24,29-31,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57765	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-38,42-47,52-54,56-58,65,69,85-87,92H,5-8,10,12,14,16-20,24,29-31,39-41,48-51,55,59-64,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-/t85?,86-,87-/m1/s1
HMDB44553	TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,40,43,56H,4-6,9,12-15,18,21-24,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB57767	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-8,10-12,14-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79?,80-,81-/m1/s1
HMDB57766	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-28,32-38,42-47,52-54,56-58,65-66,69-70,85-87,92H,5-8,10,12,14,16-20,24,29-31,39-41,48-51,55,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB57761	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-37,40-44,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,38-39,45-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB57760	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,29-30,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB04309	Triterpenoid	[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(COS(O)(=O)=O)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H48O7S/c1-25(2)13-15-30(24(32)33)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(31)27(4,18-37-38(34,35)36)21(26)9-12-29(22,28)6/h7,20-23,31H,8-18H2,1-6H3,(H,32,33)(H,34,35,36)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
HMDB04308	7,9-Dimethyluric acid	CN1C(=O)N(C)C2=C1NC(=O)NC2=O	InChI=1S/C7H8N4O3/c1-10-3-4(11(2)7(10)14)8-6(13)9-5(3)12/h1-2H3,(H2,8,9,12,13)
HMDB53956	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-
HMDB52680	TG(18:2(9Z,12Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)57-64-59(61)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,36,58H,4-15,17-18,21-22,24,26-27,30-31,34-35,37-57H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,36-33-
HMDB44219	TG(16:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,41-38-,50-47-
HMDB53957	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-41,43,49,52,62H,4-8,10-11,13-15,22-24,31,33-34,37,42,44-48,50-51,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,43-40-,52-49-
HMDB51644	TG(22:1(13Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-
HMDB51645	TG(22:1(13Z)/22:1(13Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,63H,4-24,27,30-62H2,1-3H3/b28-25-,29-26-
HMDB51646	TG(22:1(13Z)/24:1(15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-
HMDB51647	TG(22:1(13Z)/24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,70H,4-24,31-69H2,1-3H3/b28-25-,29-26-,30-27-
HMDB51640	TG(22:1(13Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,45-42-
HMDB51641	TG(22:1(13Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,64H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB51642	TG(22:1(13Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,41,47,50,64H,4-8,10-11,13-17,19-20,22-24,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,41-38-,50-47-
HMDB51643	TG(22:1(13Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-30,34,37,43,46,66H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,46-43-
HMDB53954	TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43,46,60H,4-8,10-11,13-15,22-24,31-33,40-42,44-45,47-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-
HMDB51648	TG(22:1(13Z)/24:1(15Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,39,65H,4-20,22-23,27,31-38,40-64H2,1-3H3/b24-21-,28-25-,29-26-,39-30-
HMDB51649	TG(22:1(13Z)/24:1(15Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,38,44,47,64H,4-17,19-20,22-24,30-37,39-43,45-46,48-63H2,1-3H3/b21-18-,28-25-,29-26-,38-27-,47-44-
HMDB58852	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-8,10-12,14-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB56862	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-27,31,33-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,28-30,32,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB09304	PE(20:2(11Z,14Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45H,3-11,13,15-16,21-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-/t45-/m1/s1
HMDB09305	PE(20:2(11Z,14Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45H,3-10,15-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-/t45-/m1/s1
HMDB09306	PE(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,45H,3-10,15-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1
HMDB09307	PE(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,34,36,45H,3-10,15-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1
HMDB09300	PE(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,43H,3-10,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1
HMDB09301	PE(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,43H,3-5,7,9-10,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t43-/m1/s1
HMDB09302	PE(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,43H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1
HMDB09303	PE(20:2(11Z,14Z)/22:0)	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45H,3-11,13,15-17,19,21-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-/t45-/m1/s1
HMDB09308	PE(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,28,30,45H,3-4,6,8-10,15-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1
HMDB09309	PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,28,30,34,36,45H,3-4,6,8-10,15-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1
HMDB35963	(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid	C\C=C\C=C\C#C\C=C/CCCCCCCCC(O)=O	InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-9H,10-17H2,1H3,(H,19,20)/b3-2+,5-4+,9-8-
HMDB35962	Ganoderic acid U	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C30H48O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,22-24,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+
HMDB35961	Artonin D	CC1=CC(C(C(C1)C1=CC=C(O)C=C1O)C(=O)C1=CC=C2OC(C)(C)C=CC2=C1O)C1=C(O)C(=CC=C1O)C(=O)\C=C\C1=CC=C(O)C=C1O	InChI=1S/C40H36O10/c1-20-16-28(24-8-7-23(42)19-33(24)46)35(39(49)27-10-13-34-26(37(27)47)14-15-40(2,3)50-34)29(17-20)36-31(44)12-9-25(38(36)48)30(43)11-5-21-4-6-22(41)18-32(21)45/h4-15,17-19,28-29,35,41-42,44-48H,16H2,1-3H3/b11-5+
HMDB35960	Masticadienediol	CC(CC\C=C(\C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C	InChI=1S/C30H50O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,21-23,25-26,31-32H,8,10,12-19H2,1-7H3/b20-9-
HMDB35967	24-Methylcycloart-23-en-3beta-yl acetate	CC(C)C(\C)=C\CC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC(C)=O)C4(C)C	InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h10,21,23,25-28H,11-20H2,1-9H3/b22-10+
HMDB35966	Momordicin II	CC(CC(OC1OC(CO)C(O)C(O)C1O)C=C(C)C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O	InChI=1S/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3
HMDB35965	5beta-1,3,7(11)-Eudesmatrien-8-one	CC(C)=C1CC2C(C)=CC=CC2(C)CC1=O	InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-7,13H,8-9H2,1-4H3
HMDB35964	Artonin C	CC(C)\C=C\C1=C(O)C(=CC=C1O)C(=O)C1C(CC(C)=CC1C1=C(O)C(=CC=C1O)C(=O)\C=C\C1=CC=C(O)C=C1O)C1=CC=C(O)C=C1O	InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-15,17-20,29-30,36,41-42,44-49H,16H2,1-3H3/b9-4+,13-6+
HMDB35969	Cycloartanol	[H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCCC(C)C)CC[C@H](O)C3(C)C	InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
HMDB35968	Cyclosadol	CC(C)C(\C)=C\CC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C	InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h9,20,22-26,32H,10-19H2,1-8H3/b21-9+
HMDB02466	3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
HMDB02467	A-Ketoglutaric acid oxime	O\N=C(/CCC(O)=O)C(O)=O	InChI=1S/C5H7NO5/c7-4(8)2-1-3(6-11)5(9)10/h11H,1-2H2,(H,7,8)(H,9,10)/b6-3+
HMDB41748	Isoferulic acid 3-sulfate	[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C(OS(=O)(=O)O[H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+
HMDB41749	Isoferuloyl C1-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(OC([H])([H])[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C16H18O10/c1-24-9-4-2-7(6-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16-17,19-21H,1H3,(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1
HMDB53868	TG(20:3n6/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,35,58H,4-13,15,18,20-22,24,27,29-32,34,36-57H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,35-33-
HMDB53869	TG(20:3n6/20:3n6/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,60H,4-15,22-24,31-33,40-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
HMDB41740	Glycitein 4'-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])OC3=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C3C2=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C22H20O11/c1-30-15-6-11-14(7-13(15)23)31-8-12(16(11)24)9-2-4-10(5-3-9)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1
HMDB41741	Glycitein 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C(OC([H])([H])[H])C([H])=C3C(=O)C(=C([H])OC3=C2[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C22H20O11/c1-30-14-6-11-13(31-8-12(16(11)24)9-2-4-10(23)5-3-9)7-15(14)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1
HMDB41742	Hesperetin 3',7-O-diglucuronide	[H]OC(=C([H])[H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C(=O)C([H])([H])C([H])(O3)C2=C([H])C([H])=C(OC([H])([H])[H])C(O[C@]3([H])O[C@]([H])(C(O[H])=C([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C30H34O16/c1-10(31)27-23(37)21(35)25(39)29(45-27)42-13-7-14(33)20-15(34)9-17(43-19(20)8-13)12-4-5-16(41-3)18(6-12)44-30-26(40)22(36)24(38)28(46-30)11(2)32/h4-8,17,21-33,35-40H,1-2,9H2,3H3/t17?,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1
HMDB41743	Hesperetin 3'-O-glucuronide	[H]OC(=C([H])[H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C(=C([H])C([H])=C2OC([H])([H])[H])C2([H])OC3=C(C(O[H])=C([H])C(O[H])=C3[H])C(=O)C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C23H24O11/c1-9(24)22-20(29)19(28)21(30)23(34-22)33-16-5-10(3-4-14(16)31-2)15-8-13(27)18-12(26)6-11(25)7-17(18)32-15/h3-7,15,19-26,28-30H,1,8H2,2H3/t15?,19-,20-,21+,22+,23+/m0/s1
HMDB41744	Hesperetin 5,7-O-diglucuronide	[H]OC(=C([H])[H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[C@]4([H])O[C@]([H])(C(O[H])=C([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])=C2[H])C(=O)C([H])([H])C([H])(O3)C2=C([H])C([H])=C(OC([H])([H])[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C30H34O16/c1-10(31)27-23(37)21(35)25(39)29(45-27)42-13-7-18-20(15(34)9-17(43-18)12-4-5-16(41-3)14(33)6-12)19(8-13)44-30-26(40)22(36)24(38)28(46-30)11(2)32/h4-8,17,21-33,35-40H,1-2,9H2,3H3/t17?,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1
HMDB41745	Hesperetin 7-O-glucuronide	[H]OC(=C([H])[H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C(O[H])=C2[H])C(=O)C([H])([H])C([H])(O3)C2=C([H])C([H])=C(OC([H])([H])[H])C(O[H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C23H24O11/c1-9(24)22-20(29)19(28)21(30)23(34-22)32-11-6-13(26)18-14(27)8-16(33-17(18)7-11)10-3-4-15(31-2)12(25)5-10/h3-7,16,19-26,28-30H,1,8H2,2H3/t16?,19-,20-,21+,22+,23+/m0/s1
HMDB41746	Irisolidone 7-O-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C(OC([H])([H])[H])C(O[H])=C3C(=O)C(=C([H])OC3=C2[H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)11-8-33-12-7-13(20(32-2)16(25)14(12)15(11)24)34-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17-,18-,19+,21-,23+/m0/s1
HMDB41747	Isoferulic acid 3-O-glucuronide	[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C(O[C@]2([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C(OC([H])([H])[H])C([H])=C1[H]	InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1
HMDB58850	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(104-87(92)74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,37-40,42-46,49,53,61,65,82-84,89H,5-8,10-12,14-20,22-24,29,34-36,41,47-48,50-52,54-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,30-26-,31-27-,32-28-,37-33-,43-42-,44-38-,45-39-,46-40-,53-49-,65-61-/t82?,83-,84-/m1/s1
HMDB49519	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28-29,31-32,34,38,41,59H,4-15,17-18,22,26-27,30,33,35-37,39-40,42-58H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,32-31-,34-29-,41-38-
HMDB49518	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,37,43,46,64H,4-16,18-19,22-23,27,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-34-,46-43-
HMDB49515	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,39,42,60H,4-15,17-18,20,22-23,27,30,32,34-38,40-41,43-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,42-39-
HMDB49514	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-20,23,25,27-28,30-31,33,37,40,58H,4-15,17-18,21-22,24,26,29,32,34-36,38-39,41-57H2,1-3H3/b19-16-,23-20-,28-25-,31-30-,33-27-,40-37-
HMDB49517	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,33,35,41,44,62H,4-16,18-19,22-23,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,35-33-,44-41-
HMDB49516	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,17-18,20,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB49511	TG(18:1(11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,18,22-23,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,43-40-,52-49-
HMDB49510	TG(18:1(11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32,34,40,43,62H,4-6,8-9,11-15,18,22-23,27,30-31,33,35-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,43-40-
HMDB49513	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,30-31,37,40,58H,4-15,17-18,22,26-27,29,32-36,38-39,41-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,40-37-
HMDB49512	TG(18:1(11Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,59H,4-15,17-18,20,22-23,26-27,29-58H2,1-3H3/b19-16-,24-21-,28-25-
HMDB07456	DG(20:3(5Z,8Z,11Z)/20:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23,25,29,31,41,44H,3-16,21-22,24,26-28,30,32-40H2,1-2H3/b19-17-,20-18-,25-23-,31-29-/t41-/m0/s1
HMDB07457	DG(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23,25,29,31,41,44H,3-11,13,15-16,21-22,24,26-28,30,32-40H2,1-2H3/b14-12-,19-17-,20-18-,25-23-,31-29-/t41-/m0/s1
HMDB07454	DG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-23,26-29,39,42H,3-5,7,9-11,13,15-16,20,24-25,30-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1
HMDB07455	DG(20:3(5Z,8Z,11Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,23,25,29,31,41,44H,3-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b19-17-,25-23-,31-29-/t41-/m0/s1
HMDB07452	DG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,26-29,39,42H,3-11,13,15-16,20,24-25,30-38H2,1-2H3/b14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1
HMDB07453	DG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-23,27,29,39,42H,3-5,7,9-11,13,15-16,20,24-26,28,30-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB07450	DG(20:3(5Z,8Z,11Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17-19,21-23,27,29,39,42H,3-16,20,24-26,28,30-38H2,1-2H3/b19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB07451	DG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-23,27,29,39,42H,3-11,13,15-16,20,24-26,28,30-38H2,1-2H3/b14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
HMDB54074	TG(20:4(5Z,8Z,11Z,14Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,62H,4-7,9-10,12-16,19,22-25,28,31-35,38,41-44,47,50-61H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-
HMDB54075	TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-
HMDB54076	TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,38,41-42,45,47,50-51,54,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,52-53,55-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-,54-51-
HMDB12974	Hypothiocyanite	OSC#N	InChI=1S/CHNOS/c2-1-4-3/h3H
HMDB12973	Hydrazine	NN	InChI=1S/H4N2/c1-2/h1-2H2
HMDB44555	TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32,34,36-37,39,45,48,58H,4-6,9,12-15,18,21-24,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-
HMDB12971	1-Hexanol	CCCCCCO	InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
HMDB07459	DG(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,23-26,29,31,41,44H,3-11,13,15-16,21-22,27-28,30,32-40H2,1-2H3/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t41-/m0/s1
HMDB58851	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,37-40,42,44-46,48,50,52,54,60,62,64,66,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,47,49,51,53,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,52-48-,54-50-,64-60-,66-62-/t83?,84-,85-/m1/s1
HMDB58856	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,42,44-47,51-52,56,59,63-64,68,83-85,90H,5-20,23-24,29-30,35-36,41,43,48-50,53-55,57-58,60-62,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,51-47-,56-52-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB50516	TG(20:1(11Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,60H,4-15,17-18,20-24,31-33,35-36,38-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-
HMDB50515	TG(20:1(11Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-29,59H,4-14,16-17,19-23,30-58H2,1-3H3/b18-15-,27-24-,28-25-,29-26-
HMDB50514	TG(20:1(11Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,38,41,58H,4-17,19-20,22-24,30-31,33-37,39-40,42-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-,41-38-
HMDB50513	TG(20:1(11Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-30,33,59H,4-20,22-23,27,31-32,34-58H2,1-3H3/b24-21-,28-25-,29-26-,33-30-
HMDB50512	TG(20:1(11Z)/20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-
HMDB50511	TG(20:1(11Z)/20:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-30,62H,4-24,31-61H2,1-3H3/b28-25-,29-26-,30-27-
HMDB50510	TG(20:1(11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,34,37,43,46,60H,4-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b28-25-,29-26-,30-27-,37-34-,46-43-
HMDB50519	TG(20:1(11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,32,35,40,43,62H,4-15,17-18,20-24,31,33-34,36-39,41-42,44-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,43-40-
HMDB50518	TG(20:1(11Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,62H,4-15,17-18,20-24,31-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-
HMDB58857	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-28,31-34,37-40,42,44-47,51-52,56,59,63,83-85,90H,5-8,10-12,14-20,23-24,29-30,35-36,41,43,48-50,53-55,57-58,60-62,64-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,44-42-,45-39-,46-40-,51-47-,56-52-,63-59-/t83?,84-,85-/m1/s1
HMDB58854	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-48-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-40,43-48,52,54,56,58,64,66,68,70,85-87,92H,5-8,11-12,15-20,23-24,29-30,35-36,41-42,49-51,53,55,57,59-63,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,56-52-,58-54-,68-64-,70-66-/t85?,86-,87-/m1/s1
HMDB00108	Ethanol	CCO	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
HMDB00101	Deoxyadenosine	NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1	InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
HMDB00107	Galactitol	OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
HMDB35541	8,10-Octacosanedione	CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC	InChI=1S/C28H54O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28(30)26-27(29)24-22-20-8-6-4-2/h3-26H2,1-2H3
HMDB35540	10,12-Octacosanedione	CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	InChI=1S/C28H54O2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-28(30)26-27(29)24-22-20-18-10-8-6-4-2/h3-26H2,1-2H3
HMDB35543	6,8-Octacosanedione	CCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C28H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-6-4-2/h3-26H2,1-2H3
HMDB38710	4,7'-Epoxy-3',4',5,9,9'-lignanepentol; (7'R,8'R)-form, 3'-Me ether, 9'-O-b-D-glucopyranoside	COC1=C(O)C=CC(=C1)C1OC2=C(C=C(CCCO)C=C2O)C1COC1OC(CO)C(O)C(O)C1O	InChI=1S/C25H32O11/c1-33-18-9-13(4-5-16(18)28)23-15(11-34-25-22(32)21(31)20(30)19(10-27)35-25)14-7-12(3-2-6-26)8-17(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3
HMDB32759	Moschamine	COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)=CC=C1O	InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+
HMDB32758	Ethyl 3-methyl-9H-carbazole-9-carboxylate	CCOC(=O)N1C2=C(C=CC=C2)C2=C1C=CC(C)=C2	InChI=1S/C16H15NO2/c1-3-19-16(18)17-14-7-5-4-6-12(14)13-10-11(2)8-9-15(13)17/h4-10H,3H2,1-2H3
HMDB32755	Methyl 1-methoxy-1H-indole-3-carboxylate	CON1C=C(C(=O)OC)C2=C1C=CC=C2	InChI=1S/C11H11NO3/c1-14-11(13)9-7-12(15-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3
HMDB32754	Isomurisolenin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CC\C=C\CCCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30-27-29(26-28(2)36)35(39)40-30/h14,17,29-34,37-38H,3-13,15-16,18-27H2,1-2H3/b17-14+
HMDB32757	3-Methyl-9H-carbazole-9-carboxaldehyde	CC1=CC2=C(C=C1)N(C=O)C1=C2C=CC=C1	InChI=1S/C14H11NO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)15(14)9-16/h2-9H,1H3
HMDB32756	N-Methyl-1H-indole-3-propanamide	CNC(=O)CCC1=CNC2=C1C=CC=C2	InChI=1S/C12H14N2O/c1-13-12(15)7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
HMDB32751	S-1-Propenyl 2-propenesulfinothioate	C\C=C\SS(=O)CC=C	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-5H,2,6H2,1H3/b5-3+
HMDB32750	S-2-Propenyl 1-propenesulfinothioate	C\C=C\S(=O)SCC=C	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
HMDB32753	1-Propenyl 2-propenyl disulfide, 9CI; (Z)-form, 4-Oxide	C\C=C/SS(=O)CC=C	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-5H,2,6H2,1H3/b5-3-
HMDB32752	1-Propenyl 2-propenyl disulfide, 9CI; (Z)-form, 5-Oxide	C\C=C/S(=O)SCC=C	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4-
HMDB01472	Guanosine pentaphosphate adenosine	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	InChI=1S/C20H29N10O23P5/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(48-18)1-46-54(36,37)50-56(40,41)52-58(44,45)53-57(42,43)51-55(38,39)47-2-7-11(32)13(34)19(49-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
HMDB01473	Dihydroxyacetone phosphate	OCC(=O)COP(O)(O)=O	InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
HMDB01470	Tiglic acid	C\C=C(/C)C(O)=O	InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
HMDB01471	Epipregnanolone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
HMDB01476	3-Hydroxyanthranilic acid	NC1=C(O)C=CC=C1C(O)=O	InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
HMDB38715	Alloathyriol	COC1=CC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C=C1O	InChI=1S/C14H10O6/c1-19-11-4-7-10(5-8(11)16)20-12-3-6(15)2-9(17)13(12)14(7)18/h2-5,15-17H,1H3
HMDB01474	3,4-Dihydroxyphenylglycol O-sulfate	OCC(O)C1=CC(O)=C(OS(O)(=O)=O)C=C1	InChI=1S/C8H10O7S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,9-11H,4H2,(H,12,13,14)
HMDB01475	Zirconium	[Zr+4]	InChI=1S/Zr/q+4
HMDB47379	TG(24:0/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,39,65H,4-16,18-19,22-23,25,27-28,31-38,40-64H2,1-3H3/b20-17-,24-21-,29-26-,39-30-
HMDB35546	8,10-Heptacosanedione	CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC	InChI=1S/C27H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27(29)25-26(28)23-21-19-8-6-4-2/h3-25H2,1-2H3
HMDB55859	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,50,53,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-49,51-52,54-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-
HMDB55858	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-
HMDB46778	TG(22:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,37,43,46,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,46-43-
HMDB46779	TG(22:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,46-43-,55-52-
HMDB38618	Acidissiminol	CC(C)=CCC(O)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1	InChI=1S/C25H31NO3/c1-19(2)9-14-24(27)20(3)16-18-29-23-12-10-21(11-13-23)15-17-26-25(28)22-7-5-4-6-8-22/h4-13,16,24,27H,14-15,17-18H2,1-3H3,(H,26,28)/b20-16+
HMDB38619	Acidissiminin	CCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1	InChI=1S/C43H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-42(45)48-41(31-26-36(2)3)37(4)33-35-47-40-29-27-38(28-30-40)32-34-44-43(46)39-23-20-19-21-24-39/h19-21,23-24,26-30,33,41H,5-18,22,25,31-32,34-35H2,1-4H3,(H,44,46)/b37-33+
HMDB38616	Trigofoenoside G	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C56H92O27/c1-21(18-73-49-43(68)40(65)37(62)31(16-57)78-49)8-13-56(72)22(2)34-30(83-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)77-52-45(70)41(66)38(63)33(80-52)20-75-53-48(82-51-44(69)39(64)35(60)23(3)76-51)46(71)47(32(17-58)79-53)81-50-42(67)36(61)29(59)19-74-50/h6,21-23,25-53,57-72H,7-20H2,1-5H3
HMDB38617	Trigofoenoside E1	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O	InChI=1S/C51H84O22/c1-21(19-65-45-40(61)38(59)36(57)31(17-52)69-45)9-14-51(64-6)22(2)33-30(73-51)16-28-26-8-7-24-15-25(10-12-49(24,4)27(26)11-13-50(28,33)5)68-48-44(72-47-41(62)37(58)34(55)23(3)67-47)42(63)43(32(18-53)70-48)71-46-39(60)35(56)29(54)20-66-46/h7,21-23,25-48,52-63H,8-20H2,1-6H3
HMDB38614	gamma-L-Glutamyl-L-pipecolic acid	NC(CCC(=O)N1CCCCC1C(O)=O)C(O)=O	InChI=1S/C11H18N2O5/c12-7(10(15)16)4-5-9(14)13-6-2-1-3-8(13)11(17)18/h7-8H,1-6,12H2,(H,15,16)(H,17,18)
HMDB38615	Trigofoenoside F	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C51H84O23/c1-20(18-66-45-41(62)38(59)34(55)29(16-52)70-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)69-47-43(64)39(60)36(57)31(72-47)19-67-48-44(40(61)35(56)30(17-53)71-48)73-46-42(63)37(58)33(54)22(3)68-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3
HMDB38612	Azukisaponin I	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1	InChI=1S/C42H68O13/c1-37(2)17-21-20-9-10-24-40(6)13-12-26(38(3,4)23(40)11-14-42(24,8)41(20,7)16-15-39(21,5)25(44)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51)55-35-31(49)28(46)27(45)22(19-43)52-35/h9,21-33,35-36,43-49H,10-19H2,1-8H3,(H,50,51)
HMDB38613	gamma-L-Glutamyl-L-methionine sulfoxide	CS(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C10H18N2O6S/c1-19(18)5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)
HMDB38610	Gibberellin A4; b-D-Glucopyranosyl ester	CC12C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)C45CC(CCC4C3(CCC1O)OC2=O)C(=C)C5	InChI=1S/C25H34O10/c1-10-7-24-8-11(10)3-4-13(24)25-6-5-14(27)23(2,22(32)35-25)19(25)15(24)20(31)34-21-18(30)17(29)16(28)12(9-26)33-21/h11-19,21,26-30H,1,3-9H2,2H3
HMDB38611	Gibberellin A37 glucosyl ester	CC12C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)C45CC(CCC4C3(CCC1O)COC2=O)C(=C)C5	InChI=1S/C26H36O10/c1-11-7-26-8-12(11)3-4-14(26)25-6-5-15(28)24(2,23(33)34-10-25)20(25)16(26)21(32)36-22-19(31)18(30)17(29)13(9-27)35-22/h12-20,22,27-31H,1,3-10H2,2H3
HMDB30443	Okadaic acid; 35S-Methyl, 7-O-hexadecanoyl	CCCCCCCCCCCCCCCC(=O)OC1CCC(CC(C)(O)C(O)=O)OC11OC(CC(C)=C1)C(C)\C=C\C1CCC2(CCC3OC(C(O)CC(C)C4OC5(CCC4C)OCCCC5C)C(=C)C(O)C3O2)O1	InChI=1S/C61H100O14/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-52(63)70-51-28-27-47(39-58(8,67)57(65)66)72-61(51)38-40(2)36-50(73-61)41(3)25-26-46-30-32-59(71-46)33-31-49-56(74-59)53(64)45(7)55(69-49)48(62)37-43(5)54-42(4)29-34-60(75-54)44(6)23-22-35-68-60/h25-26,38,41-44,46-51,53-56,62,64,67H,7,9-24,27-37,39H2,1-6,8H3,(H,65,66)/b26-25+
HMDB30442	Dinophysistoxin 1	CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C3CC(C)=CC4(OC(CC(C)(O)C(O)=O)CCC4O)O3)OC2C(O)C1=C)C1OC2(CCC1C)OCCCC2C	InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+
HMDB30441	Okadaic acid	CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C3CC(C)=CC4(OC(CC(C)(O)C(O)=O)CCC4O)O3)OC2C(O)C1=C)C1OC2(CCCCO2)CCC1C	InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+
HMDB30440	Rollidecin A	CCCCCCCCCCC(O)C(O)CCC(O)C1CCC(O1)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1	InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)32(40)20-21-33(41)34-23-24-36(45-34)35-22-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
HMDB30447	Phomopsin A	CC\C(C)=C(\NC(=O)C1C=CCN1C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)C2=CC(OC1(C)CC)=C(O)C(Cl)=C2)C(C)=C)C(=O)N\C(=C\C(O)=O)C(O)=O	InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-20(35(53)54)15-23(44)45)41-30(48)21-11-10-12-43(21)34(52)29-36(6,9-2)55-22-14-18(13-19(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-11,13-15,21,24,26-27,29,38,46-47H,3,8-9,12H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)/b20-15+,25-17+
HMDB30446	Grifolin	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C=C(C)C=C1O	InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-21(23)14-19(5)15-22(20)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
HMDB30445	Bullatetrocin	CCC(O)C(O)CCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C37H66O8/c1-3-29(38)30(39)19-15-12-13-17-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-16-11-9-7-5-4-6-8-10-14-18-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
HMDB30444	Squamotacin	CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
HMDB30449	20-Deoxynarasin	CCC(C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C4CCC(O)(CC)C(C)O4)CC=C3)C(C)CC2C)C(C)CC1C)C(O)=O	InChI=1S/C43H72O10/c1-12-31(35(45)28(8)34(44)29(9)36-24(4)22-25(5)37(50-36)32(13-2)39(46)47)38-26(6)23-27(7)43(51-38)18-15-17-42(53-43)21-20-40(11,52-42)33-16-19-41(48,14-3)30(10)49-33/h15,18,24-34,36-38,44,48H,12-14,16-17,19-23H2,1-11H3,(H,46,47)
HMDB30448	Narasin	CCC(C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C4CCC(O)(CC)C(C)O4)C(O)C=C3)C(C)CC2C)C(C)CC1C)C(O)=O	InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)
HMDB46772	TG(22:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,37,43,46,66H,4-15,17,20,22-24,26,29,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,46-43-
HMDB36724	ent-17-Hydroxy-15-kauren-19-oic acid	CC12CCCC(C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O	InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)
HMDB36725	ent-17-Oxo-15-kauren-19-oic acid	CC12CCCC(C)(C1CCC13CC(CCC21)C(C=O)=C3)C(O)=O	InChI=1S/C20H28O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11-13,15-16H,3-10H2,1-2H3,(H,22,23)
HMDB36726	ent-15-Kaurene-17,19-dioic acid	CC12CCCC(C)(C1CCC13CC(CCC21)C(=C3)C(O)=O)C(O)=O	InChI=1S/C20H28O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h11-12,14-15H,3-10H2,1-2H3,(H,21,22)(H,23,24)
HMDB33931	Xanthoxyletin	COC1=C2C=CC(=O)OC2=CC2=C1C=CC(C)(C)O2	InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
HMDB36720	Verimol H	COC1=CC=C(C=C1)C1OC(C)C(OC1C)C1=CC=C(OC)C=C1	InChI=1S/C20H24O4/c1-13-19(15-5-9-17(21-3)10-6-15)24-14(2)20(23-13)16-7-11-18(22-4)12-8-16/h5-14,19-20H,1-4H3
HMDB36721	ent-17-Hydroxy-16beta-kauran-19-al	CC1(CCCC2(C)C3CCC4CC3(CC4CO)CCC12)C=O	InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h13-17,21H,3-12H2,1-2H3
HMDB36722	17,19-Kauranediol; (ent-16b)-form, 19-Aldehyde, 17-Ac	CC(=O)OCC1CC23CC1CCC2C1(C)CCCC(C)(C=O)C1CC3	InChI=1S/C22H34O3/c1-15(24)25-13-17-12-22-10-7-18-20(2,14-23)8-4-9-21(18,3)19(22)6-5-16(17)11-22/h14,16-19H,4-13H2,1-3H3
HMDB36723	(ent-16alpha)-16-Kauranol	CC1(O)CC23CC1CCC2C1(C)CCCC(C)(C)C1CC3	InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3
HMDB33938	D-Chicoric acid	OC(=O)C(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(OC(=O)\C=C/C1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3-,8-4-
HMDB33939	Domoic acid	CC(\C=C/C=C(\C)C1CNC(C1CC(O)=O)C(O)=O)C(O)=O	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4+
HMDB36728	ent-16-Kauren-19-al	CC1(CCCC2(C)C3CCC4CC3(CC4=C)CCC12)C=O	InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3
HMDB36729	16-Kauren-19-ol; ent-form, 19-Carboxylic acid, Me ester	COC(=O)C1(C)CCCC2(C)C3CCC4CC3(CC4=C)CCC12	InChI=1S/C21H32O2/c1-14-12-21-11-8-16-19(2,17(21)7-6-15(14)13-21)9-5-10-20(16,3)18(22)23-4/h15-17H,1,5-13H2,2-4H3
HMDB46777	TG(22:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,38,41,47,50,64H,4-8,10-11,13-16,19,22-25,28,31-37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,41-38-,50-47-
HMDB35193	1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol	OCCCC(O)C1=NC=CC2=C1NC1=C2C=CC=C1	InChI=1S/C15H16N2O2/c18-9-3-6-13(19)15-14-11(7-8-16-15)10-4-1-2-5-12(10)17-14/h1-2,4-5,7-8,13,17-19H,3,6,9H2
HMDB35190	Chlorohydrin	CC#CC#CC#CC#C\C=C\C(Cl)CO	InChI=1S/C13H9ClO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h10-11,13,15H,12H2,1H3/b11-10+
HMDB35191	(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol	OCC(O)CC(O)C1=NC=CC2=C1NC1=C2C=CC=C1	InChI=1S/C15H16N2O3/c18-8-9(19)7-13(20)15-14-11(5-6-16-15)10-3-1-2-4-12(10)17-14/h1-6,9,13,17-20H,7-8H2
HMDB35196	Harman	CC1=NC=CC2=C1NC1=C2C=CC=C1	InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
HMDB35197	Harmanine	CC1=N(=O)C=CC2=C1NC1=C2C=CC=C1	InChI=1S/C12H10N2O/c1-8-12-10(6-7-14(8)15)9-4-2-3-5-11(9)13-12/h2-7,13H,1H3
HMDB35194	beta-Tocopheryl quinone	CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C=C(C)C1=O	InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7,31)18-16-25-24(6)26(29)19-23(5)27(25)30/h19-22,31H,8-18H2,1-7H3
HMDB35195	cis-6-Nitro-p-mentha-1(7),2-diene	CC(C)C1CC(C(=C)C=C1)N(=O)=O	InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9-10H,3,6H2,1-2H3
HMDB35198	Sesquithujene	CC(CCC=C(C)C)C12CC1C(C)=CC2	InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3
HMDB35199	Sesquisabinene hydrate	CC(CCC=C(C)C)C12CC1C(C)(O)CC2	InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3
HMDB56009	DG(16:0/0:0/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
HMDB56008	DG(15:0/0:0/22:6n3)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-
HMDB56007	DG(15:0/0:0/22:5n3)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-
HMDB56006	DG(15:0/0:0/20:5n3)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C38H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,25,27,36,39H,3-4,6,8-10,12,14-16,19,22-24,26,28-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,27-25-
HMDB56005	DG(15:0/0:0/20:4n3)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,36,39H,3-4,6,8-10,12,14-16,19,22-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-
HMDB56004	DG(15:0/0:0/18:4n3)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,34,37H,3-4,6,8-10,12,14-16,19-20,22,24-33H2,1-2H3/b7-5-,13-11-,18-17-,23-21-
HMDB56003	DG(15:0/0:0/18:3n3)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C36H64O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,34,37H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-
HMDB56002	DG(15:0/0:0/22:5n6)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,29,31,38,41H,3-10,12,14-16,19,22,24,26-28,30,32-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-,31-29-
HMDB56001	DG(15:0/0:0/22:4n6)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,38,41H,3-10,12,14-16,19,22,24,26-37H2,1-2H3/b13-11-,18-17-,21-20-,25-23-
HMDB56000	DG(15:0/0:0/22:2n6)	CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,38,41H,3-10,12,14-16,19-37H2,1-2H3/b13-11-,18-17-
HMDB09843	PI(18:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,39,42-47,50-54H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09842	PI(18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,39,42-47,50-54H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09841	PI(18:1(9Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,39,42-47,50-54H,3-16,20,22-38H2,1-2H3,(H,55,56)/b19-17-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09840	PI(18:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,37,40-45,48-52H,3-5,7,9-11,13,15-16,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09847	PI(18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40-45,48-52H,3-10,12,14-16,18,20-36H2,1-2H3,(H,53,54)/b13-11-,19-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09846	PI(18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
HMDB09845	PI(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,39,42-47,50-54H,3-4,6,8-10,12,14-16,20,23,25-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,21-18-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09844	PI(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42-47,50-54H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
HMDB09849	PI(18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40-45,48-52H,3-10,12,14-16,21-36H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB09848	PI(18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,37,40-45,48-52H,3-10,12,15,18,20-36H2,1-2H3,(H,53,54)/b13-11-,16-14-,19-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
HMDB50069	TG(18:1(9Z)/20:3n6/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-34,36-37,58H,4-15,18,21-24,30-31,35,38-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-
HMDB50068	TG(18:1(9Z)/20:3n6/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31,33,36,57H,4-13,15,18,20-22,24,29-30,32,34-35,37-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,31-27-,36-33-
HMDB50061	TG(18:1(9Z)/20:3n6/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-28,30-32,35,56H,4-15,17-18,20-24,29,33-34,36-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,35-32-
HMDB50060	TG(18:1(9Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,22,25,27,30,56H,4-12,14-15,17-21,23-24,26,28-29,31-55H2,1-3H3/b16-13-,25-22-,30-27-
HMDB39989	2-Methyl-3-vinylpyrazine	CC1=C(C=C)N=CC=N1	InChI=1S/C7H8N2/c1-3-7-6(2)8-4-5-9-7/h3-5H,1H2,2H3
HMDB39988	2,3-Dimethyl-5-(1-propenyl)pyrazine	C\C=C\C1=CN=C(C)C(C)=N1	InChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4-6H,1-3H3/b5-4+
HMDB39985	2,3-Dimethyl-5-(2-propenyl)pyrazine	CC1=C(C)N=C(CC=C)C=N1	InChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4,6H,1,5H2,2-3H3
HMDB39984	3,5-Dimethyl-2-(2-propenyl)pyrazine	CC1=CN=C(CC=C)C(C)=N1	InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4,6H,1,5H2,2-3H3
HMDB39987	3,5-Dimethyl-2-(1-propenyl)pyrazine	C\C=C\C1=NC=C(C)N=C1C	InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4-6H,1-3H3/b5-4+
HMDB39986	2,5-Dimethyl-3-(1-propenyl)pyrazine	C\C=C\C1=NC(C)=CN=C1C	InChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4-6H,1-3H3/b5-4+
HMDB39981	2,6-Diethyl-3,5-dimethylpyrazine	CCC1=NC(CC)=C(C)N=C1C	InChI=1S/C10H16N2/c1-5-9-7(3)11-8(4)10(6-2)12-9/h5-6H2,1-4H3
HMDB39980	2,3-Diethyl-5,6-dimethylpyrazine	CCC1=C(CC)N=C(C)C(C)=N1	InChI=1S/C10H16N2/c1-5-9-10(6-2)12-8(4)7(3)11-9/h5-6H2,1-4H3
HMDB39983	2,5-Dimethyl-3-(2-propenyl)pyrazine	CC1=CN=C(C)C(CC=C)=N1	InChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4,6H,1,5H2,2-3H3
HMDB39982	Trimethyl-2-propenylpyrazine	CC1=NC(C)=C(CC=C)N=C1C	InChI=1S/C10H14N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5H,1,6H2,2-4H3
HMDB37138	Maltodextrin	<smiles/>	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1
HMDB37139	4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone	CC(=O)CCC1=C(C)C=CCC1(C)C	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3
HMDB37136	Sucrose acetate isobutyrate	CC(C)C(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C	InChI=1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1
HMDB37137	Butyl butyryllactate	CCCCOC(=O)C(C)OC(=O)CCC	InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3
HMDB37134	(1-Methylethenyl)pyrazine	CC(=C)C1=CN=CC=N1	InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3
HMDB37135	1-Benzyloxy-1-(2-methoxyethoxy)ethane	COCCOC(C)OCC1=CC=CC=C1	InChI=1S/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
HMDB37132	(2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolate	OCC1OC(S\C(CC(O)C2=CC=C(O)C=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O	InChI=1S/C15H21NO11S2/c17-6-10-12(20)13(21)14(22)15(26-10)28-11(16-27-29(23,24)25)5-9(19)7-1-3-8(18)4-2-7/h1-4,9-10,12-15,17-22H,5-6H2,(H,23,24,25)/b16-11+
HMDB37133	Linaloyl oxide	CC1(C)CCCC(C)(O1)C=C	InChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3
HMDB37130	Piperonyl isobutyrate	CC(C)C(=O)OCC1=CC2=C(OCO2)C=C1	InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
HMDB37131	()-Furilazole	CC1(C)OC(CN1C(=O)C(Cl)Cl)C1=CC=CO1	InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3
HMDB29579	Diisopropyl sulfide	CC(C)SC(C)C	InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
HMDB29578	Diisopropyl disulfide	CC(C)SSC(C)C	InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3
HMDB44944	TG(18:0/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,27,30,54H,4-18,20-21,23-26,28-29,31-53H2,1-3H3/b22-19-,30-27-
HMDB44947	TG(18:0/18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,27-28,31-32,34,40,43,56H,4-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b28-25-,31-27-,34-32-,43-40-
HMDB44941	TG(18:0/18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h27,35,60H,4-26,28-34,36-59H2,1-3H3/b35-27-
HMDB44940	TG(18:0/18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h27,33,58H,4-26,28-32,34-57H2,1-3H3/b33-27-
HMDB44943	TG(18:0/18:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,52H,4-20,22-23,25,27,29-51H2,1-3H3/b24-21-,28-26-
HMDB44942	TG(18:0/18:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,50H,4-14,16-17,19-24,26,28-49H2,1-3H3/b18-15-,27-25-
HMDB44949	TG(18:0/18:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h25,27-28,35,60H,4-24,26,29-34,36-59H2,1-3H3/b28-25-,35-27-
HMDB44948	TG(18:0/18:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h25,27-28,33,58H,4-24,26,29-32,34-57H2,1-3H3/b28-25-,33-27-
HMDB14023	para-Trifluoromethylphenol	OC1=CC=C(C=C1)C(F)(F)F	InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
HMDB45099	TG(18:0/18:2(9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,22,28,31,56H,4-18,20-21,23-27,29-30,32-55H2,1-3H3/b22-19-,31-28-
HMDB14021	N-Desmethylcitalopram	CNCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1	InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3
HMDB14027	7-Hydroxygliclazide	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CC(O)CC2C1	InChI=1S/C15H21N3O4S/c1-10-2-4-14(5-3-10)23(21,22)17-15(20)16-18-8-11-6-13(19)7-12(11)9-18/h2-5,11-13,19H,6-9H2,1H3,(H2,16,17,20)
HMDB14026	p-Chlorobenzene sulfonyl urea	NC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1	InChI=1S/C7H7ClN2O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,(H3,9,10,11)
HMDB14025	3-Hydroxychlorpropamide	CCCNC(=O)NS(=O)(=O)C1=CC(O)=C(Cl)C=C1	InChI=1S/C10H13ClN2O4S/c1-2-5-12-10(15)13-18(16,17)7-3-4-8(11)9(14)6-7/h3-4,6,14H,2,5H2,1H3,(H2,12,13,15)
HMDB14024	2-Hydroxychlorpropamide	CCCNC(=O)NS(=O)(=O)C1=C(O)C=C(Cl)C=C1	InChI=1S/C10H13ClN2O4S/c1-2-5-12-10(15)13-18(16,17)9-4-3-7(11)6-8(9)14/h3-4,6,14H,2,5H2,1H3,(H2,12,13,15)
HMDB45090	TG(18:0/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,34,59H,4-15,17-18,21-22,24,26-27,30-33,35-58H2,1-3H3/b19-16-,23-20-,28-25-,34-29-
HMDB42037	thymine glycol	CC1(O)C(O)N=C(O)N=C1O	InChI=1S/C5H8N2O4/c1-5(11)2(8)6-4(10)7-3(5)9/h2,8,11H,1H3,(H2,6,7,9,10)
HMDB14029	Methylhydroxygliclazide	OCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1	InChI=1S/C15H21N3O4S/c19-10-11-4-6-14(7-5-11)23(21,22)17-15(20)16-18-8-12-2-1-3-13(12)9-18/h4-7,12-13,19H,1-3,8-10H2,(H2,16,17,20)
HMDB14028	6-Hydroxygliclazide	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCC(O)C2C1	InChI=1S/C15H21N3O4S/c1-10-2-5-12(6-3-10)23(21,22)17-15(20)16-18-8-11-4-7-14(19)13(11)9-18/h2-3,5-6,11,13-14,19H,4,7-9H2,1H3,(H2,16,17,20)
HMDB45094	TG(18:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,19-20,22,26,28-29,31,35,38,55H,4-7,9-10,12-16,18,21,23-25,27,30,32-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,22-19-,29-26-,31-28-,38-35-
HMDB45095	TG(18:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,35,57H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34,36-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,35-33-
HMDB45096	TG(18:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,35,41,44,57H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,35-33-,44-41-
HMDB42036	thymidine glycol	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C(=O)N=C(O)C(C)(O)C1([H])O	InChI=1S/C10H16N2O7/c1-10(18)7(15)11-9(17)12(8(10)16)6-2-4(14)5(3-13)19-6/h4-6,8,13-14,16,18H,2-3H2,1H3,(H,11,15,17)/t4-,5+,6+,8?,10?/m0/s1
HMDB48059	TG(14:1(9Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,60H,4-14,16,19,21-23,28-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-
HMDB48057	TG(14:1(9Z)/24:1(15Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,34,36,58H,4-14,16,19,21-23,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,36-34-
HMDB29577	4',6,7-Trihydroxyisoflavone; 4'-O-b-D-Glucopyranoside	OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=C(O)C=C3C2=O)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-7-16-18(26)19(27)20(28)21(31-16)30-10-3-1-9(2-4-10)12-8-29-15-6-14(24)13(23)5-11(15)17(12)25/h1-6,8,16,18-24,26-28H,7H2
HMDB48056	TG(14:1(9Z)/24:1(15Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23-26,57H,4-13,16,19-22,27-56H2,1-3H3/b17-14-,18-15-,25-23-,26-24-
HMDB29576	2,3-Dihydroxy-2-methylbutanoic acid	CC(O)C(C)(O)C(O)=O	InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)
HMDB42039	tiapride	CCN(CC)CCN=C(O)C1=C(OC)C=CC(=C1)S(C)(=O)=O	InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
HMDB42038	tianeptine	CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O	InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
HMDB48053	TG(14:1(9Z)/24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,62H,4-14,16-17,19-23,28-61H2,1-3H3/b18-15-,26-24-,27-25-
HMDB48052	TG(14:1(9Z)/24:1(15Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,60H,4-14,16-17,19-23,28-59H2,1-3H3/b18-15-,26-24-,27-25-
HMDB48051	TG(14:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,34,36,42,45,58H,4-14,16-17,19-23,28-33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,26-24-,27-25-,36-34-,45-42-
HMDB48050	TG(14:1(9Z)/24:1(15Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,58H,4-14,16-17,19-23,28-57H2,1-3H3/b18-15-,26-24-,27-25-
HMDB36261	Gladiatoside A1	COC1=C(C=CC=C1)C(=O)OC1C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3=O)=C2)C(O)C1O	InChI=1S/C47H56O26/c1-16-28(51)32(55)36(59)44(65-16)64-15-26-30(53)34(57)42(73-46-37(60)33(56)29(52)25(14-48)69-46)47(70-26)72-41-31(54)27-22(50)12-20(13-24(27)68-40(41)18-8-10-19(49)11-9-18)67-45-38(61)35(58)39(17(2)66-45)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-30,32-39,42,44-53,55-61H,14-15H2,1-3H3
HMDB36260	Gladiatoside A2	COC1=C(C=CC=C1)C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3=O)=C2)C1O	InChI=1S/C47H56O26/c1-16-28(51)33(56)36(59)44(65-16)64-15-26-31(54)35(58)42(73-45-37(60)34(57)30(53)25(14-48)69-45)47(70-26)72-41-32(55)27-22(50)12-20(13-24(27)68-39(41)18-8-10-19(49)11-9-18)67-46-38(61)40(29(52)17(2)66-46)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-31,33-38,40,42,44-54,56-61H,14-15H2,1-3H3
HMDB36263	Annoglabasin C	COC(=O)C1(CC23CC1CCC2C1(C)CCCC(C)(C1CC3)C(O)=O)OC(C)=O	InChI=1S/C23H34O6/c1-14(24)29-23(19(27)28-4)13-22-11-8-16-20(2,17(22)7-6-15(23)12-22)9-5-10-21(16,3)18(25)26/h15-17H,5-13H2,1-4H3,(H,25,26)
HMDB36262	Annoglabasin E	CC1(CO)CCCC2(C)C3CCC4CC3(CC4C(O)=O)CCC12	InChI=1S/C20H32O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h13-16,21H,3-12H2,1-2H3,(H,22,23)
HMDB36265	Momordicasaponin I	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(C)C(O)C(O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C76H120O40/c1-26-38(82)44(88)49(93)64(103-26)111-56-51(95)58(61(98)99)113-69(60(56)115-65-50(94)45(89)42(86)33(21-77)106-65)108-37-13-14-72(6)35(73(37,7)25-79)12-15-75(9)36(72)11-10-29-30-20-71(4,5)16-18-76(30,19-17-74(29,75)8)70(100)116-68-59(46(90)39(83)27(2)104-68)114-66-53(97)57(54(28(3)105-66)109-62-47(91)40(84)31(80)23-101-62)112-67-52(96)55(43(87)34(22-78)107-67)110-63-48(92)41(85)32(81)24-102-63/h10,25-28,30-60,62-69,77-78,80-97H,11-24H2,1-9H3,(H,98,99)
HMDB36264	Quercetin 7-glucuronide 3-rhamnoside	CC1OC(OC2=C(OC3=C(C(O)=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H28O17/c1-7-15(31)17(33)20(36)26(40-7)43-23-16(32)14-12(30)5-9(41-27-21(37)18(34)19(35)24(44-27)25(38)39)6-13(14)42-22(23)8-2-3-10(28)11(29)4-8/h2-7,15,17-21,24,26-31,33-37H,1H3,(H,38,39)
HMDB36267	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;3)-[b-D-galactopyranosyl-(1-&gt;2)]-b-D-glucuronopyranoside], 28-O-[b-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnopyranosyl-(1-&gt;2)-4-O-[5-[[5-(a-L-arabin	CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O	InChI=1S/C94H152O47/c1-14-35(3)45(128-54(103)26-41(100)25-46(36(4)15-2)129-82-65(114)60(109)49(32-97)130-82)24-40(99)27-55(104)134-72-38(6)127-86(77(69(72)118)139-85-71(120)75(137-83-67(116)62(111)58(107)47(30-95)131-83)73(39(7)126-85)135-80-64(113)57(106)44(101)33-124-80)141-88(123)94-23-22-89(8,9)28-43(94)42-16-17-51-90(10)20-19-53(91(11,34-98)50(90)18-21-92(51,12)93(42,13)29-52(94)102)133-87-78(140-84-68(117)63(112)59(108)48(31-96)132-84)74(70(119)76(138-87)79(121)122)136-81-66(115)61(110)56(105)37(5)125-81/h16,34-41,43-53,56-78,80-87,95-97,99-102,105-120H,14-15,17-33H2,1-13H3,(H,121,122)
HMDB36266	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-apiofuranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-[b-D-glucopyranosyl-(1-&gt;3)]-a-L-rhamnopyranosyl-(1-&gt;	CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(O)C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C1OC1OC(C)C(OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O	InChI=1S/C98H158O51/c1-13-37(3)47(135-56(109)25-42(105)24-48(38(4)14-2)136-84-66(119)62(115)51(31-101)137-84)23-41(104)26-57(110)141-74-58(111)39(5)133-88(78(74)148-87-71(124)76(145-85-67(120)63(116)60(113)49(29-99)138-85)72(40(6)134-87)142-83-70(123)73(46(107)33-131-83)143-90-80(125)97(129,35-103)36-132-90)149-91(128)98-22-21-92(7,8)27-44(98)43-15-16-53-93(9)19-18-55(94(10,34-102)52(93)17-20-95(53,11)96(43,12)28-54(98)108)140-89-79(147-86-68(121)64(117)61(114)50(30-100)139-86)75(69(122)77(146-89)81(126)127)144-82-65(118)59(112)45(106)32-130-82/h15,34,37-42,44-55,58-80,82-90,99-101,103-108,111-125,129H,13-14,16-33,35-36H2,1-12H3,(H,126,127)
HMDB36269	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;3)-[b-D-galactopyranosyl-(1-&gt;2)]-b-D-glucuronopyranoside], 28-O-[b-D-apiofuranosyl-(1-&gt;3)-b-D-xylopyranosyl-(1-&gt;4)-[b-D-glucopyranosyl-(1-&gt;3)]-a-L-rhamnopyranosyl-(1	CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O	InChI=1S/C99H160O51/c1-14-37(3)47(136-56(109)26-43(106)25-48(38(4)15-2)137-85-65(118)61(114)51(32-102)138-85)24-42(105)27-57(110)142-73-40(6)135-89(79(69(73)122)148-88-72(125)77(146-86-67(120)63(116)59(112)49(30-100)139-86)74(41(7)134-88)143-83-71(124)75(46(107)33-131-83)144-91-81(126)98(130,35-104)36-132-91)150-92(129)99-23-22-93(8,9)28-45(99)44-16-17-53-94(10)20-19-55(95(11,34-103)52(94)18-21-96(53,12)97(44,13)29-54(99)108)141-90-80(149-87-68(121)64(117)60(113)50(31-101)140-87)76(70(123)78(147-90)82(127)128)145-84-66(119)62(115)58(111)39(5)133-84/h16,34,37-43,45-55,58-81,83-91,100-102,104-108,111-126,130H,14-15,17-33,35-36H2,1-13H3,(H,127,128)
HMDB36268	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnopyranosyl-(1-&gt;2)-4-O-[5-[[5-(a-L-arabin	CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O	InChI=1S/C93H150O47/c1-13-35(3)45(127-54(103)25-40(99)24-46(36(4)14-2)128-81-65(114)60(109)49(31-96)129-81)23-39(98)26-55(104)133-71-37(5)126-85(76(68(71)117)138-84-70(119)74(136-82-66(115)61(110)58(107)47(29-94)130-82)72(38(6)125-84)134-79-63(112)56(105)43(100)32-123-79)140-87(122)93-22-21-88(7,8)27-42(93)41-15-16-51-89(9)19-18-53(90(10,34-97)50(89)17-20-91(51,11)92(41,12)28-52(93)102)132-86-77(139-83-67(116)62(111)59(108)48(30-95)131-83)73(69(118)75(137-86)78(120)121)135-80-64(113)57(106)44(101)33-124-80/h15,34-40,42-53,56-77,79-86,94-96,98-102,105-119H,13-14,16-33H2,1-12H3,(H,120,121)
HMDB58267	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB42479	TG(14:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,39-36-,48-45-
HMDB42478	TG(14:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,30,32,36,39,58H,4-6,8-9,11-15,17-18,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,32-30-,39-36-
HMDB42473	TG(14:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,36,39,45,48,58H,4-15,17-18,20-23,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,39-36-,48-45-
HMDB42472	TG(14:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30,32,36,39,58H,4-15,17-18,20-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,26-24-,27-25-,32-30-,39-36-
HMDB42471	TG(14:0/22:1(13Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,58H,4-15,17-18,20-23,28-57H2,1-3H3/b19-16-,26-24-,27-25-
HMDB42470	TG(14:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,40,43,56H,4-16,18-19,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,43-40-
HMDB42477	TG(14:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,40,43,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,43-40-
HMDB42476	TG(14:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-
HMDB42475	TG(14:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,35,38,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-,38-35-
HMDB42474	TG(14:0/22:1(13Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-
HMDB13552	PGP(18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,39-40,43H,3-10,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB13553	PGP(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,39-40,43H,3-10,15-16,21-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1
HMDB13550	PGP(18:2(9Z,12Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39-40,43H,3-10,12,15,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,16-14-,19-17-/t39-,40+/m0/s1
HMDB13551	PGP(18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,39-40,43H,3-10,12,14-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,19-17-,20-18-/t39-,40+/m0/s1
HMDB13556	PGP(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,41-42,45H,3-10,15-16,20,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-/t41-,42+/m0/s1
HMDB13557	PGP(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,41-42,45H,3-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB13554	PGP(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,39-40,43H,3-5,7,9-10,15-16,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB13555	PGP(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O	InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24,28,30,41-42,45H,3-11,13,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB46543	TG(22:0/20:1(11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,61H,4-14,16-17,19-23,25,28,30-60H2,1-3H3/b18-15-,27-24-,29-26-
HMDB46542	TG(22:0/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,40,43,60H,4-17,19-20,22-25,28,30-33,35-39,41-42,44-59H2,1-3H3/b21-18-,29-26-,34-27-,43-40-
HMDB13558	PGP(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,43-44,47H,3-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1
HMDB13559	PGP(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,32,34,43-44,47H,3-10,15-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
HMDB46547	TG(22:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,41,44,64H,4-15,17-18,20-24,26,29,31-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,44-41-
HMDB46546	TG(22:0/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,64H,4-15,17-18,20-24,26,29,31-63H2,1-3H3/b19-16-,28-25-,30-27-
HMDB46545	TG(22:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,39,45,48,62H,4-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-,48-45-
HMDB46544	TG(22:0/20:1(11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,36,39,62H,4-16,18-19,21-25,28,31-35,37-38,40-61H2,1-3H3/b20-17-,29-26-,30-27-,39-36-
HMDB44314	TG(16:0/20:2n6/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,55H,4-13,15-16,18-22,24,28-54H2,1-3H3/b17-14-,26-23-,27-25-
HMDB44315	TG(16:0/20:2n6/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,31,33,39,42,55H,4-13,15-16,18-22,24,28-30,32,34-38,40-41,43-54H2,1-3H3/b17-14-,26-23-,27-25-,33-31-,42-39-
HMDB44316	TG(16:0/20:2n6/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,57H,4-13,15-16,18-22,24,28-56H2,1-3H3/b17-14-,26-23-,27-25-
HMDB44317	TG(16:0/20:2n6/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h14,17,23,25-27,59H,4-13,15-16,18-22,24,28-58H2,1-3H3/b17-14-,26-23-,27-25-
HMDB07760	DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-/t47-/m0/s1
HMDB07761	DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,47,50H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-46H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-/t47-/m0/s1
HMDB00767	Pseudouridine	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O	InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
HMDB44312	TG(16:0/20:2n6/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,20,22-23,25,53H,4-12,14-15,17-19,21,24,26-52H2,1-3H3/b16-13-,23-20-,25-22-
HMDB44313	TG(16:0/20:2n6/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,22,25-26,28,53H,4-12,14-15,17-21,23-24,27,29-52H2,1-3H3/b16-13-,25-22-,28-26-
HMDB43708	TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,34,37,53H,4-6,9,12-15,18,21-24,28,31,33,35-36,38-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-
HMDB43709	TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,55H,4-6,9,12-15,18,21-24,29-30,35-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-
HMDB43702	TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,55H,4-7,9-10,12-15,18,21-24,29-30,35-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-
HMDB07768	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,25,27,31,33,41,44H,3-4,6,8-10,12,15,18,20,23-24,26,28-30,32,34-40H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t41-/m0/s1
HMDB43700	TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,32,34,37,53H,4-6,8-9,11-15,18,21-24,28,31,33,35-36,38-52H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,32-30-,37-34-
HMDB43701	TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,33,54H,4-6,8-9,11-13,15,18,20-22,24,28-30,32,34-53H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,33-31-
HMDB43706	TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30,32,34-36,38,44,47,57H,4-7,9-10,12-15,18,21-24,29,31,33,37,39-43,45-46,48-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-34-,38-35-,47-44-
HMDB43707	TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,53H,4-6,9,12-15,18,21-24,28,31,33-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-
HMDB43704	TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,34,36,57H,4-7,9-10,12-15,18,21-24,29-33,35,37-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,36-34-
HMDB07769	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,31,33,41,44H,3-4,6,8-10,12,14-16,20,24,26,28-30,32,34-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m0/s1
HMDB39206	2-O-Galloylpunicalin	OC(C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C=O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C3OC(=O)C4=C(C(O)=C(O)C5=C4C3=C2C(=O)O5)C2=C(O)C(O)=C(O)C=C2C(=O)OCC1O.OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C4C(=O)OC5=C(O)C(O)=C(C6=C5C4=C(OC6=O)C(O)=C3O)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/2C41H26O26/c42-9-1-6(2-10(43)22(9)46)36(56)67-35-31(55)32-13(63-41(35)61)5-62-37(57)7-3-11(44)23(47)25(49)14(7)16-20-18-19-21(40(60)66-33(18)29(53)27(16)51)17(28(52)30(54)34(19)65-39(20)59)15-8(38(58)64-32)4-12(45)24(48)26(15)50;42-5-15(64-37(58)7-1-10(43)24(48)11(44)2-7)27(51)34-14(47)6-63-38(59)8-3-12(45)25(49)28(52)16(8)18-22-20-21-23(41(62)67-35(20)32(56)30(18)54)19(31(55)33(57)36(21)66-40(22)61)17-9(39(60)65-34)4-13(46)26(50)29(17)53/h1-4,13,31-32,35,41-55,61H,5H2;1-5,14-15,27,34,43-57H,6H2
HMDB39207	Acutissimin A	OC1CC2=C(O)C=C(O)C(C3C4OC(=O)C5=C3C(O)=C(O)C(O)=C5C3=C5C(=C(O)C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OC3COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)OC3C4OC5=O)=C2OC1C1=CC=C(O)C(O)=C1	InChI=1S/C56H38O31/c57-15-2-1-10(3-17(15)59)47-22(64)4-11-16(58)8-18(60)27(48(11)84-47)32-31-34-30(43(73)46(76)44(31)74)29-33-28(41(71)45(75)42(29)72)26-14(7-21(63)37(67)40(26)70)53(78)83-23-9-82-52(77)12-5-19(61)35(65)38(68)24(12)25-13(6-20(62)36(66)39(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,22-23,32,47,49-51,57-76H,4,9H2
HMDB39204	Punicacortein D	OC1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(C=C(O)C(O)=C1O)C(=O)OC2C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(C=C(O)C(O)=C2O)C(=O)OCC1O	InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2
HMDB39205	Punicalin	OC(C=O)C(O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C3OC(=O)C4=C(C(O)=C(O)C5=C4C3=C2C(=O)O5)C2=C(O)C(O)=C(O)C=C2C(=O)OCC1O.OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C4C(=O)OC5=C(O)C(O)=C(C6=C5C4=C(OC6=O)C(O)=C3O)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1O	InChI=1S/2C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45;35-3-9(38)21(42)28-10(39)4-53-31(49)5-1-7(36)19(40)22(43)11(5)13-17-15-16-18(34(52)56-29(15)26(47)24(13)45)14(25(46)27(48)30(16)55-33(17)51)12-6(32(50)54-28)2-8(37)20(41)23(12)44/h1-2,8,25-27,34-46,51H,3H2;1-3,9-10,21,28,36-48H,4H2
HMDB39202	Punigluconin	OC1COC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O	InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)56-28(29(30(48)49)57-32(51)9-3-14(37)22(43)15(38)4-9)27-18(41)7-54-33(52)10-5-16(39)23(44)25(46)19(10)20-11(34(53)55-27)6-17(40)24(45)26(20)47/h1-6,18,27-29,35-47H,7H2,(H,48,49)
HMDB39203	Camelliatannin A	OC1CC2=C(O)C=C(O)C(C3C4OC(=O)C5=C3C(O)=C(O)C(O)=C5C3=C(C=C(O)C(O)=C3O)C(=O)OC4C3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OCC3O)=C2OC1C1=CC(O)=C(O)C=C1	InChI=1S/C49H36O27/c50-15-2-1-10(3-17(15)52)41-22(57)4-11-16(51)8-18(53)27(42(11)73-41)30-29-31-28(38(65)40(67)39(29)66)26-14(7-21(56)34(61)37(26)64)48(70)76-45(44(30)75-49(31)71)43-23(58)9-72-46(68)12-5-19(54)32(59)35(62)24(12)25-13(47(69)74-43)6-20(55)33(60)36(25)63/h1-3,5-8,22-23,30,41,43-45,50-67H,4,9H2
HMDB39200	Punicacortein A	OCC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C3O	InChI=1S/C27H22O18/c28-4-10(43-25(40)5-1-7(29)15(32)8(30)2-5)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(31)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2
HMDB39201	Punicacortein B	OC(COC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C3O	InChI=1S/C27H22O18/c28-7-1-5(2-8(29)15(7)32)25(40)43-4-10(31)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(30)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2
HMDB47632	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,38,41,47,50,62H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,41-38-,50-47-
HMDB47633	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,41-38-,50-47-
HMDB47630	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,35,37,43,46,58H,4-7,9-10,12-14,16,19,21-24,26,28-34,36,38-42,44-45,47-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,37-35-,46-43-
HMDB47631	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,36,39,45,48,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,39-36-,48-45-
HMDB47636	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,42,45,51,54,66H,4-8,10-11,13-17,19-20,22-25,28,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,45-42-,54-51-
HMDB47637	TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,44,47,53,56,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-43,45-46,48-52,54-55,57-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,47-44-,56-53-
HMDB39208	8-C-Ascorbylepigallocatechin 3-gallate	OCC(O)C1OC(=O)C2(O)C3=C4OC(C(CC4=C(O)C=C3OC12O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C28H24O17/c29-7-16(35)24-28(41)27(40,26(39)44-24)19-17(45-28)6-11(30)10-5-18(42-25(38)9-3-14(33)21(37)15(34)4-9)22(43-23(10)19)8-1-12(31)20(36)13(32)2-8/h1-4,6,16,18,22,24,29-37,40-41H,5,7H2
HMDB39209	2',4'-Dihydroxy-2-biphenylcarboxylic acid	OC(=O)C1=C(C=CC=C1)C1=CC=C(O)C=C1O	InChI=1S/C13H10O4/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7,14-15H,(H,16,17)
HMDB00609	DL-Dopa	NC(CC1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
HMDB29141	Valyl-Gamma-glutamate	CC(C)C(NC(=O)C(N)CCC(O)=N)C(O)=O	InChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-9(15)6(11)3-4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
HMDB34249	Caryoptosidic acid	CC1(O)C(O)CC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O	InChI=1S/C16H24O11/c1-16(24)8(18)2-5-6(13(22)23)4-25-14(9(5)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4-5,7-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)
HMDB34248	Pyropheophytin b	CCCCCC(C)CCCC(C)CC(C)C\C(C)=C/COC(=O)CCC1C(C)C2=N\C\1=C1\CC(=O)C3=C1NC(\C=C1/N=C(/C=C4\N/C(=C\2)C(C)=C4C=C)C(C=O)=C1CC)=C3C	InChI=1S/C53H70N4O4/c1-11-14-15-17-31(4)18-16-19-32(5)24-34(7)25-33(6)22-23-61-50(60)21-20-40-36(9)44-27-43-35(8)38(12-2)46(54-43)29-48-42(30-58)39(13-3)47(55-48)28-45-37(10)51-49(59)26-41(52(40)56-44)53(51)57-45/h12,22,27-32,34,36,40,54,57H,2,11,13-21,23-26H2,1,3-10H3/b33-22-,43-27-,44-27-,45-28-,46-29-,47-28-,48-29-,52-41-
HMDB58986	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-35,37-38,41,43-46,53-54,57-58,79-81,86H,5-20,23-24,27-32,36,39-40,42,47-52,55-56,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,45-43-,46-44-,57-53-,58-54-/t79?,80-,81-/m1/s1
HMDB58987	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(103-86(91)73-69-65-61-57-53-49-43-39-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-39,43-47,54-55,58-59,80-82,87H,5-20,23-24,28-30,32,35-36,40-42,48-53,56-57,60-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-39-,46-44-,47-45-,58-54-,59-55-/t80?,81-,82-/m1/s1
HMDB58980	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-44-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40-41,45-46,48,51,55-56,60,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47,49-50,52-54,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,48-46-,55-51-,60-56-/t77?,78-,79-/m1/s1
HMDB58981	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43-44,46,48-50,52,55,58-60,62,64,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,45,47,51,53-54,56-57,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,50-46-,52-49-,59-55-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB58982	CL(20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-38,41-42,44-46,50-52,54,56-57,61-62,64,66,68,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,47-49,53,55,58-60,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,54-51-,56-52-,61-57-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58983	CL(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-45-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-47-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,43-46,53-54,57-58,79-81,86H,5-20,23-24,27-32,35-36,39-42,47-52,55-56,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,45-43-,46-44-,57-53-,58-54-/t80-,81-/m1/s1
HMDB34241	4-Methoxybenzyl alcohol	COC1=CC=C(CO)C=C1	InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
HMDB34240	Styrene	C=CC1=CC=CC=C1	InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
HMDB34243	Ipomeanine	CC(=O)CCC(=O)C1=COC=C1	InChI=1S/C9H10O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-6H,2-3H2,1H3
HMDB34242	1,4,5-Naphthalenetriol, 9CI; 4-O-b-D-Glucopyranoside	OCC1OC(OC2=C3C(O)=CC=CC3=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-5-4-8(18)7-2-1-3-9(19)12(7)10/h1-5,11,13-22H,6H2
HMDB34245	2-Furanmethanol	OCC1=CC=CO1	InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
HMDB34244	Isoquinoline	C1=CC2=C(C=C1)C=NC=C2	InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
HMDB34247	2-(Methoxymethyl)furan	COCC1=CC=CO1	InChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3
HMDB34246	2-Furanmethanol, 9CI; Ac	CC(=O)OCC1=CC=CO1	InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
HMDB38559	8-Hexanoylneosolaniol	CCCCCC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C	InChI=1S/C25H36O9/c1-6-7-8-9-19(28)33-17-11-24(12-30-15(3)26)18(10-14(17)2)34-22-20(29)21(32-16(4)27)23(24,5)25(22)13-31-25/h10,17-18,20-22,29H,6-9,11-13H2,1-5H3
HMDB38558	8-Pentanoylneosolaniol	CCCCC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C	InChI=1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3
HMDB38551	Methyl 3,4,5-trimethoxycinnamate	COC(=O)\C=C\C1=CC(OC)=C(OC)C(OC)=C1	InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+
HMDB38550	Cassiaside C	COC1=CC2=C(C(O)=C3C(=O)OC(C)=CC3=C2)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C27H32O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h3-6,14-15,18-19,21-24,26-35H,7-8H2,1-2H3
HMDB38553	N-gamma-Glutamyl-S-(1-propenyl)cysteine	C\C=C\SCC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+
HMDB38552	6-Deoxy-gamma-mangostin	CC(C)=CCC1=C(O)C2=C(OC3=C(C2=O)C(CC=C(C)C)=C(O)C=C3)C=C1O	InChI=1S/C23H24O5/c1-12(2)5-7-14-16(24)9-10-18-20(14)23(27)21-19(28-18)11-17(25)15(22(21)26)8-6-13(3)4/h5-6,9-11,24-26H,7-8H2,1-4H3
HMDB38555	(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid	CCCCCC(O)C(O)\C=C\C(O)CCCCCCCC(O)=O	InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+
HMDB38554	Gravacridonediolacetate	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(C)(O)COC(C)=O)C=C2O	InChI=1S/C21H21NO6/c1-11(23)27-10-21(2,26)17-8-13-16(28-17)9-15(24)18-19(13)22(3)14-7-5-4-6-12(14)20(18)25/h4-7,9,17,24,26H,8,10H2,1-3H3
HMDB38557	xi-3,6-Dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran	CC(C)=CC1CC(C)=CCO1	InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3
HMDB38556	xI-Dihydro-2-methyl-3(2H)-thiophenone	CC1SCCC1=O	InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
HMDB15138	Cromoglicic acid	OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O	InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
HMDB15139	Ganciclovir	NC1=NC(=O)C2=C(N1)N(COC(CO)CO)C=N2	InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
HMDB15132	Doxorubicin	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
HMDB15133	Frovatriptan	CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O	InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
HMDB15130	Auranofin	CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1
HMDB15136	Salbutamol	CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1	InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
HMDB15137	Levobupivacaine	CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C	InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1
HMDB15135	Cyclacillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O	InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1
HMDB05368	TG(16:0/18:0/20:1(11Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/b27-25-/t54-/m1/s1
HMDB05369	TG(16:0/18:0/18:2(9Z,12Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,52H,4-15,17-18,20-24,26,28-51H2,1-3H3/b19-16-,27-25-/t52-/m1/s1
HMDB05366	TG(16:0/18:0/20:0)[iso6]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1
HMDB05367	TG(16:0/18:0/18:1(9Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25-
HMDB48914	TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30,32-33,36-37,40,46,49,58H,4-7,9-10,12-15,18,22-23,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-
HMDB05365	TG(16:0/18:0/18:0)[iso3]	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3
HMDB05362	TG(16:0/16:0/18:2(9Z,12Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16-,26-25-/t50-/m1/s1
HMDB05363	TG(16:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,25-26,28,31,36,39,52H,4-15,17-18,20-24,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,26-25-,31-28-,39-36-/t52-/m1/s1
HMDB05360	TG(16:0/16:0/18:1(9Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-/t50-/m1/s1
HMDB05361	TG(16:0/16:0/20:1(11Z))[iso3]	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h25-26,52H,4-24,27-51H2,1-3H3/b26-25-/t52-/m1/s1
HMDB58360	CL(18:1(9Z)/18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37,39-42,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,36,38,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,42-35-,52-48-/t79?,80-,81-/m1/s1
HMDB58361	CL(18:1(9Z)/18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-35,37,39-42,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,36,38,43-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,42-35-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58362	CL(18:1(9Z)/18:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C82H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34,37-38,41,76-78,83H,5-24,26-28,30-33,35-36,39-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,38-34-,41-37-/t76?,77-,78-/m1/s1
HMDB58363	CL(18:1(9Z)/18:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,28-29,32,34,37-38,41,76-78,83H,5-24,26-27,30-31,33,35-36,39-40,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,32-28-,38-34-,41-37-/t76?,77-,78-/m1/s1
HMDB58364	CL(18:1(9Z)/18:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25,29,34,36-38,40-41,76-78,83H,5-24,26-28,30-33,35,39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,38-34-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB58365	CL(18:1(9Z)/18:0/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h25-26,29-30,35,37-39,41-42,77-79,84H,5-24,27-28,31-34,36,40,43-76H2,1-4H3,(H,89,90)(H,91,92)/b29-25-,30-26-,39-35-,41-37-,42-38-/t77?,78-,79-/m1/s1
HMDB58366	CL(18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-34,37,39,42,44,52,56,77-79,84H,5-20,22-24,26-32,35-36,38,40-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58367	CL(18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,28,32-34,37,39,42,44,52,56,77-79,84H,5-20,22-24,26-27,29-31,35-36,38,40-41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,37-33-,39-34-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58368	CL(18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,39,41-42,44,52,56,77-79,84H,5-20,22-24,26-32,35,38,40,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,41-36-,44-42-,56-52-/t77?,78-,79-/m1/s1
HMDB58369	CL(18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-35,37-38,41,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,36,39-40,42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,37-33-,38-34-,41-35-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB31268	Amyl propyl ketone	CCCCCC(=O)CCC	InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3
HMDB32084	29-Norcycloartane-3,24-dione	CC(CCC(=O)C(C)C)C1CCC2(C)C3CCC4C(C)C(=O)CCC44CC34CCC12C	InChI=1S/C29H46O2/c1-18(2)23(30)9-7-19(3)21-11-13-27(6)25-10-8-22-20(4)24(31)12-14-28(22)17-29(25,28)16-15-26(21,27)5/h18-22,25H,7-17H2,1-6H3
HMDB39055	p-Menth-8-ene-2,10-diol; (1S,2R,4R)-form, 2-O-b-D-Glucopyranoside	CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(=C)CO	InChI=1S/C16H28O7/c1-8-3-4-10(9(2)6-17)5-11(8)22-16-15(21)14(20)13(19)12(7-18)23-16/h8,10-21H,2-7H2,1H3
HMDB58236	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,37-38,41-44,51-52,55-56,63,67,83-85,90H,5-8,11-12,15-20,23-24,29-30,35-36,39-40,45-50,53-54,57-62,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-/t83?,84-,85-/m1/s1
HMDB29809	Phytosulfokine a	CCC(C)C(NC(=O)C(N)CC1=CC=C(OS(O)(=O)=O)C=C1)C(=O)NC(CC1=CC=C(OS(O)(=O)=O)C=C1)C(=O)NC(C(C)O)C(=O)NC(CCC(N)=O)C(O)=O	InChI=1S/C33H46N6O16S2/c1-4-17(2)27(38-29(42)23(34)15-19-5-9-21(10-6-19)54-56(48,49)50)31(44)37-25(16-20-7-11-22(12-8-20)55-57(51,52)53)30(43)39-28(18(3)40)32(45)36-24(33(46)47)13-14-26(35)41/h5-12,17-18,23-25,27-28,40H,4,13-16,34H2,1-3H3,(H2,35,41)(H,36,45)(H,37,44)(H,38,42)(H,39,43)(H,46,47)(H,48,49,50)(H,51,52,53)
HMDB29808	Castavinol	COC1=CC(=CC=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O	InChI=1S/C26H30O13/c1-10(28)25(2)19-18-14(31)7-12(29)8-16(18)38-26(39-25,11-4-5-13(30)15(6-11)35-3)23(19)37-24-22(34)21(33)20(32)17(9-27)36-24/h4-8,17,19-24,27,29-34H,9H2,1-3H3
HMDB39054	Tuberoside	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4(O)CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C34H56O8/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-15-27(36)34(40)16-21(11-14-33(34,6)25(22)12-13-32(23,24)5)41-31-30(39)29(38)28(37)26(17-35)42-31/h7-8,15,18-21,23-31,35-40H,9-14,16-17H2,1-6H3/b8-7+
HMDB29801	8-Dotriacontenoic acid	CCCCCCCCCCCCCCCCCCCCCCC\C=C\CCCCCCC(O)=O	InChI=1S/C32H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h24-25H,2-23,26-31H2,1H3,(H,33,34)/b25-24+
HMDB29800	Mangiferic acid	CC\C=C\CCCC\C=C\CCCCCCCC(O)=O	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,9-10H,2,5-8,11-17H2,1H3,(H,19,20)/b4-3+,10-9+
HMDB29803	Pentasine	NC(CCCC[N+]1=C(\C=C\C(CCC(N)C(O)=O)CCC(N)C(O)=O)C(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1)C(O)=O	InChI=1S/C30H48N6O10/c31-20(26(37)38)3-1-2-14-36-16-18(6-11-23(34)29(43)44)15-19(8-12-24(35)30(45)46)25(36)13-7-17(4-9-21(32)27(39)40)5-10-22(33)28(41)42/h7,13,15-17,20-24H,1-6,8-12,14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1/b13-7+
HMDB29802	1-Cyclohexyl-11-heneicosanone	CCCCCCCCCCC(=O)CCCCCCCCCCC1CCCCC1	InChI=1S/C27H52O/c1-2-3-4-5-6-10-13-19-24-27(28)25-20-14-11-8-7-9-12-16-21-26-22-17-15-18-23-26/h26H,2-25H2,1H3
HMDB29805	Eugeniflorin D2	OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C4OC5=C(O)C(O)=C(O)C=C5C(=O)OC5C(O)OC6COC(=O)C7=CC8=C(OC9(O)C(O8)C(=CC(=O)C9(O)O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C3=C4)C(O)=C7C1=CC(=C(O)C(O)=C1O)C(=O)OC6C5OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C68H48O45/c69-22-1-13(2-23(70)38(22)78)57(88)109-52-50-30-11-101-59(90)16-6-26(73)40(80)43(83)34(16)35-18(61(92)107-50)8-28(42(82)44(35)84)103-48-20(7-27(74)41(81)47(48)87)63(94)111-54-53(110-58(89)14-3-24(71)39(79)25(72)4-14)51-31(106-65(54)96)12-102-60(91)17-9-29-49(45(85)33(17)15-5-19(62(93)108-51)37(77)46(86)36(15)76)113-68(100)56(104-29)21(10-32(75)67(68,98)99)64(95)112-55(52)66(97)105-30/h1-10,30-31,50-56,65-66,69-74,76-87,96-100H,11-12H2
HMDB29804	Momordol	CCC(CO)C(O)CC(O)C(C)CCC(C)CCCC1(C)C(CC)C(=O)C=CC1(C)O	InChI=1S/C26H48O5/c1-7-20(17-27)24(30)16-23(29)19(4)12-11-18(3)10-9-14-25(5)21(8-2)22(28)13-15-26(25,6)31/h13,15,18-21,23-24,27,29-31H,7-12,14,16-17H2,1-6H3
HMDB29807	[Nitrilotris(methylene)]trisphosphonic acid	OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O	InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
HMDB29806	3-Pyridinecarboxylic acid; Me ester	COC(=O)C1=CN=CC=C1	InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
HMDB11936	Ganglioside GQ1c (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C107H183N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h18,20,57-71,73-99,113-120,126-132,134-143H,8-17,19,21-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b20-18-/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1
HMDB11937	Ganglioside GQ1c (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C107H183N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h22-23,57-71,73-99,113-120,126-132,134-143H,8-21,24-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b23-22-/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1
HMDB11934	Ganglioside GQ1c (d18:0/16:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C105H181N5O55/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-57(124)56(110-70(131)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)49-150-95-82(139)81(138)86(68(47-117)153-95)156-97-84(141)93(87(69(48-118)154-97)157-94-55(36-50(3)119)85(77(134)64(43-113)151-94)155-96-83(140)92(78(135)65(44-114)152-96)164-104(100(146)147)39-60(127)72(107-52(5)121)89(161-104)76(133)63(130)42-112)165-105(101(148)149)40-61(128)74(109-54(7)123)91(163-105)80(137)67(46-116)159-103(99(144)145)38-59(126)73(108-53(6)122)90(162-103)79(136)66(45-115)158-102(98(142)143)37-58(125)71(106-51(4)120)88(160-102)75(132)62(129)41-111/h55-69,71-97,111-118,124-130,132-141H,8-49H2,1-7H3,(H,106,120)(H,107,121)(H,108,122)(H,109,123)(H,110,131)(H,142,143)(H,144,145)(H,146,147)(H,148,149)/t55-,56+,57-,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87+,88?,89?,90?,91?,92+,93-,94+,95-,96+,97+,102-,103-,104+,105+/m1/s1
HMDB11935	Ganglioside GQ1c (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C107H185N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-72(133)112-58(59(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-152-97-84(141)83(140)88(70(49-119)155-97)158-99-86(143)95(89(71(50-120)156-99)159-96-57(38-52(3)121)87(79(136)66(45-115)153-96)157-98-85(142)94(80(137)67(46-116)154-98)166-106(102(148)149)41-62(129)74(109-54(5)123)91(163-106)78(135)65(132)44-114)167-107(103(150)151)42-63(130)76(111-56(7)125)93(165-107)82(139)69(48-118)161-105(101(146)147)40-61(128)75(110-55(6)124)92(164-105)81(138)68(47-117)160-104(100(144)145)39-60(127)73(108-53(4)122)90(162-104)77(134)64(131)43-113/h57-71,73-99,113-120,126-132,134-143H,8-51H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/t57-,58+,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,73-,74-,75-,76-,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93?,94+,95-,96+,97-,98+,99+,104-,105-,106+,107+/m1/s1
HMDB11932	Ganglioside GQ1c (d18:0/12:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC	InChI=1S/C101H173N5O55/c1-8-10-12-14-16-18-19-20-21-23-24-26-28-30-53(120)52(106-66(127)31-29-27-25-22-17-15-13-11-9-2)45-146-91-78(135)77(134)82(64(43-113)149-91)152-93-80(137)89(83(65(44-114)150-93)153-90-51(32-46(3)115)81(73(130)60(39-109)147-90)151-92-79(136)88(74(131)61(40-110)148-92)160-100(96(142)143)35-56(123)68(103-48(5)117)85(157-100)72(129)59(126)38-108)161-101(97(144)145)36-57(124)70(105-50(7)119)87(159-101)76(133)63(42-112)155-99(95(140)141)34-55(122)69(104-49(6)118)86(158-99)75(132)62(41-111)154-98(94(138)139)33-54(121)67(102-47(4)116)84(156-98)71(128)58(125)37-107/h51-65,67-93,107-114,120-126,128-137H,8-45H2,1-7H3,(H,102,116)(H,103,117)(H,104,118)(H,105,119)(H,106,127)(H,138,139)(H,140,141)(H,142,143)(H,144,145)/t51-,52+,53-,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81-,82-,83+,84?,85?,86?,87?,88+,89-,90+,91-,92+,93+,98-,99-,100+,101+/m1/s1
HMDB11933	Ganglioside GQ1c (d18:0/14:0)	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC	InChI=1S/C103H177N5O55/c1-8-10-12-14-16-18-20-21-23-24-26-28-30-32-55(122)54(108-68(129)33-31-29-27-25-22-19-17-15-13-11-9-2)47-148-93-80(137)79(136)84(66(45-115)151-93)154-95-82(139)91(85(67(46-116)152-95)155-92-53(34-48(3)117)83(75(132)62(41-111)149-92)153-94-81(138)90(76(133)63(42-112)150-94)162-102(98(144)145)37-58(125)70(105-50(5)119)87(159-102)74(131)61(128)40-110)163-103(99(146)147)38-59(126)72(107-52(7)121)89(161-103)78(135)65(44-114)157-101(97(142)143)36-57(124)71(106-51(6)120)88(160-101)77(134)64(43-113)156-100(96(140)141)35-56(123)69(104-49(4)118)86(158-100)73(130)60(127)39-109/h53-67,69-95,109-116,122-128,130-139H,8-47H2,1-7H3,(H,104,118)(H,105,119)(H,106,120)(H,107,121)(H,108,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)/t53-,54+,55-,56+,57+,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75+,76+,77-,78-,79-,80-,81-,82-,83-,84-,85+,86?,87?,88?,89?,90+,91-,92+,93-,94+,95+,100-,101-,102+,103+/m1/s1
HMDB11930	Ganglioside GM3 (d18:1/22:1(13Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H114N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h18-19,34,36,44-49,51-61,66-68,70-72,74-78H,4-17,20-33,35,37-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/b19-18-,36-34+/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58?,59-,60+,61-,63-/m0/s1
HMDB11931	Ganglioside GM3 (d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C64H118N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-38-51(74)66-45(46(71)37-35-33-31-29-27-25-17-15-13-11-9-7-5-2)43-82-61-56(78)55(77)58(50(42-69)84-61)85-62-57(79)60(54(76)49(41-68)83-62)87-64(63(80)81)39-47(72)52(65-44(3)70)59(86-64)53(75)48(73)40-67/h35,37,45-50,52-62,67-69,71-73,75-79H,4-34,36,38-43H2,1-3H3,(H,65,70)(H,66,74)(H,80,81)/b37-35+/t45-,46+,47-,48+,49+,50+,52+,53+,54-,55+,56+,57+,58+,59?,60-,61+,62-,64-/m0/s1
HMDB32082	Rosmic acid	COC(=O)C(=C/C1=C(C(O)=O)C23CCCC(C)(C)C2C(OC3=O)C1=O)\C(C)C	InChI=1S/C21H26O7/c1-10(2)11(18(25)27-5)9-12-13(17(23)24)21-8-6-7-20(3,4)16(21)15(14(12)22)28-19(21)26/h9-10,15-16H,6-8H2,1-5H3,(H,23,24)/b11-9-
HMDB32267	Ethyl 5-hexenoate	CCOC(=O)CCCC=C	InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h3H,1,4-7H2,2H3
HMDB11938	Ganglioside GQ1c (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C109H189N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-74(135)114-60(61(128)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)53-154-99-86(143)85(142)90(72(51-121)157-99)160-101-88(145)97(91(73(52-122)158-101)161-98-59(40-54(3)123)89(81(138)68(47-117)155-98)159-100-87(144)96(82(139)69(48-118)156-100)168-108(104(150)151)43-64(131)76(111-56(5)125)93(165-108)80(137)67(134)46-116)169-109(105(152)153)44-65(132)78(113-58(7)127)95(167-109)84(141)71(50-120)163-107(103(148)149)42-63(130)77(112-57(6)126)94(166-107)83(140)70(49-119)162-106(102(146)147)41-62(129)75(110-55(4)124)92(164-106)79(136)66(133)45-115/h59-73,75-101,115-122,128-134,136-145H,8-53H2,1-7H3,(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,135)(H,146,147)(H,148,149)(H,150,151)(H,152,153)/t59-,60+,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80-,81+,82+,83-,84-,85-,86-,87-,88-,89-,90-,91+,92?,93?,94?,95?,96+,97-,98+,99-,100+,101+,106-,107-,108+,109+/m1/s1
HMDB11939	Ganglioside GQ1c (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C111H193N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-76(137)116-62(63(130)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)55-156-101-88(145)87(144)92(74(53-123)159-101)162-103-90(147)99(93(75(54-124)160-103)163-100-61(42-56(3)125)91(83(140)70(49-119)157-100)161-102-89(146)98(84(141)71(50-120)158-102)170-110(106(152)153)45-66(133)78(113-58(5)127)95(167-110)82(139)69(136)48-118)171-111(107(154)155)46-67(134)80(115-60(7)129)97(169-111)86(143)73(52-122)165-109(105(150)151)44-65(132)79(114-59(6)128)96(168-109)85(142)72(51-121)164-108(104(148)149)43-64(131)77(112-57(4)126)94(166-108)81(138)68(135)47-117/h61-75,77-103,117-124,130-136,138-147H,8-55H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/t61-,62+,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94?,95?,96?,97?,98+,99-,100+,101-,102+,103+,108-,109-,110+,111+/m1/s1
HMDB32266	Ethyl cis-3-hexenoate	CCOC(=O)C\C=C/CC	InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5-
HMDB10049	PIP2(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,24,26,30,32,39,42-47,50-52H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-,26-24-,32-30-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10048	PIP2(16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,24,26,39,42-47,50-52H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-,26-24-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10045	PIP2(16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C47H89O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,39,42-47,50-52H,3-10,12,14-16,19-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10044	PIP2(16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h5,7,11,13,17-18,20,22,37,40-45,48-50H,3-4,6,8-10,12,14-16,19,21,23-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,18-17-,22-20-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10047	PIP2(16:0/22:4(10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h5,7,11,13,17-18,20-21,39,42-47,50-52H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10046	PIP2(16:0/22:3(10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17-18,20-21,39,42-47,50-52H,3-10,12,14-16,19,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,21-20-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
HMDB10041	PIP2(16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-18,20,22,26,28,37,40-45,48-50H,3-16,19,21,23-25,27,29-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-,22-20-,28-26-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10040	PIP2(16:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,37,40-45,48-50H,3-10,12,14-16,19-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10043	PIP2(16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,20,22,26,28,37,40-45,48-50H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-,22-20-,28-26-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB10042	PIP2(16:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13,17-18,20,22,37,40-45,48-50H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,18-17-,22-20-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
HMDB32089	Muricapentocin	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCC(O)CCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-19-31(39)33-22-23-34(43-33)32(40)21-20-29(37)17-13-15-28(36)16-14-18-30(38)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3
HMDB52484	TG(18:2(9Z,12Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,33,35,37,41,44,50,53,63H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31-32,34,36,38-40,42-43,45-49,51-52,54-62H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-33-,37-30-,44-41-,53-50-
HMDB31265	1-Nonanol	CCCCCCCCCO	InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
HMDB39059	Heraclenol; (R)-form, 2'-O-(3-Methylbutanoyl)	CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC2=C1OC=C2)C(C)(C)O	InChI=1S/C21H24O7/c1-12(2)9-17(23)27-15(21(3,4)24)11-26-20-18-14(7-8-25-18)10-13-5-6-16(22)28-19(13)20/h5-8,10,12,15,24H,9,11H2,1-4H3
HMDB39058	Heraclenol; (R)-form, 2'-O-(3-Methyl-2-butenoyl)	CC(C)=CC(=O)OC(COC1=C2OC(=O)C=CC2=CC2=C1OC=C2)C(C)(C)O	InChI=1S/C21H22O7/c1-12(2)9-17(23)27-15(21(3,4)24)11-26-20-18-14(7-8-25-18)10-13-5-6-16(22)28-19(13)20/h5-10,15,24H,11H2,1-4H3
HMDB52200	TG(24:1(15Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,38,40,63H,4-7,9-10,12-14,16,19,21-23,30-37,39,41-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,40-38-
HMDB32269	(+/-)-Ethyl 2-hydroxy-2-methylbutyrate	CCOC(=O)C(C)(O)CC	InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3
HMDB01367	N-Acetyl-glucosamine 1-phosphate	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O	InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
HMDB43561	TG(15:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,37,40,46,49,59H,4-15,18,21-24,29-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-37-,49-46-
HMDB04978	Glucosylceramide (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45+,46?,47?,48+/m0/s1
HMDB04979	Glucosylceramide (d18:1/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C49H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-45(53)50-42(41-57-49-48(56)47(55)46(54)44(40-51)58-49)43(52)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,42-44,46-49,51-52,54-56H,3-35,37,39-41H2,1-2H3,(H,50,53)/b38-36+/t42-,43+,44+,46+,47-,48+,49+/m0/s1
HMDB04970	Glucosylceramide (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1
HMDB04971	Glucosylceramide (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C40H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27+/t33-,34+,35+,37+,38-,39+,40+/m0/s1
HMDB04972	Glucosylceramide (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C42H81NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,35-37,39-42,44-45,47-49H,3-28,30,32-34H2,1-2H3,(H,43,46)/b31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1
HMDB04973	Glucosylceramide (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31+/t37-,38+,39+,41+,42-,43+,44+/m0/s1
HMDB04974	Glucosylceramide (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,39-41,43-46,48-49,51-53H,3-32,34,36-38H2,1-2H3,(H,47,50)/b35-33+/t39-,40+,41+,43+,44-,45+,46+/m0/s1
HMDB04975	Glucosylceramide (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17-,37-35+/t41-,42+,43+,45+,46-,47+,48+/m0/s1
HMDB04976	Glucosylceramide (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C50H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,37,39,43-45,47-50,52-53,55-57H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)/b18-17-,39-37+/t43-,44+,45+,47+,48-,49+,50+/m0/s1
HMDB04977	Glucosylceramide (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C50H97NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,43-45,47-50,52-53,55-57H,3-36,38,40-42H2,1-2H3,(H,51,54)/b39-37+/t43-,44+,45+,47+,48-,49+,50+/m0/s1
HMDB45954	TG(20:0/20:3n6/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,38,41,62H,4-17,19-20,22-24,26,29,31-37,39-40,42-61H2,1-3H3/b21-18-,28-25-,30-27-,41-38-
HMDB51024	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,33,38,41,54H,4-7,9-10,12-16,18-19,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,33-30-,41-38-
HMDB51025	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-27,29-30,33-34,37-38,41,54H,4-7,9-10,12-16,18-19,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-
HMDB51026	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31-32,34-35,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB51027	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,31-32,34-35,39-40,42-43,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB51020	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,39-40,42-43,56H,4-15,17-18,20,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
HMDB51021	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,33,36,41,44,58H,4-15,17-18,20,22-23,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,36-33-,44-41-
HMDB51022	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32-33,36-37,39,41,44,58H,4-15,17-18,20,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB51023	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,17-18,20,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB51028	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-
HMDB51029	TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-
HMDB55914	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,36,39,45,48,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-35,37-38,40-44,46-47,49-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,39-36-,48-45-
HMDB55915	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,41-42,44-45,50-51,53-54,64H,4-6,9,12-15,18,21-24,31-32,35,38-40,43,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,44-41-,45-42-,53-50-,54-51-
HMDB55916	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,38,41,47,50,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-37,39-40,42-46,48-49,51-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,41-38-,50-47-
HMDB55917	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,33-34,36-37,40-45,49-54,64H,4-6,9,12-15,18,21-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51-
HMDB55910	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-37-40-43-46-49-52-58(60)63-56-57(64-59(61)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)55-62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30-31,35,37,43,46,57H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,32-34,36,38-42,44-45,47-56H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,31-30-,37-35-,46-43-
HMDB55911	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,18,22-23,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-
HMDB49046	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,40,46,49,58H,4-6,9,12-15,18,22-23,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-
HMDB55913	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,18,21-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-
HMDB55918	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,36,38-39,41,45,47-48,50,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35,37,40,42-44,46,49,51-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-,50-47-
HMDB55919	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52-53,55-56,66H,4-6,9,12-15,18,21-24,31-33,36,39-42,45,48-51,54,57-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-,56-53-
HMDB43841	TG(16:0/14:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h24-25,54H,4-23,26-53H2,1-3H3/b25-24-
HMDB43840	TG(16:0/14:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h24-25,52H,4-23,26-51H2,1-3H3/b25-24-
HMDB43843	TG(16:0/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,30,32,48H,4-15,17-18,20-23,26-29,31,33-47H2,1-3H3/b19-16-,25-24-,32-30-
HMDB49045	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-27,29-31,35,37-38,40,44,47,56H,4-6,9,12-15,18,22-23,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-
HMDB43845	TG(16:0/14:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,50H,4-15,17-18,20-23,26,28,30-49H2,1-3H3/b19-16-,25-24-,29-27-
HMDB43844	TG(16:0/14:0/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h13,16,22,24,49H,4-12,14-15,17-21,23,25-48H2,1-3H3/b16-13-,24-22-
HMDB43847	TG(16:0/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,52H,4-15,17-18,20-23,26-51H2,1-3H3/b19-16-,25-24-
HMDB43846	TG(16:0/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h16,19,24-25,27,29,34,37,50H,4-15,17-18,20-23,26,28,30-33,35-36,38-49H2,1-3H3/b19-16-,25-24-,29-27-,37-34-
HMDB43849	TG(16:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,39,42,52H,4-15,17-18,20-23,26,29-30,32-33,35-38,40-41,43-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31-,42-39-
HMDB43848	TG(16:0/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,52H,4-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31-
HMDB07276	DG(18:3(6Z,9Z,12Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,37,40H,3-10,12,14-16,21-22,24,26-36H2,1-2H3/b13-11-,19-17-,20-18-,25-23-/t37-/m0/s1
HMDB07277	DG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,37,40H,3-10,15-16,21-22,24,26-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-/t37-/m0/s1
HMDB07274	DG(18:3(6Z,9Z,12Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,37,40H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3/b13-11-,19-17-,25-23-/t37-/m0/s1
HMDB07275	DG(18:3(6Z,9Z,12Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,37,40H,3-10,12,15,18,20-22,24,26-36H2,1-2H3/b13-11-,16-14-,19-17-,25-23-/t37-/m0/s1
HMDB07272	DG(18:3(6Z,9Z,12Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,35,38H,3-10,12,14-16,19-20,22,24-34H2,1-2H3/b13-11-,18-17-,23-21-/t35-/m0/s1
HMDB07273	DG(18:3(6Z,9Z,12Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,21,23,35,38H,3-10,12,15,19-20,22,24-34H2,1-2H3/b13-11-,16-14-,18-17-,23-21-/t35-/m0/s1
HMDB12359	PS(16:0/18:3(9Z,12Z,15Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37H,3-4,6,8-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,18-17-/t36-,37+/m1/s1
HMDB12358	PS(16:0/18:2(9Z,12Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37H,3-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,18-17-/t36-,37+/m1/s1
HMDB12357	PS(16:0/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b18-17-/t36-,37+/m1/s1
HMDB12356	PS(16:0/18:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C40H78NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h36-37H,3-35,41H2,1-2H3,(H,44,45)(H,46,47)/t36-,37+/m1/s1
HMDB12355	PS(16:0/16:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O	InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,34-35H,3-13,15,17-33,39H2,1-2H3,(H,42,43)(H,44,45)/b16-14-/t34-,35+/m1/s1
HMDB12353	PS(16:0/14:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O	InChI=1S/C36H68NO10P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(38)44-29-32(30-45-48(42,43)46-31-33(37)36(40)41)47-35(39)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12,32-33H,3-9,11,13-31,37H2,1-2H3,(H,40,41)(H,42,43)/b12-10-/t32-,33+/m1/s1
HMDB12352	PS(16:0/14:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O	InChI=1S/C36H70NO10P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(38)44-29-32(30-45-48(42,43)46-31-33(37)36(40)41)47-35(39)28-26-24-22-20-17-14-12-10-8-6-4-2/h32-33H,3-31,37H2,1-2H3,(H,40,41)(H,42,43)/t32-,33+/m1/s1
HMDB12351	PS(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C42H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,28,30,38-39H,3-4,6,8-9,14-15,18,21,23,25-27,29,31-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t38-,39+/m1/s1
HMDB12350	PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O	InChI=1S/C40H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,24,26,36-37H,3-9,14-15,18,21-23,25,27-35,41H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,13-11-,17-16-,20-19-,26-24-/t36-,37+/m1/s1
HMDB56241	DG(20:3n9/0:0/20:4n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,29-32,41,44H,3-10,12,14-16,21-22,27-28,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB56240	DG(20:3n9/0:0/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,30,32,41,44H,3-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-
HMDB56243	DG(20:3n9/0:0/22:4n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33,43,46H,3-10,12,14-16,21,23,26,29,32,34-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-
HMDB56242	DG(20:3n9/0:0/22:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,25,27,31,33,43,46H,3-10,12,14-16,21-24,26,28-30,32,34-42H2,1-2H3/b13-11-,19-17-,20-18-,27-25-,33-31-
HMDB56245	DG(20:3n9/0:0/18:3n3)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,39,42H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-
HMDB56244	DG(20:3n9/0:0/22:5n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-10,12,14-16,21,23,26,29,32,35,37-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-
HMDB56247	DG(20:3n9/0:0/20:4n3)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,30,32,41,44H,3-4,6,8-10,12,14-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,32-30-
HMDB56246	DG(20:3n9/0:0/18:4n3)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24-25,27-28,30,39,42H,3-5,7,9-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-
HMDB56249	DG(20:3n9/0:0/22:5n3)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24-25,27-28,30-31,33,43,46H,3-4,6,8-10,12,14-16,21,23,26,29,32,34-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-
HMDB56248	DG(20:3n9/0:0/20:5n3)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,29-32,41,44H,3-4,6,8-10,12,14-16,21-22,27-28,33-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
HMDB43344	TG(15:0/22:1(13Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20,23,25-26,53H,4-19,21-22,24,27-52H2,1-3H3/b23-20-,26-25-
HMDB43345	TG(15:0/22:1(13Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h20,23,25,27,55H,4-19,21-22,24,26,28-54H2,1-3H3/b23-20-,27-25-
HMDB50377	TG(20:1(11Z)/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,43,46,60H,4-24,27,30-33,35-36,38-42,44-45,47-59H2,1-3H3/b28-25-,29-26-,37-34-,46-43-
HMDB50376	TG(20:1(11Z)/20:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-
HMDB50375	TG(20:1(11Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,28,57H,4-24,26-27,29-56H2,1-3H3/b28-25-
HMDB50374	TG(20:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,41-38-,50-47-
HMDB50373	TG(20:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20-24,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,41-38-
HMDB50372	TG(20:1(11Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,41,44,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-,44-41-
HMDB50371	TG(20:1(11Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,58H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-33-
HMDB50370	TG(20:1(11Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28,30,36,39,56H,4-7,9-10,12-16,18-19,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,39-36-
HMDB43348	TG(15:0/22:1(13Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,33,35,41,44,57H,4-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b27-25-,28-26-,35-33-,44-41-
HMDB50379	TG(20:1(11Z)/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,64H,4-24,27,30-63H2,1-3H3/b28-25-,29-26-
HMDB50378	TG(20:1(11Z)/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,62H,4-24,27,30-61H2,1-3H3/b28-25-,29-26-
HMDB02982	Prostaglandin B1	CCCCC[C@H](O)\C=C\C1=C(CCCCCCC(O)=O)C(=O)CC1	InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1
HMDB43349	TG(15:0/22:1(13Z)/22:1(13Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,59H,4-24,29-58H2,1-3H3/b27-25-,28-26-
HMDB02985	Inositol phosphate	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O	InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m1/s1
HMDB02984	11-Hydroxyandrosterone	[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,17+,18-,19-/m0/s1
HMDB53545	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,36,39-40,43,61H,4-7,9-10,12-14,21-23,30-31,33,35,37-38,41-42,44-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-
HMDB53544	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,38-39,41-42,59H,4-8,10-11,13,15,20,22,24,29-30,34-37,40,43-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,42-39-
HMDB53547	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33-36,41-42,44-45,63H,4-6,8-9,11-14,21-23,30-32,37-40,43,46-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB53546	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,36,39-40,43,45,48,61H,4-7,9-10,12-14,21-23,30-31,33,35,37-38,41-42,44,46-47,49-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-
HMDB53541	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33-36,41-42,44-45,63H,4-14,21-23,30-32,37-40,43,46-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-
HMDB53540	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34,36,42,45,63H,4-14,21-23,30-33,35,37-41,43-44,46-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,45-42-
HMDB53543	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,38,41,59H,4-8,10-11,13,15,20,22,24,29-30,34-37,39-40,42-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-
HMDB53542	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33-36,41-42,44-45,50,53,63H,4-14,21-23,30-32,37-40,43,46-49,51-52,54-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,53-50-
HMDB53549	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,32-33,38,41,60H,4-13,15,18,20-22,24,27,29-31,34-37,39-40,42-59H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,33-32-,41-38-
HMDB53548	TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33-36,41-42,44-45,50,53,63H,4-6,8-9,11-14,21-23,30-32,37-40,43,46-49,51-52,54-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,53-50-
HMDB56799	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-26,30,33,35-36,38-40,45,49,57,61,76-78,83H,5-20,22-24,27-29,31-32,34,37,41-44,46-48,50-56,58-60,62-75H2,1-4H3,(H,88,89)(H,90,91)/b25-21-,30-26-,35-33-,39-38-,40-36-,49-45-,61-57-/t76?,77-,78-/m1/s1
HMDB56798	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-37,40-44,49-50,53-54,61,65,81-83,88H,5-9,11-13,15-20,23-24,27-32,38-39,45-48,51-52,55-60,62-64,66-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,65-61-/t81?,82-,83-/m1/s1
HMDB55266	TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,36,39,55H,4-7,9-10,12-16,19,22-25,28,31-35,37-38,40-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,39-36-
HMDB55267	TG(18:3(9Z,12Z,15Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-13,16-18,20-22,25-27,29-30,55H,4-7,10,14-15,19,23-24,28,31-54H2,1-3H3/b11-8-,12-9-,16-13-,20-17-,21-18-,25-22-,29-26-,30-27-
HMDB55264	TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-33,36,39-40,43,58H,4-6,9,12-15,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-
HMDB55265	TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-28,30-33,36,39-40,43,45,48,58H,4-6,9,12-15,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-
HMDB50089	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-34,36-37,43,46,58H,4-15,18,21-24,30-31,35,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-
HMDB50088	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31,33,36,42,45,57H,4-13,15,18,20-22,24,29-30,32,34-35,37-41,43-44,46-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,31-27-,36-33-,45-42-
HMDB55260	TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,36,39,54H,4-6,9,12-15,22-24,31-35,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-
HMDB55261	TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34,36-37,39,54H,4-6,9,12-15,22-24,31-33,35,38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB50085	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,36,38,41,47,50,62H,4-16,18-19,21-24,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,28-25-,29-26-,36-27-,41-38-,50-47-
HMDB50084	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,36,39,45,48,60H,4-16,18-19,21-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,28-25-,29-26-,34-27-,39-36-,48-45-
HMDB49040	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB50086	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-33,36,42,45,57H,4-15,17-18,21-22,24,26,30,34-35,37-41,43-44,46-56H2,1-3H3/b19-16-,23-20-,28-25-,31-27-,32-29-,36-33-,45-42-
HMDB50081	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-28,30-32,35,41,44,56H,4-15,17-18,20-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,35-32-,44-41-
HMDB50080	TG(18:1(9Z)/20:3n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,35,57H,4-15,17-18,20-24,26,29-30,33-34,36-56H2,1-3H3/b19-16-,28-25-,31-27-,35-32-
HMDB50083	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,32-34,36-37,42-43,45-46,58H,4-16,18-19,21-24,30-31,35,38-41,44,47-57H2,1-3H3/b20-17-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB50082	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,32,34,37,43,46,58H,4-16,18-19,21-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b20-17-,28-25-,29-26-,32-27-,37-34-,46-43-
HMDB54799	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-20,24-29,33-36,40-41,43-44,63H,4-6,8-9,11-14,21-23,30-32,37-39,42,45-62H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB54798	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,36,38-39,42,44,47,61H,4-7,9-10,12-14,21-23,30-31,33,35,37,40-41,43,45-46,48-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-
HMDB54795	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,37,40,59H,4-8,10-11,13,15,20,22,24,29-30,34-36,38-39,41-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-
HMDB54794	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33-36,40-41,43-44,49,52,63H,4-14,21-23,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-
HMDB54797	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,32,34,36,38-39,42,61H,4-7,9-10,12-14,21-23,30-31,33,35,37,40-41,43-60H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-
HMDB54796	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,37,39-40,42,59H,4-8,10-11,13,15,20,22,24,29-30,34-36,38,41,43-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,42-39-
HMDB54791	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,39-40,42-44,47-48,51,62H,4-6,8-9,11-15,22-24,30-31,37-38,41,45-46,49-50,52-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-
HMDB54790	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,39-40,42-44,47,62H,4-6,8-9,11-15,22-24,30-31,37-38,41,45-46,48-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-
HMDB54793	TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,33-36,40-41,43-44,63H,4-14,21-23,30-32,37-39,42,45-62H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB54792	TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,36,39-40,43,59H,4-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-
HMDB00729	Alpha-Hydroxyisobutyric acid	CC(C)(O)C(O)=O	InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
HMDB00728	Hydroxypropionic porphyrin III	CC1=C(CCC(O)=O)C2=N\C\1=C/C1=C(CC(O)=O)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C3\N/C(=C\2)C(CCC(O)=O)=C3CC(O)=O)C(CCC(O)=O)=C1CC(O)=O	InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15-
HMDB00721	Glycylproline	NCC(=O)N1CCCC1C(O)=O	InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)
HMDB00720	Levulinic acid	CC(=O)CCC(O)=O	InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
HMDB00722	Lithocholyltaurine	C[C@H](CCC(=O)NCCS(O)(=O)=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18?,19-,20?,21?,22?,23?,25+,26-/m1/s1
HMDB00725	Hydroxyproline	O[C@H]1CN[C@@H](C1)C(O)=O	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
HMDB00727	L-Threoneopterin	NC1=NC(=O)C2=C(N1)N=CC(=N2)[C@H](O)[C@@H](O)CO	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m0/s1
HMDB00726	Isovalerylglutamic acid	CC(C)CC(=O)N[C@@H](CCC(O)=O)C(O)=O	InChI=1S/C10H17NO5/c1-6(2)5-8(12)11-7(10(15)16)3-4-9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
HMDB57686	CL(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,49,51,53,55,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-48,50,52,54,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-/t82?,83-,84-/m1/s1
HMDB51859	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-8,10-11,13-15,17,20,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-
HMDB57684	CL(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-46-/t79?,80-,81-/m1/s1
HMDB57685	CL(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-34,36-38,41-45,49,51,53,55,63,67,82-84,89H,5-8,10-12,14-20,23-24,29-30,35,39-40,46-48,50,52,54,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB57682	CL(16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-34,36-38,41-45,49,51,53,55,61,65,82-84,89H,5-9,11-13,15-20,23-24,29-30,35,39-40,46-48,50,52,54,56-60,62-64,66-81H2,1-4H3,(H,94,95)(H,96,97)/b14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-/t82?,83-,84-/m1/s1
HMDB57683	CL(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-44-47-51-55-59-63-67-80(85)93-73-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)74-96-100(88,89)94-70-76(83)71-95-101(90,91)97-75-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)99-82(87)69-65-61-57-53-49-45-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35-36,38-40,44,47,76-78,83H,5-8,10-12,14-20,22-24,29,34,37,41-43,45-46,48-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,39-38-,40-36-,47-44-/t76?,77-,78-/m1/s1
HMDB57680	CL(16:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36-38,40-43,46,50,58,62,79-81,86H,5-20,22-24,29,34-35,39,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB40531	2-Hydroxy-4-oxopentanoic acid	CC(=O)CC(O)C(O)=O	InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h4,7H,2H2,1H3,(H,8,9)
HMDB59229	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65-66,68-70,72,87-89,94H,5-9,11-13,15-20,24,28-32,36,40-42,49-52,55,59,61-64,67,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB57688	CL(16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)101-84(89)71-67-63-59-55-51-47-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36-38,40-43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,29,34-35,39,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,41-40-,42-37-,43-38-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57689	CL(16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2)81-103-107(96,97)101-77-82(89)76-100-106(94,95)102-80-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-45-38-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-38,41-45,49,51,53,55,61,63,65,67,82-84,89H,5-8,11-12,15-20,23-24,29-30,35,39-40,46-48,50,52,54,56-60,62,64,66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,43-41-,44-42-,45-38-,53-49-,55-51-,65-61-,67-63-/t82?,83-,84-/m1/s1
HMDB06600	Sialyllacto-N-tetraose b	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-25(55)30(66-34-27(57)26(56)23(53)16(7-43)62-34)20(39-11(2)46)33(64-18)67-32-24(54)17(8-44)63-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1
HMDB06601	B-Trisaccharide	[H][C@](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H](O)C(O)CO)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C=O	InChI=1S/C18H32O15/c1-5-9(23)12(26)14(28)17(30-5)32-8(4-21)16(10(24)6(22)2-19)33-18-15(29)13(27)11(25)7(3-20)31-18/h4-20,22-29H,2-3H2,1H3/t5-,6?,7+,8-,9+,10-,11-,12+,13-,14-,15+,16+,17-,18+/m0/s1
HMDB06602	Lacto-N-hexaose	[H][C@@](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)C(O)C(O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25?,26+,27-,28-,29+,30+,31+,32+,33+,34+,35?,36+,37-,38-,39-,40-/m0/s1
HMDB06603	3-b-Galactopyranosyl glucose	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H](O)C=O)[C@H](O)[C@H](O)CO	InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8+,9+,10-,11-,12+/m1/s1
HMDB06605	Sialyl Lewis&lt;sup&gt;a&lt;/sup&gt; penta	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)C(O[C@]3([H])O[C@H](CO)[C@H](O)C(O[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C43H72N2O33/c1-11-23(58)28(63)29(64)39(69-11)74-33-20(10-51)72-38(76-36-26(61)18(8-49)70-40(30(36)65)73-32(17(57)7-48)24(59)15(55)5-46)22(45-13(3)53)35(33)75-41-31(66)37(27(62)19(9-50)71-41)78-43(42(67)68)4-14(54)21(44-12(2)52)34(77-43)25(60)16(56)6-47/h5,11,14-41,47-51,54-66H,4,6-10H2,1-3H3,(H,44,52)(H,45,53)(H,67,68)/t11-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35?,36-,37?,38-,39-,40-,41-,43-/m0/s1
HMDB06606	3'-Sialyl-3-fucosyllactose	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)C=O	InChI=1S/C29H49NO23/c1-8-16(40)19(43)20(44)26(48-8)50-22(12(38)5-32)23(13(39)6-33)51-27-21(45)25(18(42)14(7-34)49-27)53-29(28(46)47)3-10(36)15(30-9(2)35)24(52-29)17(41)11(37)4-31/h5,8,10-27,31,33-34,36-45H,3-4,6-7H2,1-2H3,(H,30,35)(H,46,47)/t8-,10-,11+,12-,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,29-/m0/s1
HMDB06607	3'-Sialyllactosamine	CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)[C@@H]2O)(OC1[C@H](O)[C@H](O)CO)C(O)=O	InChI=1S/C23H40N2O18/c1-7(30)25-13-9(31)2-23(22(38)39,42-19(13)15(35)10(32)4-27)43-20-16(36)12(6-29)40-21(17(20)37)41-18(11(33)5-28)14(34)8(24)3-26/h3,8-21,27-29,31-37H,2,4-6,24H2,1H3,(H,25,30)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19?,20-,21-,23-/m0/s1
HMDB06608	LS tetrasaccharide d	[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@]([H])(O[C@@H]3O[C@H](CO)[C@H](O)C(O[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O	InChI=1S/C37H62N2O29/c1-10(46)38-19-12(48)3-37(36(59)60,67-30(19)22(53)14(50)5-41)68-32-24(55)17(8-44)62-35(27(32)58)65-29-18(9-45)63-33(20(25(29)56)39-11(2)47)66-31-23(54)16(7-43)61-34(26(31)57)64-28(15(51)6-42)21(52)13(49)4-40/h4,12-35,41-45,48-58H,3,5-9H2,1-2H3,(H,38,46)(H,39,47)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,31-,32?,33-,34-,35-,37-/m0/s1
HMDB59224	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,50-52,54-56,62-63,66-67,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47-49,53,57-61,64-65,68-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,54-50-,55-51-,56-52-,66-62-,67-63-/t85?,86-,87-/m1/s1
HMDB09537	PE(22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,47H,3-11,13,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1
HMDB09536	PE(22:1(13Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C49H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47H,3-11,13,15-16,21-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t47-/m1/s1
HMDB09535	PE(22:1(13Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,47H,3-16,21-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-/t47-/m1/s1
HMDB09534	PE(22:1(13Z)/22:0)	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,47H,3-16,18,20-46,50H2,1-2H3,(H,53,54)/b19-17-/t47-/m1/s1
HMDB09533	PE(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,26,28,32,34,45H,3-5,7,9-11,13,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
HMDB09532	PE(22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,26,28,45H,3-5,7,9-11,13,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,28-26-/t45-/m1/s1
HMDB09531	PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,26,28,32,34,45H,3-11,13,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
HMDB09530	PE(22:1(13Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,26,28,45H,3-11,13,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,28-26-/t45-/m1/s1
HMDB54133	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,34-35,37-38,43-44,46-47,60H,4-15,18,21-24,31-33,36,39-42,45,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB40537	3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(-&gt;4)-2,3-di-O-acetyl-a-L-rhamnopyranoside]	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C34H30O14/c1-16-29(47-26(41)13-6-19-4-9-21(37)10-5-19)32(44-17(2)35)33(45-18(3)36)34(43-16)48-31-28(42)27-24(40)14-23(39)15-25(27)46-30(31)20-7-11-22(38)12-8-20/h4-16,29,32-34,37-40H,1-3H3/b13-6+
HMDB54135	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-
HMDB54134	TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,36,39,45,48,62H,4-15,18,21-24,31-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,39-36-,48-45-
HMDB09539	PE(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,47H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1
HMDB09538	PE(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,36,38,47H,3-11,13,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
HMDB40628	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3''-Bis-O-(3,4,5-trihydroxybenzoyl) 4'',6''-O-(S)-hexahydroxydiphenoyl	CC(=O)C1=C(O)C=C(O)C(C2OC3COC(=O)C4=C(O)C(O)=C(O)C=C4C4=C(C(O)=C(O)C(O)=C4)C(=O)OC3C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	InChI=1S/C42H32O25/c1-10(43)24-15(44)8-16(45)27(32(24)56)36-38(67-40(60)12-4-19(48)29(53)20(49)5-12)37(66-39(59)11-2-17(46)28(52)18(47)3-11)35-23(64-36)9-63-41(61)25-13(6-21(50)30(54)33(25)57)14-7-22(51)31(55)34(58)26(14)42(62)65-35/h2-8,23,35-38,44-58H,9H2,1H3
HMDB40629	Isoacoramone	CCC(=O)C1=C(OC)C=C(OC)C(OC)=C1	InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3
HMDB04112	Adenylylselenate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](O)[C@H]3O)C2=NC=N1	InChI=1S/C10H14N5O10PSe/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1
HMDB04113	Se-Methylselenocysteine	C[Se]C[C@H](N)C(O)=O	InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
HMDB04110	Phosphonoacetate	OC(=O)CP(O)(O)=O	InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
HMDB51850	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-40-,52-49-
HMDB40620	Gaylussacin	OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=CC=C3)=C2C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-14-9-13(23)8-12(16(14)20(27)28)7-6-11-4-2-1-3-5-11/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-6+/t15-,17-,18+,19-,21-/m1/s1
HMDB40621	3'-Glucosyl-2',4',6'-trihydroxyacetophenone	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2O)=C1O	InChI=1S/C14H18O9/c1-4(16)8-5(17)2-6(18)9(11(8)20)14-13(22)12(21)10(19)7(3-15)23-14/h2,7,10,12-15,17-22H,3H2,1H3
HMDB40622	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2''-O-(3,4,5-Trihydroxybenzoyl)	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	InChI=1S/C21H22O13/c1-6(23)13-8(24)4-9(25)14(17(13)30)19-20(18(31)16(29)12(5-22)33-19)34-21(32)7-2-10(26)15(28)11(27)3-7/h2-4,12,16,18-20,22,24-31H,5H2,1H3
HMDB40623	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 6''-O-(3,4,5-Trihydroxybenzoyl)	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	InChI=1S/C21H22O13/c1-6(22)13-8(23)4-9(24)14(17(13)29)20-19(31)18(30)16(28)12(34-20)5-33-21(32)7-2-10(25)15(27)11(26)3-7/h2-4,12,16,18-20,23-31H,5H2,1H3
HMDB40624	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3''-Di-O-(3,4,5-trihydroxybenzoyl)	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	InChI=1S/C28H26O17/c1-8(30)18-11(31)6-12(32)19(23(18)40)24-26(45-28(42)10-4-15(35)21(38)16(36)5-10)25(22(39)17(7-29)43-24)44-27(41)9-2-13(33)20(37)14(34)3-9/h2-6,17,22,24-26,29,31-40H,7H2,1H3
HMDB40625	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',6''-Di-O-(3,4,5-trihydroxybenzoyl)	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	InChI=1S/C28H26O17/c1-8(29)18-11(30)6-12(31)19(23(18)39)25-26(45-28(42)10-4-15(34)21(37)16(35)5-10)24(40)22(38)17(44-25)7-43-27(41)9-2-13(32)20(36)14(33)3-9/h2-6,17,22,24-26,30-40H,7H2,1H3
HMDB40626	2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	InChI=1S/C35H30O21/c1-10(36)23-14(37)8-15(38)24(29(23)49)30-32(56-35(52)13-6-20(43)27(47)21(44)7-13)31(55-34(51)12-4-18(41)26(46)19(42)5-12)28(48)22(54-30)9-53-33(50)11-2-16(39)25(45)17(40)3-11/h2-8,22,28,30-32,37-49H,9H2,1H3
HMDB40627	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3'',4'',6''-Tetrakis-O-(3,4,5-trihydroxybenzoyl)	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	InChI=1S/C42H34O25/c1-12(43)28-17(44)10-18(45)29(34(28)58)36-38(67-42(62)16-8-25(52)33(57)26(53)9-16)37(66-41(61)15-6-23(50)32(56)24(51)7-15)35(65-40(60)14-4-21(48)31(55)22(49)5-14)27(64-36)11-63-39(59)13-2-19(46)30(54)20(47)3-13/h2-10,27,35-38,44-58H,11H2,1H3
HMDB51561	TG(22:1(13Z)/18:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,62H,4-20,22-23,27,30-61H2,1-3H3/b24-21-,28-25-,29-26-
HMDB43658	TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,51H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-50H2,1-3H3/b11-8-,20-17-,28-26-,36-33-
HMDB51563	TG(22:1(13Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,34,59H,4-19,22,26-27,30-33,35-58H2,1-3H3/b23-20-,24-21-,28-25-,34-29-
HMDB51562	TG(22:1(13Z)/18:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,64H,4-20,22-23,27,30-63H2,1-3H3/b24-21-,28-25-,29-26-
HMDB51565	TG(22:1(13Z)/18:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,59H,4-13,15-16,18-20,22,27,29-58H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB51564	TG(22:1(13Z)/18:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,32,38,41,58H,4-16,18-19,22-23,27,29-31,33-37,39-40,42-57H2,1-3H3/b20-17-,24-21-,28-25-,32-26-,41-38-
HMDB51567	TG(22:1(13Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,35,37,43,46,60H,4-16,18-19,22-23,27,30-34,36,38-42,44-45,47-59H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,37-35-,46-43-
HMDB43659	TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,53H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-52H2,1-3H3/b11-8-,20-17-,29-26-,38-35-
HMDB51569	TG(22:1(13Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,32,34,39,42,62H,4-15,17-18,20,22-23,27,30-31,33,35-38,40-41,43-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,34-32-,42-39-
HMDB51568	TG(22:1(13Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,62H,4-15,17-18,20,22-23,27,30-61H2,1-3H3/b19-16-,24-21-,28-25-,29-26-
HMDB51854	TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-29,37,40,46,49,61H,4-7,9-10,12-14,16,19,21-23,30-36,38-39,41-45,47-48,50-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,28-25-,29-26-,40-37-,49-46-
HMDB43650	TG(15:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32,35,51H,4-6,9,12-15,18,21-24,29-31,33-34,36-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,35-32-
HMDB46276	TG(22:0/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,34,56H,4-7,9-10,12-16,18-19,21-24,26,28-31,33,35-55H2,1-3H3/b11-8-,20-17-,27-25-,34-32-
HMDB43651	TG(15:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,53H,4-6,9,12-15,18,21-24,28,32-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,31-30-
HMDB46271	TG(22:0/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,58H,4-15,17-18,20-23,25,27-57H2,1-3H3/b19-16-,26-24-
HMDB43652	TG(15:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,37,40,53H,4-6,9,12-15,18,21-24,28,32-36,38-39,41-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,31-30-,40-37-
HMDB43653	TG(15:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,33,36,55H,4-6,9,12-15,18,21-24,28,32,34-35,37-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-
HMDB43654	TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,33,36,42,45,55H,4-6,9,12-15,18,21-24,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-33-,45-42-
HMDB43655	TG(15:0/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,52H,4-7,9-10,12-16,18-19,21-25,27,29-51H2,1-3H3/b11-8-,20-17-,28-26-
HMDB43656	TG(15:0/18:4(6Z,9Z,12Z,15Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,30,33,48H,4-6,8-9,11-15,17-18,20-24,27-29,31-32,34-47H2,1-3H3/b10-7-,19-16-,26-25-,33-30-
HMDB49048	TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-6,9,12-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-
HMDB43657	TG(15:0/18:4(6Z,9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,31,34,49H,4-6,8-9,11-15,17-18,20-24,27-30,32-33,35-48H2,1-3H3/b10-7-,19-16-,26-25-,34-31-
HMDB33367	Oxonantenine	COC1=CC2=C3C(=NC=C2)C(=O)C2=CC4=C(OCO4)C=C2C3=C1OC	InChI=1S/C19H13NO5/c1-22-14-5-9-3-4-20-17-15(9)16(19(14)23-2)10-6-12-13(25-8-24-12)7-11(10)18(17)21/h3-7H,8H2,1-2H3
HMDB33366	4-Hydroxynornantenine	COC1=CC2=C3C(CC4=CC5=C(OCO5)C=C4C3=C1OC)NCC2O	InChI=1S/C19H19NO5/c1-22-16-6-11-13(21)7-20-12-3-9-4-14-15(25-8-24-14)5-10(9)18(17(11)12)19(16)23-2/h4-6,12-13,20-21H,3,7-8H2,1-2H3
HMDB33365	2-(1-Propenyl)-delta1-piperideine	C\C=C/C1=NCCCC1	InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2,5H,3-4,6-7H2,1H3/b5-2-
HMDB33364	Conhydrinone	CCC(=O)C1CCCCN1	InChI=1S/C8H15NO/c1-2-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
HMDB33363	Norcorydine	COC1=CC=C2CC3NCCC4=C3C(=C(O)C(OC)=C4)C2=C1OC	InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)18(21)17(15)16(10)19(13)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3
HMDB33362	(S)-Nandigerine	COC1=C2C(CC3NCCC4=C3C2=C2OCOC2=C4)=CC=C1O	InChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3
HMDB33361	Norisodomesticine	COC1=C2C3=CC4=C(OCO4)C=C3CC3NCCC(C=C1O)=C23	InChI=1S/C18H17NO4/c1-21-18-13(20)5-9-2-3-19-12-4-10-6-14-15(23-8-22-14)7-11(10)17(18)16(9)12/h5-7,12,19-20H,2-4,8H2,1H3
HMDB33360	Isodomesticine	COC1=C2C3=CC4=C(OCO4)C=C3CC3N(C)CCC(C=C1O)=C23	InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3
HMDB46705	TG(22:0/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-37-40-43-46-49-52-55-61(63)66-59-60(58-65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)67-62(64)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,60H,4-13,15-16,18-22,24-25,27-59H2,1-3H3/b17-14-,26-23-
HMDB46704	TG(22:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,33,35,40,43,49,52,63H,4-6,8-9,11-14,17,20-23,26,29-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,35-33-,43-40-,52-49-
HMDB46707	TG(22:0/20:3n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,42,45,66H,4-17,19-20,22-26,28-29,31-41,43-44,46-65H2,1-3H3/b21-18-,30-27-,45-42-
HMDB46706	TG(22:0/20:3n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,64H,4-17,19-20,22-26,28-29,31-39,41-42,44-63H2,1-3H3/b21-18-,30-27-,43-40-
HMDB46701	TG(22:0/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,36,38,61H,4-7,9-10,12-14,16,19,21-23,25,28,30-35,37,39-60H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,38-36-
HMDB46700	TG(22:0/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,33,39,42,59H,4-8,10-11,13,15-16,19-20,22,24-25,28-32,34-38,40-41,43-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,33-27-,42-39-
HMDB33369	Hydroxypropyl methyl cellulose	COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C25H44O21/c1-39-22-16(36)12(32)19(7(3-27)41-22)45-24-18(38)14(34)21(9(5-29)43-24)46-25-17(37)13(33)20(8(4-28)42-25)44-23-15(35)11(31)10(30)6(2-26)40-23/h6-38H,2-5H2,1H3
HMDB33368	DEAE-cellulose	OCC1O[C@@H](O[C@H]2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1
HMDB55046	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,37,40,46,49,59H,4-8,10-11,13,15,20,22,24,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB49708	TG(18:1(9Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h13,16,22,24-25,27,51H,4-12,14-15,17-21,23,26,28-50H2,1-3H3/b16-13-,24-22-,27-25-
HMDB49709	TG(18:1(9Z)/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19,24-26,28-29,31,52H,4-15,17-18,20-23,27,30,32-51H2,1-3H3/b19-16-,26-24-,28-25-,31-29-
HMDB55047	TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,16-19,21,23,25-28,31-33,37,39-40,42,46,49,59H,4-8,10-11,13,15,20,22,24,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-
HMDB49704	TG(18:1(9Z)/14:0/22:1(13Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h24-26,30,54H,4-23,27-29,31-53H2,1-3H3/b26-24-,30-25-
HMDB49705	TG(18:1(9Z)/14:0/24:1(15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h24-26,32,56H,4-23,27-31,33-55H2,1-3H3/b26-24-,32-25-
HMDB49707	TG(18:1(9Z)/14:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,31,33,50H,4-15,17-18,20-23,28-30,32,34-49H2,1-3H3/b19-16-,26-24-,27-25-,33-31-
HMDB49700	TG(18:1(11Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,21,24-25,28,31-32,37,40,46,49,59H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,32-31-,40-37-,49-46-
HMDB55044	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-33,36,39-40,43,45,48,59H,4-15,17,20,22-24,26,29-30,34-35,37-38,41-42,44,46-47,49-58H2,1-3H3/b19-16-,21-18-,28-25-,32-31-,33-27-,39-36-,43-40-,48-45-
HMDB49702	TG(18:1(9Z)/14:0/20:1(11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h24-26,28,52H,4-23,27,29-51H2,1-3H3/b26-24-,28-25-
HMDB49703	TG(18:1(9Z)/14:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h24-26,28-29,31,36,39,52H,4-23,27,30,32-35,37-38,40-51H2,1-3H3/b26-24-,28-25-,31-29-,39-36-
HMDB44633	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,38-39,41-42,47-48,50-51,60H,4-7,9-10,12-15,18,21-24,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-
HMDB44632	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,38-39,41-42,48,51,60H,4-7,9-10,12-15,18,21-24,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-
HMDB44631	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,32,34,39,42,48,51,60H,4-7,9-10,12-15,18,21-24,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,42-39-,51-48-
HMDB44630	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,18,21-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB44637	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,9,12-15,18,21-24,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-
HMDB44636	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,30,32-33,36-37,40,46,49,58H,4-6,9,12-15,18,21-24,29,31,34-35,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-30-,36-33-,40-37-,49-46-
HMDB44635	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37-38,40,44,47,56H,4-6,9,12-15,18,21-24,28,32-34,36,39,41-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,40-37-,47-44-
HMDB44634	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,38,44,47,56H,4-6,9,12-15,18,21-24,28,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,38-35-,47-44-
HMDB55042	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,39-40,42-44,47,49,52,62H,4-6,8-9,11-15,22-24,30-31,37-38,41,45-46,48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,52-49-
HMDB44639	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,47-48,50-51,60H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-
HMDB44638	TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-39,41-42,48,51,60H,4-6,9,12-15,18,21-24,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-
HMDB44864	TG(18:0/14:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,50H,4-14,16-17,19-23,25,27-49H2,1-3H3/b18-15-,26-24-
HMDB55043	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,39-40,42-44,47-49,51-52,62H,4-6,8-9,11-15,22-24,30-31,37-38,41,45-46,50,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-,52-49-
HMDB09075	PE(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,43H,3-10,12,14-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1
HMDB55040	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,37-38,41-42,45,47,50,60H,4-7,9-10,12-15,22-24,30,32,36,39-40,43-44,46,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,50-47-
HMDB44862	TG(18:0/14:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15,18,20,23,48H,4-14,16-17,19,21-22,24-47H2,1-3H3/b18-15-,23-20-
HMDB55041	TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-7,9-10,12-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-
HMDB51543	TG(22:1(13Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,55H,4-14,16-17,19-23,25,27-54H2,1-3H3/b18-15-,26-24-
HMDB44863	TG(18:0/14:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,50H,4-14,16-17,20-21,23-49H2,1-3H3/b18-15-,22-19-
HMDB41281	2-(Methylthio)phenol	CSC1=C(O)C=CC=C1	InChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
HMDB41280	Raphanusamic acid	OC(=O)C1CSC(=S)N1	InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)
HMDB41283	1-(2-Furanyl)-1,3-butanedione	CC(=O)CC(=O)C1=CC=CO1	InChI=1S/C8H8O3/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4H,5H2,1H3
HMDB41282	2-Ethoxythiazole	CCOC1=NC=CS1	InChI=1S/C5H7NOS/c1-2-7-5-6-3-4-8-5/h3-4H,2H2,1H3
HMDB41285	Picraquassioside A	COC1=C(CCC(O)=O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C=CO2	InChI=1S/C18H22O10/c1-25-17-8(2-3-13(20)21)11(6-10-9(17)4-5-26-10)27-18-16(24)15(23)14(22)12(7-19)28-18/h4-6,12,14-16,18-19,22-24H,2-3,7H2,1H3,(H,20,21)
HMDB41284	2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone	CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C=C1O	InChI=1S/C15H20O4/c1-8(2)5-6-10-11(16)7-12(17)13(15(10)19)14(18)9(3)4/h5,7,9,16-17,19H,6H2,1-4H3
HMDB41287	16-Hydroxy-10-oxohexadecanoic acid	OCCCCCCC(=O)CCCCCCCCC(O)=O	InChI=1S/C16H30O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h17H,1-14H2,(H,19,20)
HMDB41286	2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone	COC1=C(O)C=CC(=C1)C(=O)C(O)CO	InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,11-13H,5H2,1H3
HMDB41289	Cassitoroside	COC1=CC2=C(C(OC3OC(CO)C(O)C(O)C3O)=C1)C(OC)=C(C(C)=O)C(OC1OCC(O)(CO)C1O)=C2	InChI=1S/C25H32O14/c1-10(28)16-13(38-24-22(32)25(33,8-27)9-36-24)5-11-4-12(34-2)6-14(17(11)21(16)35-3)37-23-20(31)19(30)18(29)15(7-26)39-23/h4-6,15,18-20,22-24,26-27,29-33H,7-9H2,1-3H3
HMDB41288	2-Butyl-1-octanol	CCCCCCC(CO)CCCC	InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
HMDB44861	TG(18:0/14:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14-15,17-18,46H,4-13,16,19-45H2,1-3H3/b17-14-,18-15-
HMDB51542	TG(22:1(13Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,30,32,36,39,44,47,58H,4-6,8-9,11-14,17,20-23,28-29,31,33-35,37-38,40-43,45-46,48-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,32-30-,39-36-,47-44-
HMDB44868	TG(18:0/14:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,24,26,56H,4-14,16-17,19-23,25,27-55H2,1-3H3/b18-15-,26-24-
HMDB09079	PE(18:1(9Z)/24:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25,45H,3-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b25-18-/t45-/m1/s1
HMDB49328	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,36,39,45,48,60H,4-20,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b24-21-,28-25-,29-26-,39-36-,48-45-
HMDB39048	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide; (5a,6a,8a)-form, 11a,13-Dihydro, 15-aldehyde, 8-(4-hydroxyphenylacetyl)	CC1C2C(OC1=O)C1C(C=O)=CC(=O)C1=C(C)CC2OC(=O)CC1=CC=C(O)C=C1	InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9-10,12,17,20-22,25H,7-8H2,1-2H3
HMDB39049	Notoginsenoside T1	C\C(=C/C(O)C1OC1(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C36H60O10/c1-17(13-20(39)30-33(4,5)46-30)18-9-12-35(7)25(18)19(38)14-23-34(6)11-10-24(40)32(2,3)29(34)21(15-36(23,35)8)44-31-28(43)27(42)26(41)22(16-37)45-31/h13,18-31,37-43H,9-12,14-16H2,1-8H3/b17-13+
HMDB39040	Apiumoside	CC(C)(OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2	InChI=1S/C29H30O12/c1-29(2,19-12-16-11-15-6-10-21(32)40-26(15)25(36)27(16)39-19)41-28-24(35)23(34)22(33)18(38-28)13-37-20(31)9-5-14-3-7-17(30)8-4-14/h3-11,18-19,22-24,28,30,33-36H,12-13H2,1-2H3/b9-5+
HMDB03563	Morphinone	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@H](C4)[C@]1([H])C=CC2=O	InChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1
HMDB30489	Artonol C	CC(=C)C1CC2=C(OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C2=O)C2=C1C(O)=C1OC(C)(C)C=CC1=C2O	InChI=1S/C30H28O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31-32,34H,1,11H2,2-6H3
HMDB39043	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone; (3'x,5'a,9'x,10'b)-form, 3'-Deoxy, 6'-ketone	CC1=CC(=O)C2C(C)(C)CCCC2(C)C1COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C24H28O4/c1-15-12-19(25)22-23(2,3)10-5-11-24(22,4)18(15)14-27-17-8-6-16-7-9-21(26)28-20(16)13-17/h6-9,12-13,18,22H,5,10-11,14H2,1-4H3
HMDB39044	Ethylsuberenol	CCOC(C)(C)\C=C\C1=C(OC)C=C2OC(=O)C=CC2=C1	InChI=1S/C17H20O4/c1-5-20-17(2,3)9-8-13-10-12-6-7-16(18)21-15(12)11-14(13)19-4/h6-11H,5H2,1-4H3/b9-8+
HMDB39045	8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one	O=C1OC2=C3OCOC3=CC=C2C=C1	InChI=1S/C10H6O4/c11-8-4-2-6-1-3-7-10(9(6)14-8)13-5-12-7/h1-4H,5H2
HMDB39046	Daphnoretin methyl ether	COC1=CC2=C(C=C1OC)C=C(OC1=CC=C3C=CC(=O)OC3=C1)C(=O)O2	InChI=1S/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3
HMDB39047	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; 4-Me ether, 9-O-b-D-glucopyranoside	COC1=C2C=CC(=O)OC2=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C=CO2	InChI=1S/C18H18O10/c1-24-14-7-2-3-10(20)27-16(7)17(15-8(14)4-5-25-15)28-18-13(23)12(22)11(21)9(6-19)26-18/h2-5,9,11-13,18-19,21-23H,6H2,1H3
HMDB32096	Omphalotin B	CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C2CC3(O)C(NC4=C3C=CC=C4)N2C(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)C(O)N(C)C(=O)C(C(C)C(C)OC(=O)CC(C)(C)O)N(C)C(=O)C(N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)(C)O)C(C)C	InChI=1S/C74H123N13O18/c1-28-42(11)53-64(95)82(23)56(41(9)10)67(98)83(24)55(40(7)8)65(96)78(19)36-49(88)80(21)59(73(17,18)103)69(100)85(26)58(44(13)45(14)105-51(90)35-72(15,16)102)68(99)86(27)70(101)61(92)76-52(38(3)4)63(94)84(25)57(43(12)29-2)66(97)79(20)37-50(89)87-48(62(93)81(22)54(39(5)6)60(91)77-53)34-74(104)46-32-30-31-33-47(46)75-71(74)87/h30-33,38-45,48,52-59,70-71,75,101-104H,28-29,34-37H2,1-27H3,(H,76,92)(H,77,91)
HMDB32097	2,4-cis-Trilobacinone	CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCC1CC(CC(C)=O)C(=O)O1	InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3
HMDB32094	Panatellin	CCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC1=CC(C)OC1=O	InChI=1S/C35H64O5/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-12-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3
HMDB32095	5-Hydroxy-4-methoxy-5-(1-oxo-9,12,15-hexadecatrienyl)-2(5H)-furanone	COC1=CC(=O)OC1(O)C(=O)CCCCCCC\C=C\C\C=C\CC=C	InChI=1S/C21H30O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)21(24)19(25-2)17-20(23)26-21/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/b6-5+,9-8+
HMDB31219	Ethyl carbamate	CCOC(N)=O	InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
HMDB31218	Ethyl 3-oxobutanoate	CCOC(=O)CC(C)=O	InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
HMDB32090	12-Oxo-2,3-dinor-10,15-phytodienoic acid	CC\C=C\CC1C(CCCCCC(O)=O)C=CC1=O	InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3+
HMDB32091	Glacin B	CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-12-11-13-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
HMDB31215	N-Ethylacetamide	CCNC(C)=O	InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
HMDB31214	5-Ethoxy-4,5-dihydro-2(3H)furanone	CCOC1CCC(=O)O1	InChI=1S/C6H10O3/c1-2-8-6-4-3-5(7)9-6/h6H,2-4H2,1H3
HMDB31217	Ethyl acetate	CCOC(C)=O	InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
HMDB31216	Ethyl acetoacetate	CCOC(=O)CC(C)=O.CCOC(=O)\C=C(/C)O	InChI=1S/2C6H10O3/c2*1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3;4,7H,3H2,1-2H3/b;5-4+
HMDB31211	Endrin	ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl	InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2
HMDB31210	Zymonic acid	CC1(OC(=O)C(O)=C1)C(O)=O	InChI=1S/C6H6O5/c1-6(5(9)10)2-3(7)4(8)11-6/h2,7H,1H3,(H,9,10)
HMDB31213	2-Ethoxyethanol	CCOCCO	InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
HMDB32099	3-Methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioic acid; Di-Me ester	COC(=O)\C=C(\OC)C(=O)C(CCCCCCC\C=C\C\C=C\CC=C)C(=O)OC	InChI=1S/C24H36O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24(27)30-4)23(26)21(28-2)19-22(25)29-3/h5,7-8,10-11,19-20H,1,6,9,12-18H2,2-4H3/b8-7+,11-10+,21-19+
HMDB44308	TG(16:0/20:2n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,57H,4-13,15-16,18-22,24-25,27-56H2,1-3H3/b17-14-,26-23-
HMDB45942	TG(20:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,32,34,39,42,61H,4-6,8-9,11-14,17,20-23,26,29-31,33,35-38,40-41,43-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,34-32-,42-39-
HMDB45943	TG(20:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,32,34,39,42,48,51,61H,4-6,8-9,11-14,17,20-23,26,29-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,34-32-,42-39-,51-48-
HMDB45940	TG(20:0/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,34,36,59H,4-6,8-9,11-14,17,20-23,26,29-33,35,37-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,36-34-
HMDB45941	TG(20:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,34,36,42,45,59H,4-6,8-9,11-14,17,20-23,26,29-33,35,37-41,43-44,46-58H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,36-34-,45-42-
HMDB45946	TG(20:0/20:3n6/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,38,41,62H,4-17,19-20,22-26,28-29,31-37,39-40,42-61H2,1-3H3/b21-18-,30-27-,41-38-
HMDB45947	TG(20:0/20:3n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,64H,4-17,19-20,22-26,28-29,31-39,41-42,44-63H2,1-3H3/b21-18-,30-27-,43-40-
HMDB45944	TG(20:0/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,58H,4-13,15-16,18-22,24-25,27-57H2,1-3H3/b17-14-,26-23-
HMDB45945	TG(20:0/20:3n6/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,60H,4-17,19-20,22-26,28-29,31-35,37-38,40-59H2,1-3H3/b21-18-,30-27-,39-36-
HMDB57750	CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,29-30,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB45948	TG(20:0/20:3n6/14:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,31,33,54H,4-14,16,19,21-24,26,28-30,32,34-53H2,1-3H3/b18-15-,20-17-,27-25-,33-31-
HMDB45949	TG(20:0/20:3n6/16:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,32,35,56H,4-16,18-19,22-23,25,27,29-31,33-34,36-55H2,1-3H3/b20-17-,24-21-,28-26-,35-32-
HMDB45196	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,43,46,58H,4-15,18,21-24,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB32548	Undecanal propyleneglycol acetal	CCCCCCCCCCC1OCC(C)O1	InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-14-15-12-13(2)16-14/h13-14H,3-12H2,1-2H3
HMDB32549	N-Undecylbenzenesulfonic acid	CCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O	InChI=1S/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21(18,19)20/h12-15H,2-11H2,1H3,(H,18,19,20)
HMDB32544	2,4,6-Trimethylphenol	CC1=CC(C)=C(O)C(C)=C1	InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
HMDB32545	Tripropylamine	CCCN(CCC)CCC	InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
HMDB32547	2,4,6-Trithiaheptane	CSCSCSC	InChI=1S/C4H10S3/c1-5-3-7-4-6-2/h3-4H2,1-2H3
HMDB32540	2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde	CC1=C(CC=O)C(C)(C)CCC1	InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3
HMDB32541	4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one	C\C=C\C(=O)C1=C(C)CCCC1(C)C	InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
HMDB32542	trans- and cis-2,4,8-Trimethyl-3,7-nona-dien-2-ol	CC(C)=CCCC(C)=CC(C)(C)O	InChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,9,13H,6,8H2,1-5H3/b11-9+
HMDB32543	(+/-)-2,4,8-Trimethyl-7-nonen-2-ol	CC(CCC=C(C)C)CC(C)(C)O	InChI=1S/C12H24O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,11,13H,6,8-9H2,1-5H3
HMDB37684	C.I. Pigment Red 172	[Al+3].[Al+3].[Al+3].[Al+3].[O-]C(=O)C1=CC=CC=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C1C=C(I)C([O-])=C2I.[O-]C(=O)C1=CC=CC=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C1C=C(I)C([O-])=C2I.[O-]C(=O)C1=CC=CC=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C1C=C(I)C([O-])=C2I.[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=CC(I)=C([O-])C(I)=C1O2.[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=CC(I)=C([O-])C(I)=C1O2.[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=CC(I)=C([O-])C(I)=C1O2	InChI=1S/6C20H8I4O5.4Al/c3*21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;3*21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;;;/h3*1-6,25-26H;3*1-6,25H,(H,27,28);;;;/q;;;;;;4*+3/p-12
HMDB37685	xi-Norepinephrine	NCC(O)C1=CC(O)=C(O)C=C1	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
HMDB37686	7-Hydroxy-5-methoxyflavan	COC1=C2CCC(OC2=CC(O)=C1)C1=CC=CC=C1	InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3
HMDB37687	Prunus inhibitor b	OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O	InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2
HMDB37680	2-Methylphenyl 2-methylpropanoate	CC(C)C(=O)OC1=CC=CC=C1C	InChI=1S/C11H14O2/c1-8(2)11(12)13-10-7-5-4-6-9(10)3/h4-8H,1-3H3
HMDB37681	Vanillin isobutyrate	COC1=CC(C=O)=CC=C1OC(=O)C(C)C	InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
HMDB37682	Ethylvanillin glucoside	CCOC1=CC(C=O)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C15H20O8/c1-2-21-10-5-8(6-16)3-4-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h3-6,11-15,17-20H,2,7H2,1H3
HMDB37683	Ethyl vanillin isobutyrate	CCOC1=CC(C=O)=CC=C1OC(=O)C(C)C	InChI=1S/C13H16O4/c1-4-16-12-7-10(8-14)5-6-11(12)17-13(15)9(2)3/h5-9H,4H2,1-3H3
HMDB59219	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,41-44,49-50,53-54,62,66,83-85,90H,5-8,10-12,14-20,23-24,27-32,35-36,39-40,45-48,51-52,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,53-49-,54-50-,66-62-/t83?,84-,85-/m1/s1
HMDB59218	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,36-37,40-43,48-49,51-52,60,64,81-83,88H,5-8,10-12,14-20,23-24,27-32,35,38-39,44-47,50,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-,64-60-/t81?,82-,83-/m1/s1
HMDB37688	5-Nitro-2-propoxyaniline	CCCOC1=C(N)C=C(C=C1)N(=O)=O	InChI=1S/C9H12N2O3/c1-2-5-14-9-4-3-7(11(12)13)6-8(9)10/h3-4,6H,2,5,10H2,1H3
HMDB37689	3-Methoxynobiletin	COC1=CC=C(C=C1OC)C1=C(OC)C(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC	InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
HMDB08619	PC(22:2(13Z,16Z)/P-16:0)	CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,38,41,45H,6-13,15,17-19,21,23-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,41-38-
HMDB08618	PC(22:2(13Z,16Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,52H,6-14,16,18-19,24-51H2,1-5H3/b17-15-,22-20-,23-21-/t52-/m1/s1
HMDB08615	PC(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,27,29,33,35,50H,6-8,10,12-13,18-19,24-26,28,30-32,34,36-49H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,29-27-,35-33-/t50-/m1/s1
HMDB08614	PC(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,33,35,39,41,50H,6-13,18-19,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1
HMDB08617	PC(22:2(13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,52H,6-14,16,18-20,22,24-51H2,1-5H3/b17-15-,23-21-/t52-/m1/s1
HMDB08616	PC(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,27,29,33,35,39,41,50H,6-8,10,12-13,18-19,24-26,28,30-32,34,36-38,40,42-49H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,29-27-,35-33-,41-39-/t50-/m1/s1
HMDB08611	PC(22:2(13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,50H,6-13,15,17-19,24-49H2,1-5H3/b16-14-,22-20-,23-21-/t50-/m1/s1
HMDB08610	PC(22:2(13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,50H,6-13,15,17-19,21,23-49H2,1-5H3/b16-14-,22-20-/t50-/m1/s1
HMDB08613	PC(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,33,35,50H,6-13,18-19,24-26,28,30-32,34,36-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-,35-33-/t50-/m1/s1
HMDB08612	PC(22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,50H,6-13,18-19,24-49H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t50-/m1/s1
HMDB38799	Coriandrinonediol	CC1(C)CCC(=O)C2(C)C1CCC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC12C	InChI=1S/C30H50O3/c1-25(2)13-11-23(33)30(8)19(25)9-16-29(7)24(30)18(31)17-21-27(5)14-12-22(32)26(3,4)20(27)10-15-28(21,29)6/h18-22,24,31-32H,9-17H2,1-8H3
HMDB38798	1(10),5-Germacradiene-4,11,12-triol; (1(10)E,4a,5E)-form, 12-Ac	CC(=O)OCC(C)(O)C1CC\C(C)=C/CCC(C)(O)C=C1	InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9-,13-6-
HMDB38793	Melleolide G	COC1=CC(C)=C(C(=O)OC2CC3(C)C4CC(C)(CO)CC4C=C(CO)C23O)C(O)=C1	InChI=1S/C24H32O7/c1-13-5-16(30-4)7-18(27)20(13)21(28)31-19-10-23(3)17-9-22(2,12-26)8-14(17)6-15(11-25)24(19,23)29/h5-7,14,17,19,25-27,29H,8-12H2,1-4H3
HMDB38792	5-Pentyloxazole	CCCCCC1=CN=CO1	InChI=1S/C8H13NO/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3
HMDB38791	2,4,6-Triethyl-1,3,5-oxadithiane	CCC1OC(CC)SC(CC)S1	InChI=1S/C9H18OS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3
HMDB38790	3-Phenyl-4-pentenal	C=CC(CC=O)C1=CC=CC=C1	InChI=1S/C11H12O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2
HMDB38797	Uralenolide	CC12CC(OC1=O)C1(C)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(CO)C5CCC34C)=C1C2	InChI=1S/C30H44O4/c1-25-15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(16-25)34-24(25)33/h7-8,20-23,31-32H,9-17H2,1-6H3
HMDB38796	2,7(14)-Illudadiene-10,15-diol	CC1(C)CC2=C(CO)C3(CC3)C(=C)CC2C1O	InChI=1S/C15H22O2/c1-9-6-10-11(7-14(2,3)13(10)17)12(8-16)15(9)4-5-15/h10,13,16-17H,1,4-8H2,2-3H3
HMDB38795	7,9-Illudadiene-3,14-diol	CC1(C)CC2C(=C1)C=C(CO)C1(CC1)C2(C)O	InChI=1S/C15H22O2/c1-13(2)7-10-6-11(9-16)15(4-5-15)14(3,17)12(10)8-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3
HMDB38794	2,12-Epoxy-7(14)-illudadiene-3,8-diol	CC12COC3(C1)C(=C2)C(O)C(=C)C1(CC1)C3(C)O	InChI=1S/C15H20O3/c1-9-11(16)10-6-12(2)7-15(10,18-8-12)13(3,17)14(9)4-5-14/h6,11,16-17H,1,4-5,7-8H2,2-3H3
HMDB35019	Phenethyl salicylate	OC1=CC=CC=C1C(=O)OCCC1=CC=CC=C1	InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
HMDB35018	2-Phenylethyl 3-phenyl-2-propenoate	O=C(OCCC1=CC=CC=C1)\C=C\C1=CC=CC=C1	InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
HMDB35017	2-Phenylethyl 3-methylbutanoate	CC(C)CC(=O)OCCC1=CC=CC=C1	InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
HMDB35016	2-Phenylethyl pentanoate	CCCCC(=O)OCCC1=CC=CC=C1	InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
HMDB35015	2-Phenylethyl 2-methylpropanoate	CC(C)C(=O)OCCC1=CC=CC=C1	InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
HMDB35014	2-Phenylethyl butanoate	CCCC(=O)OCCC1=CC=CC=C1	InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
HMDB35013	2-Phenylethyl propanoate	CCC(=O)OCCC1=CC=CC=C1	InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
HMDB35012	Momordicoside C	CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C	InChI=1S/C42H72O14/c1-20(17-24(44)35(51)39(4,5)52)21-13-14-42(8)27-11-9-22-23(40(27,6)15-16-41(21,42)7)10-12-28(38(22,2)3)56-37-34(50)32(48)30(46)26(55-37)19-53-36-33(49)31(47)29(45)25(18-43)54-36/h9,20-21,23-37,43-52H,10-19H2,1-8H3
HMDB35011	Momordicoside D	CC(C(O)C(O)C=C(C)C)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C	InChI=1S/C42H70O13/c1-20(2)17-25(44)30(45)21(3)22-13-14-42(8)28-11-9-23-24(40(28,6)15-16-41(22,42)7)10-12-29(39(23,4)5)55-38-36(51)34(49)32(47)27(54-38)19-52-37-35(50)33(48)31(46)26(18-43)53-37/h9,17,21-22,24-38,43-51H,10-16,18-19H2,1-8H3
HMDB35010	2-Methylpropyl phenylacetate	CC(C)COC(=O)CC1=CC=CC=C1	InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
HMDB58211	CL(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB41919	lormetazepam	CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl	InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
HMDB41918	lorcainide	CC(C)N1CCC(CC1)N(C(=O)CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3
HMDB58160	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C84H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)77-99-103(92,93)97-73-78(85)72-96-102(90,91)98-76-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-38,41-43,47,55,59,78-80,85H,5-20,22-24,28-29,32,34-35,39-40,44-46,48-54,56-58,60-77H2,1-4H3,(H,90,91)(H,92,93)/b25-21-,30-26-,31-27-,37-33-,41-36-,42-38-,47-43-,59-55-/t78?,79-,80-/m1/s1
HMDB58161	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)102-80(75-95-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(101-84(89)71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,37-39,42-44,48,56,60,79-81,86H,5-20,22-24,29,34-36,40-41,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,30-26-,31-27-,32-28-,37-33-,42-38-,43-39-,48-44-,60-56-/t79?,80-,81-/m1/s1
HMDB58166	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,29-30,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB58167	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-38,42-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,28-30,32,35,39-41,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,42-36-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB58164	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,37-38,43-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,28-30,32,35-36,39-42,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,37-33-,38-34-,46-43-,48-44-,58-54-,60-56-/t79?,80-,81-/m1/s1
HMDB58165	CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,29-30,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77?,78-,79-/m1/s1
HMDB41911	isepamicin	[H][C@](O)(CN)C(O)=N[C@]1([H])C[C@]([H])(N)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CN)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O[C@@]1([H])OC[C@](C)(O)[C@]([H])(NC)[C@@]1([H])O	InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1
HMDB41910	iopromide	COCC(O)=NC1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(=O)N(C)CC(O)CO)=C1I	InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)
HMDB41913	ketobemidone	CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1	InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
HMDB41912	isonicotinylglycine	OC(=O)CNC(=O)C1=CC=NC=C1	InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-1-3-9-4-2-6/h1-4H,5H2,(H,10,13)(H,11,12)
HMDB41914	ketophenylbutazone	CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
HMDB41917	lorazepam glucuronide	[H][C@@]1(OC2([H])N=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N=C2O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	InChI=1S/C21H18Cl2N2O8/c22-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)23)25-19(18(29)24-12)33-21-16(28)14(26)15(27)17(32-21)20(30)31/h1-7,14-17,19,21,26-28H,(H,24,29)(H,30,31)/t14-,15-,16+,17-,19?,21-/m0/s1
HMDB41916	leuprorelin	[H][C@@](CO)(N=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)N=C(O)[C@]([H])(CC1=CN=CN1)N=C(O)[C@]1([H])CCC(O)=N1)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=N[C@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCNC(N)=N)C(=O)N1CCC[C@@]1([H])C(O)=NCC	InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1
HMDB44398	TG(16:0/22:2(13Z,16Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,58H,4-15,17-18,20-24,29-57H2,1-3H3/b19-16-,27-25-,28-26-
HMDB44399	TG(16:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,36,42,45,58H,4-15,17-18,20-24,29-32,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,27-25-,28-26-,36-33-,45-42-
HMDB44394	TG(16:0/22:2(13Z,16Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,52H,4-14,17,20-23,26-51H2,1-3H3/b18-15-,19-16-,25-24-
HMDB44395	TG(16:0/22:2(13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,54H,4-15,17-18,21-22,24,27-53H2,1-3H3/b19-16-,23-20-,26-25-
HMDB44396	TG(16:0/22:2(13Z,16Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,56H,4-15,17-18,21-22,24,26,28-55H2,1-3H3/b19-16-,23-20-,27-25-
HMDB44397	TG(16:0/22:2(13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,31,56H,4-15,17-18,20-24,28-30,32-55H2,1-3H3/b19-16-,27-25-,31-26-
HMDB44390	TG(16:0/22:2(13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-
HMDB44391	TG(16:0/22:2(13Z,16Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,58H,4-15,17-18,20-24,26,28-57H2,1-3H3/b19-16-,27-25-
HMDB44392	TG(16:0/22:2(13Z,16Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,60H,4-16,18-19,21-25,27,29-59H2,1-3H3/b20-17-,28-26-
HMDB44393	TG(16:0/22:2(13Z,16Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,62H,4-16,18-19,21-25,27,29-61H2,1-3H3/b20-17-,28-26-
HMDB59024	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C86H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-42-36-32-28-24-20-16-12-8-4)78-100-104(92,93)98-74-80(87)75-99-105(94,95)101-79-82(103-86(91)73-69-65-61-57-53-49-43-39-35-31-27-23-19-15-11-7-3)77-97-84(89)71-67-63-59-55-51-47-45-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-39,43-47,54-55,58-59,80-82,87H,5-20,23-24,29-30,35-36,40-42,48-53,56-57,60-79H2,1-4H3,(H,92,93)(H,94,95)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,43-39-,46-44-,47-45-,58-54-,59-55-/t80?,81-,82-/m1/s1
HMDB15239	Methyprylon	CCC1(CC)C(=O)NCC(C)C1=O	InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)
HMDB15238	Levocabastine	C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1	InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23?,25?,26-/m1/s1
HMDB34658	9-Acetoxyfukinanolide	CC1CCCC2C(OC(C)=O)C3(CC12C)C(=C)COC3=O	InChI=1S/C17H24O4/c1-10-6-5-7-13-14(21-12(3)18)17(9-16(10,13)4)11(2)8-20-15(17)19/h10,13-14H,2,5-9H2,1,3-4H3
HMDB34659	Homofukinolide	C\C=C(/C)C(=O)OC1C2C(CCC(C)C2(C)CC11C(=C)COC1=O)OC(=O)C(\C)=C\C	InChI=1S/C25H34O6/c1-8-14(3)21(26)30-18-11-10-16(5)24(7)13-25(17(6)12-29-23(25)28)20(19(18)24)31-22(27)15(4)9-2/h8-9,16,18-20H,6,10-13H2,1-5,7H3/b14-8+,15-9+
HMDB34656	(3xi,16xi,21xi)-12-Ursene-3,16,21-triol	CC1C(O)CC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C	InChI=1S/C30H50O3/c1-17-18(2)25-19-9-10-22-27(5)13-12-23(32)26(3,4)21(27)11-14-29(22,7)30(19,8)16-24(33)28(25,6)15-20(17)31/h9,17-18,20-25,31-33H,10-16H2,1-8H3
HMDB15234	Arbutamine	O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1	InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1
HMDB15237	Sibutramine	CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1	InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
HMDB34655	3-Epikatonic acid	[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27+,28-,29+,30+/m0/s1
HMDB34652	Soyasapogenol E	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(=O)C1	InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3
HMDB34653	Pokeberrygenin	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(O)=O	InChI=1S/C31H48O6/c1-26(2)21-10-11-30(6)22(28(21,4)17-20(32)23(26)33)9-8-18-19-16-27(3,25(36)37-7)12-14-31(19,24(34)35)15-13-29(18,30)5/h8,19-23,32-33H,9-17H2,1-7H3,(H,34,35)
HMDB15233	Capecitabine	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O	InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
HMDB34651	Soyasaponin III	CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1	InChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)
HMDB59025	CL(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,44-48,50,55-56,58-60,62,81-83,88H,5-20,24,29-31,36,40-43,49,51-54,57,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,50-46-,59-55-,60-56-,62-58-/t81?,82-,83-/m1/s1
HMDB29777	5-Isopropyl-2-methyl-1,3-benzenediol; Mono-O-b-D-glucopyranoside	CC(C)C1=CC(O)=C(C)C(OC2OC(CO)C(O)C(O)C2O)=C1	InChI=1S/C16H24O7/c1-7(2)9-4-10(18)8(3)11(5-9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3
HMDB29776	Dhurrin 6'-glucoside	OCC1OC(OCC2OC(OC(C#N)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C20H27NO12/c21-5-10(8-1-3-9(23)4-2-8)31-20-18(29)16(27)14(25)12(33-20)7-30-19-17(28)15(26)13(24)11(6-22)32-19/h1-4,10-20,22-29H,6-7H2
HMDB29775	Vinyl caffeate	OC1=C(O)C=C(\C=C\C(=O)OC=C)C=C1	InChI=1S/C11H10O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h2-7,12-13H,1H2/b6-4+
HMDB29774	7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran	COCC(=O)C1=C(O)C=C2OC(C)(C)C=CC2=C1	InChI=1S/C14H16O4/c1-14(2)5-4-9-6-10(12(16)8-17-3)11(15)7-13(9)18-14/h4-7,15H,8H2,1-3H3
HMDB29773	6,9-Dihydroxy-4,7-megastigmadien-3-one; (6x,7E,9x)-form, 9-O-[b-D-Apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+
HMDB29772	6,9-Dihydroxy-4,7-megastigmadien-3-one; (6x,7E,9x)-form, 9-O-b-D-Glucopyranoside	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+
HMDB29771	6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7,8-Dihydro, 9-O-[b-D-apiofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(CCC1(O)C(C)=CC(=O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13,15-21,25,27-32H,5-6,8-11H2,1-4H3
HMDB29770	6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7,8-Dihydro, 9-O-[a-L-rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(CCC1(O)C(C)=CC(=O)CC1(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3
HMDB29779	2-O-Protocatechuoylalphitolic acid	CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CC(OC(=O)C6=CC(O)=C(O)C=C6)C(O)C(C)(C)C5CCC34C)C12)C(O)=O	InChI=1S/C37H52O7/c1-20(2)22-12-15-37(32(42)43)17-16-35(6)23(29(22)37)9-11-28-34(5)19-26(44-31(41)21-8-10-24(38)25(39)18-21)30(40)33(3,4)27(34)13-14-36(28,35)7/h8,10,18,22-23,26-30,38-40H,1,9,11-17,19H2,2-7H3,(H,42,43)
HMDB29778	4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 9CI; ()-form, 4-O-(6-O-Malonyl-b-D-glucopyranoside)	CC1OC(C)=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C1=O	InChI=1S/C15H20O11/c1-5-10(19)14(6(2)24-5)26-15-13(22)12(21)11(20)7(25-15)4-23-9(18)3-8(16)17/h5,7,11-13,15,20-22H,3-4H2,1-2H3,(H,16,17)
HMDB15583	Bifonazole	C1=CN(C=N1)C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1	InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
HMDB15582	Suramin	CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O	InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
HMDB15581	Iodipamide	OC(=O)C1=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I	InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
HMDB15587	Cyproterone	[H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@]12[H]	InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1
HMDB15586	Cyclandelate	CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1	InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
HMDB15585	Chlophedianol	CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl	InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
HMDB38015	Gibberellin A121	CC12CC=CC3(OC1=O)C1CC(O)C4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h3,5,10-14,20H,1,4,6-8H2,2H3,(H,21,22)
HMDB15589	Flunarizine	FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1	InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
HMDB38016	Ginsenoside Rh5	COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C37H64O9/c1-20(2)11-10-14-37(8,44-9)21-12-16-35(6)27(21)22(39)17-25-34(5)15-13-26(40)33(3,4)31(34)23(18-36(25,35)7)45-32-30(43)29(42)28(41)24(19-38)46-32/h11,21-32,38-43H,10,12-19H2,1-9H3
HMDB39826	xi-2-Methyl-1,3-oxathiane	CC1OCCCS1	InChI=1S/C5H10OS/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
HMDB39827	Serratol	CC(C)C1(O)CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/C1	InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8-,18-12-,19-11-
HMDB39824	O-Acetylcyclocalopin A	CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3OC(C)=O)C12	InChI=1S/C17H22O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11,13-14,21H,6-7H2,1-4H3
HMDB39825	Cyclocalopin F	CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(=O)C4=C	InChI=1S/C15H18O6/c1-6-5-19-13(18)11-9(6)15-4-8(20-14(15,3)21-11)7(2)10(16)12(15)17/h6,8-9,11-12,17H,2,4-5H2,1,3H3
HMDB39822	Stigmastane-3,6-dione	CCC(CCC(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3
HMDB39823	(-)-Epicatechin 8-C-galactoside	OC[C@H]1OC([C@H](O)[C@@H](O)[C@H]1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC=C(O)C(O)=C1	InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16+,17+,18-,19-,21?/m1/s1
HMDB39820	8-Methoxy-6,7-methylenedioxycoumarin	COC1=C2OCOC2=CC2=C1OC(=O)C=C2	InChI=1S/C11H8O5/c1-13-11-9-6(2-3-8(12)16-9)4-7-10(11)15-5-14-7/h2-4H,5H2,1H3
HMDB39821	10-Acetylpanaxytriol	CCCCCCCC(OC(C)=O)C(O)CC#CC#CC(O)C=C	InChI=1S/C19H28O4/c1-4-6-7-8-12-15-19(23-16(3)20)18(22)14-11-9-10-13-17(21)5-2/h5,17-19,21-22H,2,4,6-8,12,14-15H2,1,3H3
HMDB35026	alpha-Cyperol	CC(=C)C1CCC2(C)CCC(O)C(C)=C2C1	InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12,14,16H,1,5-9H2,2-4H3
HMDB39828	4-Mercapto-5-methyl-3(2H)-thiophenone	CC1=C(S)C(=O)CS1	InChI=1S/C5H6OS2/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3
HMDB35027	Melleolide F	CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(CO)C23O)C(O)=CC(O)=C1	InChI=1S/C23H30O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,13,16,18,24-26,28H,8-11H2,1-4H3
HMDB38012	Malvidin 3-(6-coumaroylglucoside)	[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)OC([H])([H])C2([H])OC([H])(OC3=C([H])C4=C([O+]=C3C3=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H])C([H])=C(O[H])C([H])=C4O[H])C([H])(O[H])C([H])(O[H])C2([H])O[H])C([H])=C1[H]	InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1
HMDB38013	Gibberellin A120	CC12CC=CC3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O	InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,7,11-14H,1,4-6,8-9H2,2H3,(H,20,21)
HMDB59149	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-28,33-40,44-46,48-51,55-58,60-63,67-68,70,72,74,89-91,96H,5-9,11-13,15-20,29-32,41-43,47,52-54,59,64-66,69,71,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB37301	p-Menth-1-en-9-ol acetate	CC(COC(C)=O)C1CCC(C)=CC1	InChI=1S/C12H20O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3
HMDB37300	Jubanine C	CCC(C)C(N(C)C)C(=O)N1CCCC1C(=O)NC1C(OC2=CC=C(C=C2)\C=C/NC(=O)C(CC2=CC=CC=C2)NC1=O)C1=CC=CC=C1	InChI=1S/C39H47N5O5/c1-5-26(2)34(43(3)4)39(48)44-24-12-17-32(44)37(46)42-33-35(29-15-10-7-11-16-29)49-30-20-18-27(19-21-30)22-23-40-36(45)31(41-38(33)47)25-28-13-8-6-9-14-28/h6-11,13-16,18-23,26,31-35H,5,12,17,24-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b23-22-
HMDB37303	xi-p-Mentha-1(7),2-dien-4-ol	CC(C)C1(O)CCC(=C)C=C1	InChI=1S/C10H16O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,6,8,11H,3,5,7H2,1-2H3
HMDB37302	xi-p-Mentha-3,8-dien-1-ol	CC(=C)C1=CCC(C)(O)CC1	InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,11H,1,5-7H2,2-3H3
HMDB37305	9-Undecenoic acid; (E)-form, Me ester	COC(=O)CCCCCCC\C=C/C	InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3/b4-3-
HMDB37304	()-2,6-Dimethyl-6-hepten-1-ol	CC(CO)CCCC(C)=C	InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h9-10H,1,4-7H2,2-3H3
HMDB37307	Propyl 2,4-decadienoate	CCCCC\C=C\C=C\C(=O)OCCC	InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+
HMDB37306	Pentyl decanoate	CCCCCCCCCC(=O)OCCCCC	InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3
HMDB37309	5-Hexyldihydro-4-methyl-2(3H)-furanone	CCCCCCC1OC(=O)CC1C	InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3
HMDB37308	1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone	CCC(=O)C1=C(OC)C2=C(OCO2)C=C1	InChI=1S/C11H12O4/c1-3-8(12)7-4-5-9-11(10(7)13-2)15-6-14-9/h4-5H,3,6H2,1-2H3
HMDB45115	TG(18:0/18:3(6Z,9Z,12Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31-32,34,38,41,56H,4-15,17,20,22-24,26,29-30,33,35-37,39-40,42-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,41-38-
HMDB45114	TG(18:0/18:3(6Z,9Z,12Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,18,21-22,25,27,30,37,40,55H,4-12,14-15,17,19-20,23-24,26,28-29,31-36,38-39,41-54H2,1-3H3/b16-13-,21-18-,25-22-,30-27-,40-37-
HMDB45117	TG(18:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,33,40,43,58H,4-15,17,20,22-24,26,29-32,34-39,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,33-27-,43-40-
HMDB45116	TG(18:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31-32,34,38,40-41,43,56H,4-15,17,20,22-24,26,29-30,33,35-37,39,42,44-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,41-38-,43-40-
HMDB45111	TG(18:0/18:3(6Z,9Z,12Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,35,42,45,60H,4-17,19-20,22-24,26,29-34,36-41,43-44,46-59H2,1-3H3/b21-18-,28-25-,35-27-,45-42-
HMDB45110	TG(18:0/18:3(6Z,9Z,12Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,33,40,43,58H,4-17,19-20,22-24,26,29-32,34-39,41-42,44-57H2,1-3H3/b21-18-,28-25-,33-27-,43-40-
HMDB45113	TG(18:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,54H,4-15,17,20,22-24,26,29,31-33,35,38,40-53H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-
HMDB45112	TG(18:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-19,21-22,27-28,30-31,37,40,55H,4-17,20,23-26,29,32-36,38-39,41-54H2,1-3H3/b21-18-,22-19-,30-27-,31-28-,40-37-
HMDB45119	TG(18:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30-31,33,36,39-40,43,45,48,58H,4-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-,48-45-
HMDB45118	TG(18:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30-31,33,36,39-40,43,58H,4-15,17,20,22-24,26,29,32,34-35,37-38,41-42,44-57H2,1-3H3/b19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,43-40-
HMDB29489	Farnesiferol B	C\C(CCC1C(=C)CCC(O)C1(C)C)=C\COC1=CC=C2C=CC(=O)OC2=C1	InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20,22,25H,2,5-6,10-11,14H2,1,3-4H3/b16-13-
HMDB29488	Farnesiferol A	CC1(C)C(O)CCC2(C)C(COC3=CC4=C(C=CC(=O)O4)C=C3)C(=C)CCC12	InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3
HMDB29485	(+)-Isoxanthochymol	CC(C)=CCC1CC23CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(C(=O)C4=CC(O)=C(O)C=C4)=C2OC1(C)C)C3=O	InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3
HMDB29484	Isovitexin 2''-O-glucoside	OCC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2
HMDB29487	Allyl propionate	CCC(=O)OCC=C	InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
HMDB29486	Integrin	COC1=CC2=C(C(O)=C1)C(=O)C(CC=C(C)C)=C(O2)C1=CC=C(O)C=C1O	InChI=1S/C21H20O6/c1-11(2)4-6-15-20(25)19-17(24)9-13(26-3)10-18(19)27-21(15)14-7-5-12(22)8-16(14)23/h4-5,7-10,22-24H,6H2,1-3H3
HMDB29481	Isosakuranin	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2O	InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3
HMDB29480	Brassicoside	COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)38)29-30(23(43)19-13(39)5-11(6-15(19)51-29)50-32-27(47)24(44)20(40)16(7-35)52-32)55-34-31(26(46)22(42)18(9-37)54-34)56-33-28(48)25(45)21(41)17(8-36)53-33/h2-6,16-18,20-22,24-28,31-42,44-48H,7-9H2,1H3
HMDB29483	Isotheaflavin	OC1CC2=C(OC1C1=CC(O)=C(O)C3=C1C=C(C=C(O)C3=O)C1OC3=C(CC1O)C(O)=CC(O)=C3)C=C(O)C=C2O	InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)
HMDB29482	Didymin	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O	InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3
HMDB37477	5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone	COC1=C(O)C=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1	InChI=1S/C17H16O6/c1-22-14-3-2-9(5-12(14)19)4-10-8-23-15-7-11(18)6-13(20)16(15)17(10)21/h2-3,5-7,10,18-20H,4,8H2,1H3
HMDB49379	TG(18:1(11Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,36,42,45,51,54,64H,4-16,18-19,22-23,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,45-42-,54-51-
HMDB49378	TG(18:1(11Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-29,34,36,42,45,64H,4-16,18-19,22-23,27,30-33,35,37-41,43-44,46-63H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,36-34-,45-42-
HMDB49371	TG(18:1(11Z)/24:1(15Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24-26,28-29,66H,4-20,22-23,27,30-65H2,1-3H3/b24-21-,28-25-,29-26-
HMDB44529	TG(16:0/20:4(8Z,11Z,14Z,17Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,31,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-51H2,1-3H3/b10-7-,19-16-,26-25-,31-28-
HMDB13325	2-trans,4-cis-Decadienoylcarnitine	CCCCC\C=C/C=C/C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1
HMDB13324	2-Octenoylcarnitine	CCCCC\C=C\C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1
HMDB13327	Dodecanedioylcarnitine	C[N+](C)(C)[C@H](CCC([O-])=O)OC(=O)CCCCCCCCCCC(O)=O	InChI=1S/C19H35NO6/c1-20(2,3)16(14-15-18(23)24)26-19(25)13-11-9-7-5-4-6-8-10-12-17(21)22/h16H,4-15H2,1-3H3,(H-,21,22,23,24)/t16-/m0/s1
HMDB13326	trans-2-Dodecenoylcarnitine	CCCCCCCCC\C=C\C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(20(2,3)4)15-16-18(21)22/h13-14,17H,5-12,15-16H2,1-4H3/b14-13+/t17-/m0/s1
HMDB13321	Undecanoylcarnitine	CCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C18H35NO4/c1-5-6-7-8-9-10-11-12-13-18(22)23-16(14-17(20)21)15-19(2,3)4/h16H,5-15H2,1-4H3
HMDB13322	Undecanoylcholine	CCCCCCCCCCC(=O)OCC[N+](C)(C)C	InChI=1S/C16H34NO2/c1-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17(2,3)4/h5-15H2,1-4H3/q+1
HMDB13329	trans-2-Tetradecenoylcarnitine	CCCCCCCCCCC\C=C\C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O	InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(22(2,3)4)17-18-20(23)24/h15-16,19H,5-14,17-18H2,1-4H3/b16-15+/t19-/m0/s1
HMDB13328	Pimelylcarnitine	C[N+](C)(C)[C@H](CCC([O-])=O)OC(=O)CCCCCC(O)=O	InChI=1S/C14H25NO6/c1-15(2,3)11(9-10-13(18)19)21-14(20)8-6-4-5-7-12(16)17/h11H,4-10H2,1-3H3,(H-,16,17,18,19)/t11-/m0/s1
HMDB45739	TG(20:0/18:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h27,36,62H,4-26,28-35,37-61H2,1-3H3/b36-27-
HMDB44329	TG(16:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,33,39,42,55H,4-6,8-9,11-13,15,18,20-22,24,28-30,32,34-38,40-41,43-54H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,33-31-,42-39-
HMDB10669	PG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,41-42,45-46H,3-10,15-16,20,23,26,28-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t41-,42+/m0/s1
HMDB10668	PG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,41-42,45-46H,3-11,13,15-16,20,23,26,29,31-40H2,1-2H3,(H,49,50)/b14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t41-,42+/m0/s1
HMDB45738	TG(20:0/18:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,34,60H,4-26,28-33,35-59H2,1-3H3/b34-27-
HMDB10665	PG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,39-40,43-44H,3-10,15-16,21-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-/t39-,40+/m0/s1
HMDB10664	PG(18:3(6Z,9Z,12Z)/18:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,39-40,43-44H,3-10,12,14-16,21-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,19-17-,20-18-,25-23-/t39-,40+/m0/s1
HMDB10667	PG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23,25,39-40,43-44H,3-5,7,9-10,15-16,21-22,24,26-38H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t39-,40+/m0/s1
HMDB10666	PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,39-40,43-44H,3-10,15-16,21-22,27-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40+/m0/s1
HMDB10661	PG(18:3(6Z,9Z,12Z)/16:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,21,23,37-38,41-42H,3-10,12,15,19-20,22,24-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,23-21-/t37-,38+/m0/s1
HMDB10660	PG(18:3(6Z,9Z,12Z)/16:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,37-38,41-42H,3-10,12,14-16,19-20,22,24-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,23-21-/t37-,38+/m0/s1
HMDB10663	PG(18:3(6Z,9Z,12Z)/18:1(11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,39-40,43-44H,3-10,12,15,18,20-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-,25-23-/t39-,40+/m0/s1
HMDB10662	PG(18:3(6Z,9Z,12Z)/18:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,39-40,43-44H,3-10,12,14-16,18,20-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,19-17-,25-23-/t39-,40+/m0/s1
HMDB44522	TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,34,37,52H,4-6,9,12-15,18,21-24,29-33,35-36,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,37-34-
HMDB44328	TG(16:0/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-27,31,33,55H,4-6,8-9,11-13,15,18,20-22,24,28-30,32,34-54H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,27-25-,33-31-
HMDB44526	TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,37-38,41,56H,4-6,9,12-15,18,21-24,28,32-33,35-36,39-40,42-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,41-38-
HMDB44524	TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32,36,39,54H,4-6,9,12-15,18,21-24,28,31,33-35,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,39-36-
HMDB45735	TG(20:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,38,41,47,50,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,41-38-,50-47-
HMDB45734	TG(20:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,33-31-,41-38-
HMDB48431	TG(16:1(9Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,27,29,34,37,50H,4-6,8-9,11-15,17-18,21-22,26,28,30-33,35-36,38-49H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,29-27-,37-34-
HMDB05420	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-15,17,20,22-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-/t60-/m0/s1
HMDB58383	CL(18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB05423	TG(16:1(9Z)/18:0/18:1(9Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,52H,4-20,22-23,26,28-51H2,1-3H3/b24-21-,27-25-/t52-/m1/s1
HMDB00448	Adipic acid	OC(=O)CCCCC(O)=O	InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
HMDB00449	5a-Tetrahydrocorticosterone	[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C	InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1
HMDB14968	Phenmetrazine	CC1NCCOC1C1=CC=CC=C1	InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
HMDB14969	Trifluoperazine	CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1	InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
HMDB42335	TG(14:0/18:1(11Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h20,23,52H,4-19,21-22,24-51H2,1-3H3/b23-20-
HMDB14962	Enprofylline	CCCN1C2=C(NC=N2)C(=O)NC1=O	InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
HMDB48435	TG(16:1(9Z)/15:0/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,47H,4-18,21,24-46H2,1-3H3/b22-19-,23-20-
HMDB14960	Disulfiram	CCN(CC)C(=S)SSC(=S)N(CC)CC	InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
HMDB14961	Ethynodiol Diacetate	[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H]	InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
HMDB14966	Fosfomycin	C[C@@H]1O[C@@H]1P(O)(O)=O	InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
HMDB14967	Diazepam	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1	InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
HMDB14964	Natamycin	C[C@H]1OC(O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O	InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32?,33-/m1/s1
HMDB14965	Cinoxacin	CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12	InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
HMDB56502	CL(16:0/18:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h21,25,33,36,40,44,52,56,75-77,82H,5-20,22-24,26-32,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB42337	TG(14:0/18:1(11Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h20,23,56H,4-19,21-22,24-55H2,1-3H3/b23-20-
HMDB48437	TG(16:1(9Z)/15:0/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h20,23,25-26,49H,4-19,21-22,24,27-48H2,1-3H3/b23-20-,26-25-
HMDB56503	CL(16:0/18:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,25,33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB42330	TG(14:0/16:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(48-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-
HMDB05426	TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,38,41,54H,4-15,17-18,20,22-23,26,28-29,31,33-37,39-40,42-53H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,41-38-/t54-/m1/s1
HMDB56500	CL(16:0/18:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h35,38,73-75,80H,5-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b38-35-/t73?,74-,75-/m1/s1
HMDB42331	TG(14:0/18:1(11Z)/14:0)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-
HMDB48439	TG(16:1(9Z)/15:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,30,35,38,51H,4-19,21-22,24,27,29,31-34,36-37,39-50H2,1-3H3/b23-20-,26-25-,30-28-,38-35-
HMDB56501	CL(16:0/18:0/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C80H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h25,29,36,39,74-76,81H,5-24,26-28,30-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,39-36-/t74?,75-,76-/m1/s1
HMDB42332	TG(14:0/18:1(11Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-
HMDB48438	TG(16:1(9Z)/15:0/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,51H,4-19,21-22,24,27-50H2,1-3H3/b23-20-,26-25-
HMDB56506	CL(16:0/18:0/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26,30,69-71,76H,5-25,27-29,31-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-/t69?,70-,71-/m1/s1
HMDB42333	TG(14:0/18:1(11Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,48H,4-18,20-21,23-47H2,1-3H3/b22-19-
HMDB56507	CL(16:0/18:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27,31,71-73,78H,5-26,28-30,32-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-/t71?,72-,73-/m1/s1
HMDB44008	TG(16:0/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h26,28,62H,4-25,27,29-61H2,1-3H3/b28-26-
HMDB56504	CL(16:0/18:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB56505	CL(16:0/18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB53758	TG(20:3n6/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,39,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38,40-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-
HMDB44326	TG(16:0/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,22,25-26,28,53H,4-7,9-10,12,14-15,18-19,21,23-24,27,29-52H2,1-3H3/b11-8-,16-13-,20-17-,25-22-,28-26-
HMDB46428	TG(22:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,36,39,45,48,68H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-
HMDB46429	TG(22:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26,29,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,39-36-,48-45-,57-54-
HMDB11217	PC(P-16:0/20:2(11Z,14Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,36,39,43H,6-13,15,17-19,21,23-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,39-36-/t43-/m1/s1
HMDB11216	PC(P-16:0/20:1(11Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-/t43-/m1/s1
HMDB11215	PC(P-16:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-/t43-/m1/s1
HMDB11214	PC(P-16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H76NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,34,37,41H,6-7,9,11-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,37-34-/t41-/m1/s1
HMDB11213	PC(P-16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C42H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,34,37,41H,6-7,9,11-13,15,17-19,21,23-33,35-36,38-40H2,1-5H3/b10-8-,16-14-,22-20-,37-34-/t41-/m1/s1
HMDB11212	PC(P-16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC\C=C/OC[C@@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,34,37,41H,6-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b16-14-,22-20-,27-25-,37-34-/t41-/m0/s1
HMDB11211	PC(P-16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,34,37,41H,6-13,15,17-19,21,23-33,35-36,38-40H2,1-5H3/b16-14-,22-20-,37-34-/t41-/m1/s1
HMDB11210	PC(P-16:0/18:1(9Z))	CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,34,37,41H,6-19,21,23-33,35-36,38-40H2,1-5H3/b22-20-,37-34-/t41-/m1/s1
HMDB53837	TG(20:3n6/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-36,38-39,42,48,51,61H,4-15,18,22-23,27,31,33,37,40-41,43-47,49-50,52-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-,51-48-
HMDB11219	PC(P-16:0/20:3(8Z,11Z,14Z))	CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,36,39,43H,6-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,39-36-
HMDB11218	PC(P-16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,24-25,29,31,36,39,43H,6-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b22-20-,25-24-,31-29-,39-36-
HMDB53836	TG(20:3n6/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,32,34-36,38-39,42,61H,4-15,18,22-23,27,31,33,37,40-41,43-60H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-30-,38-36-,42-39-
HMDB46425	TG(22:0/24:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,44,47,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-43,45-46,48-63H2,1-3H3/b12-9-,21-18-,38-27-,47-44-
HMDB53831	TG(20:3n6/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-
HMDB53830	TG(20:3n6/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-
HMDB53833	TG(20:3n6/18:2(9Z,12Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-30,33-37,59H,4-15,18,22-23,27,31-32,38-58H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-30-,36-34-,37-35-
HMDB53832	TG(20:3n6/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,37,40,63H,4-16,18-19,21-24,27,30-36,38-39,41-62H2,1-3H3/b20-17-,28-25-,29-26-,40-37-
HMDB46421	TG(22:0/24:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,68H,4-16,18-19,21-25,27-28,30-67H2,1-3H3/b20-17-,29-26-
HMDB44320	TG(16:0/20:2n6/20:2n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h13-14,16-17,22-23,25-26,54H,4-12,15,18-21,24,27-53H2,1-3H3/b16-13-,17-14-,25-22-,26-23-
HMDB34645	13,28-Epoxy-3,16,22-oleananetriol; (3b,13b,16a,22a)-form, 22-Ac	CC(=O)OC1CC(C)(C)CC2C11COC22CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1O	InChI=1S/C32H52O5/c1-19(33)37-25-17-26(2,3)15-22-31(25)18-36-32(22)14-10-21-28(6)12-11-23(34)27(4,5)20(28)9-13-29(21,7)30(32,8)16-24(31)35/h20-25,34-35H,9-18H2,1-8H3
HMDB05089	12(S)-Leukotriene B4	CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1
HMDB05088	6-trans-12-epi-Leukotriene B4	CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19+/m0/s1
HMDB46422	TG(22:0/24:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,36,39,45,48,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-
HMDB59161	CL(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-72-76-80-93(98)106-86-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-51,55-58,60-63,67,70,74,89-91,96H,5-8,12,16-20,29-32,41-43,47,52-54,59,64-66,68-69,71-73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,55-51-,60-56-,61-57-,62-58-,67-63-,74-70-/t89?,90-,91-/m1/s1
HMDB34644	Priverogenin B	CC1(C)CC2C3(COC22CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C1	InChI=1S/C30H50O4/c1-24(2)14-20-29(22(32)15-24)17-34-30(20)13-9-19-26(5)11-10-21(31)25(3,4)18(26)8-12-27(19,6)28(30,7)16-23(29)33/h18-23,31-33H,8-17H2,1-7H3
HMDB05083	8-Isoprostaglandin F2a	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1
HMDB05082	Lipoxin B4	CCCCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1
HMDB05081	5-HEPE	CC\C=C/C\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(O)=O	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+
HMDB46423	TG(22:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,36,39,45,48,54,57,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-,57-54-
HMDB05087	6-trans-Leukotriene B4	CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19-/m1/s1
HMDB34647	3,12,13-Trihydroxy-28-oleananoic acid; (3b,12a,13b)-form, 28-&gt;13 Lactone, 3-Ac	CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C	InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3
HMDB05085	Leukotriene B4 dimethylamide	CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)N(C)C	InChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3/b10-9+,11-8-,16-12+,17-13-/t20-,21-/m1/s1
HMDB05084	N-Acetyl-leukotriene E4	CCCCC\C=C/C\C=C/C=C/C=C/[C@H](SC[C@@H](NC(C)=O)C(O)=O)[C@H](O)CCCC(O)=O	InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21-,22-,23+/m1/s1
HMDB34646	3beta-Acetoxy-12-oxo-28,13beta-oleananolide	CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(=O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C	InChI=1S/C32H48O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-22,24H,9-18H2,1-8H3
HMDB34641	Phytolaccoside D	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)
HMDB44323	TG(16:0/20:2n6/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,57H,4-13,15,18,20-22,24,28-56H2,1-3H3/b17-14-,19-16-,26-23-,27-25-
HMDB34640	Phytolaccinic acid	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C31H48O6/c1-26(25(36)37-6)13-15-31(24(34)35)16-14-29(4)19(20(31)17-26)7-8-22-27(2)11-10-23(33)28(3,18-32)21(27)9-12-30(22,29)5/h7,20-23,32-33H,8-18H2,1-6H3,(H,34,35)
HMDB34642	Phytolaccoside A	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	InChI=1S/C36H56O10/c1-31(30(43)44-6)13-15-36(29(41)42)16-14-34(4)20(21(36)17-31)7-8-24-32(2)11-10-25(46-28-27(40)26(39)22(38)18-45-28)33(3,19-37)23(32)9-12-35(24,34)5/h7,21-28,37-40H,8-19H2,1-6H3,(H,41,42)
HMDB49524	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,33,35,41,44,62H,4-15,18,22-23,27,30-32,34,36-40,42-43,45-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,44-41-
HMDB49525	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,40-41,43-44,62H,4-15,18,22-23,27,30-31,36-39,42,45-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-
HMDB44322	TG(16:0/20:2n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,33,39,42,55H,4-13,15,18,20-22,24,28-30,32,34-38,40-41,43-54H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,33-31-,42-39-
HMDB49526	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,40-41,43-44,49,52,62H,4-15,18,22-23,27,30-31,36-39,42,45-48,50-51,53-61H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,52-49-
HMDB49527	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37,40,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,38-39,41-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-
HMDB49520	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-
HMDB49521	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,31-32,38,41,59H,4-13,15,18,20,22,27,29-30,33-37,39-40,42-58H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,32-31-,41-38-
HMDB50948	TG(20:3(5Z,8Z,11Z)/20:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34-35,37-38,43-44,46-47,60H,4-15,17-18,20-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB50949	TG(20:3(5Z,8Z,11Z)/20:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,36,39,45,48,62H,4-15,17-18,20-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,39-36-,48-45-
HMDB53367	TG(20:2n6/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(55)58-51-52(59-54(56)48-45-42-39-36-32-21-18-15-12-9-6-3)50-57-49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,52H,4-12,14,17,19-21,23,25-51H2,1-3H3/b16-13-,18-15-,24-22-
HMDB53366	TG(20:2n6/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,29-30,34,37,42,45,55H,4-6,8-9,11-13,20-22,27-28,31-33,35-36,38-41,43-44,46-54H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,30-29-,37-34-,45-42-
HMDB53361	TG(20:2n6/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,13,15-18,20,22,24-25,27,51H,4-7,9-10,12,14,19,21,23,26,28-50H2,1-3H3/b11-8-,16-13-,18-15-,20-17-,24-22-,27-25-
HMDB49522	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,38-39,42,60H,4-15,18,22-23,27,30,32,34,36-37,40-41,43-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-
HMDB53363	TG(20:2n6/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,30,32,53H,4-6,8-9,11-13,20-22,27-29,31,33-52H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,32-30-
HMDB53362	TG(20:2n6/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,13,15-18,20,22,24-25,27,32,34,51H,4-7,9-10,12,14,19,21,23,26,28-31,33,35-50H2,1-3H3/b11-8-,16-13-,18-15-,20-17-,24-22-,27-25-,34-32-
HMDB50940	TG(20:3(5Z,8Z,11Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,28,32,34,40,43,57H,4-24,26-27,29-31,33,35-39,41-42,44-56H2,1-3H3/b28-25-,34-32-,43-40-
HMDB50941	TG(20:3(5Z,8Z,11Z)/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34-35,37-38,43-44,46-47,60H,4-24,27,30-33,36,39-42,45,48-59H2,1-3H3/b28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB50942	TG(20:3(5Z,8Z,11Z)/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,36,39,45,48,62H,4-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b28-25-,29-26-,39-36-,48-45-
HMDB49523	TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,18,22-23,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-
HMDB50944	TG(20:3(5Z,8Z,11Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,33-34,37,43,46,59H,4-20,22-23,26-27,29,31-32,35-36,38-42,44-45,47-58H2,1-3H3/b24-21-,28-25-,33-30-,37-34-,46-43-
HMDB50945	TG(20:3(5Z,8Z,11Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,32-33,36,38,41-42,45,58H,4-17,19-20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b21-18-,28-25-,32-27-,36-33-,41-38-,45-42-
HMDB50946	TG(20:3(5Z,8Z,11Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,34,37,43,46,59H,4-14,16-17,19-23,26,29-33,35-36,38-42,44-45,47-58H2,1-3H3/b18-15-,27-24-,28-25-,37-34-,46-43-
HMDB50947	TG(20:3(5Z,8Z,11Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34-35,37-38,44,47,60H,4-15,17-18,20-24,27,30-33,36,39-43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB49274	TG(18:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,30-31,36,39,45,48,58H,4-15,17-18,22,26-27,29,32-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,39-36-,48-45-
HMDB49275	TG(18:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,54H,4-6,8-9,11-15,17-18,22,26-27,29-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-
HMDB49276	TG(18:1(11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,34,37,54H,4-6,8-9,11-15,17-18,22,26-27,29-33,35-36,38-53H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,37-34-
HMDB49277	TG(18:1(11Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,32,34,56H,4-6,8-9,11-15,17-18,22,26-27,29-31,33,35-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,34-32-
HMDB49270	TG(18:1(11Z)/18:1(11Z)/20:3n6)	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,32,34,56H,4-15,17-18,22,26-27,29-31,33,35-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-32-
HMDB49271	TG(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,32,34,40,43,56H,4-15,17-18,22,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,34-32-,43-40-
HMDB49272	TG(18:1(11Z)/18:1(11Z)/22:2(13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,58H,4-15,17-18,22,26-27,29-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-
HMDB49273	TG(18:1(11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,30-31,36,39,58H,4-15,17-18,22,26-27,29,32-35,37-38,40-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,39-36-
HMDB49278	TG(18:1(11Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,32,34,40,43,56H,4-6,8-9,11-15,17-18,22,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,34-32-,43-40-
HMDB49279	TG(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19-21,23-25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,22,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,23-20-,24-21-,28-25-,31-30-,39-36-
HMDB51181	TG(20:3(5Z,8Z,11Z)/20:2n6/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-29,34-37,43,46,59H,4-14,17,20-23,30-33,38-42,44-45,47-58H2,1-3H3/b18-15-,19-16-,27-24-,28-25-,29-26-,36-34-,37-35-,46-43-
HMDB51827	TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,32-33,38,40-41,43,58H,4-7,10,13-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-
HMDB49850	TG(18:1(9Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-29,31,36,39,52H,4-14,17,20-23,27,30,32-35,37-38,40-51H2,1-3H3/b18-15-,19-16-,26-24-,28-25-,31-29-,39-36-
HMDB06061	4-Hydroxyphenylacetylglutamine	OC(=O)CCC(NC(=O)CC1=CC=C(O)C=C1)C(O)=O	InChI=1S/C13H15NO6/c15-9-3-1-8(2-4-9)7-11(16)14-10(13(19)20)5-6-12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)(H,19,20)
HMDB49852	TG(18:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,33,36,54H,4-14,17,20-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,36-33-
HMDB49853	TG(18:1(9Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-26,28-30,33,36,41,44,54H,4-14,17,20-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,26-24-,29-28-,30-25-,36-33-,44-41-
HMDB49854	TG(18:1(9Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,50H,4-6,8-9,11-14,17,20-23,28-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-
HMDB49855	TG(18:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-27,31,33,50H,4-6,8-9,11-14,17,20-23,28-30,32,34-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,33-31-
HMDB49856	TG(18:1(9Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,52H,4-6,8-9,11-14,17,20-23,27,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-
HMDB49857	TG(18:1(9Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,36,39,52H,4-6,8-9,11-14,17,20-23,27,30,32-35,37-38,40-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-,39-36-
HMDB49858	TG(18:1(9Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,33,36,54H,4-6,8-9,11-14,17,20-23,27,31-32,34-35,37-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,36-33-
HMDB49859	TG(18:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-30,33,36,41,44,54H,4-6,8-9,11-14,17,20-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,29-28-,30-25-,36-33-,44-41-
HMDB30014	(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol	CCC(CCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3
HMDB30015	7-Oxostigmasterol	CCC(\C=C/C(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O)C(C)C	InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-25,27,30H,7,10-16H2,1-6H3/b9-8-
HMDB30016	Valerenic acid	CC1CCC(\C=C(/C)C(O)=O)C2=C(C)CCC12	InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+
HMDB30017	Vitamin K2	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O	InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+
HMDB30010	Glucoconvallatoxoloside	CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C41H64O20/c1-17-33(60-37-32(52)29(49)34(24(14-43)59-37)61-36-30(50)27(47)26(46)23(13-42)58-36)28(48)31(51)35(56-17)57-19-3-8-39(16-44)21-4-7-38(2)20(18-11-25(45)55-15-18)6-10-41(38,54)22(21)5-9-40(39,53)12-19/h11,17,19-24,26-37,42-44,46-54H,3-10,12-16H2,1-2H3
HMDB30011	(1alpha,3beta,20S,22R,24S,25S)-Pubescenin	CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC2(C)OC2(C)C(=O)O1	InChI=1S/C34H52O10/c1-16(23-14-32(3)34(5,44-32)30(40)43-23)20-8-9-21-19-7-6-17-12-18(41-29-28(39)27(38)26(37)24(15-35)42-29)13-25(36)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-29,35-39H,7-15H2,1-5H3
HMDB30012	Scutigeral	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(C)C(C=O)=C(O)C(O)=C1O	InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)20(14-24)22(26)23(27)21(19)25/h8,10,12,14,25-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
HMDB30013	(3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol	CCC(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)=C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20-23,25-27,30H,2,7-10,12-18H2,1,3-6H3
HMDB30018	Elenolide	COC(=O)C1=COC(=O)CC1\C(=C\C)C=O	InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3+
HMDB30019	4'-Methoxymucidin	CO\C=C(\C(\C)=C\C=C/C1=CC=C(OC)C=C1)/C(=O)OC	InChI=1S/C17H20O4/c1-13(16(12-19-2)17(18)21-4)6-5-7-14-8-10-15(20-3)11-9-14/h5-12H,1-4H3/b7-5-,13-6+,16-12-
HMDB48722	TG(16:1(9Z)/24:1(15Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,58H,4-19,22,26,28-57H2,1-3H3/b23-20-,24-21-,27-25-
HMDB44004	TG(16:0/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h20,23,58H,4-19,21-22,24-57H2,1-3H3/b23-20-
HMDB56450	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-26,30,33,35,38,41,48,52,73-75,80H,5-20,22-24,27-29,31-32,34,36-37,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,35-33-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB56451	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25,33-35,37-38,41,48,52,73-75,80H,5-20,22-24,26-32,36,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,41-38-,52-48-/t73?,74-,75-/m1/s1
HMDB56452	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C80H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-42-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-38-36-34-30-26-22-18-14-10-6-2)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3/h21,25-26,30,33,35-36,38-39,42,49,53,74-76,81H,5-20,22-24,27-29,31-32,34,37,40-41,43-48,50-52,54-73H2,1-4H3,(H,86,87)(H,88,89)/b25-21-,30-26-,35-33-,38-36-,42-39-,53-49-/t74?,75-,76-/m1/s1
HMDB56453	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21-22,25-26,33-36,39-40,43-44,50,52,54,56,75-77,82H,5-20,23-24,27-32,37-38,41-42,45-49,51,53,55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,35-33-,36-34-,43-39-,44-40-,54-50-,56-52-/t75?,76-,77-/m1/s1
HMDB56454	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h21-22,25-26,33-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1
HMDB56455	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,52,56,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-/t77?,78-,79-/m1/s1
HMDB56456	CL(16:0/16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,52,56,58,62,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-,62-58-/t77?,78-,79-/m1/s1
HMDB56457	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,26-32,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB44005	TG(16:0/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h26,33,58H,4-25,27-32,34-57H2,1-3H3/b33-26-
HMDB56459	CL(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25,28,32-34,36-37,42,44,52,56,73-75,80H,5-20,22-24,26-27,29-31,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,32-28-,34-33-,37-36-,44-42-,56-52-/t73?,74-,75-/m1/s1
HMDB03153	Epigallocatechin gallate	OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
HMDB03152	N-Methylnicotinamide	CNC(=O)C1=CN=CC=C1	InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
HMDB03157	Guanidinosuccinic acid	NC(=N)N[C@@H](CC(O)=O)C(O)=O	InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1
HMDB03156	2,3-Butanediol	CC(O)C(C)O	InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
HMDB03154	Canthaxanthin	C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C	InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
HMDB49991	TG(18:1(9Z)/24:1(15Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,38,64H,4-16,18-19,21-24,30-37,39-63H2,1-3H3/b20-17-,28-25-,29-26-,38-27-
HMDB05879	Dimethyldisulfide	CSSC	InChI=1S/C2H6S2/c1-3-4-2/h1-2H3
HMDB05876	3-deoxyfructose	[H]OC([H])([H])C(=O)C([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]	InChI=1S/C6H12O5/c7-2-4(9)1-5(10)6(11)3-8/h5-8,10-11H,1-3H2/t5-,6+/m0/s1
HMDB05874	3-Bromotyrosine	NC(CC1=CC=C(O)C(Br)=C1)C(O)=O	InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)
HMDB33099	Kanzonol Z	CC(C)=CCC1=CC(=CC=C1O)C1OC2=C(C=CC3=C2C=CC(C)(C)O3)C(=O)C1O	InChI=1S/C25H26O5/c1-14(2)5-6-15-13-16(7-9-19(15)26)23-22(28)21(27)18-8-10-20-17(24(18)29-23)11-12-25(3,4)30-20/h5,7-13,22-23,26,28H,6H2,1-4H3
HMDB33098	5,7-Dihydroxy-6-methoxyflavone; 5-O-a-L-Rhamnopyranoside	COC1=C(OC2OC(C)C(O)C(O)C2O)C2=C(OC(=CC2=O)C2=CC=CC=C2)C=C1O	InChI=1S/C22H22O9/c1-10-17(25)18(26)19(27)22(29-10)31-21-16-12(23)8-14(11-6-4-3-5-7-11)30-15(16)9-13(24)20(21)28-2/h3-10,17-19,22,24-27H,1-2H3
HMDB33095	Lepidine E	OC1=C(OC2=CC=CC(CC3=NC=CN3)=C2)C=C(CC2=NC=CN2)C=C1	InChI=1S/C20H18N4O2/c25-17-5-4-15(13-20-23-8-9-24-20)11-18(17)26-16-3-1-2-14(10-16)12-19-21-6-7-22-19/h1-11,25H,12-13H2,(H,21,22)(H,23,24)
HMDB33094	Lepidine F	OC1=CC=C(C(CC2=NC=CN2)=C1)C1=C(O)C=CC(CC2=NC=CN2)=C1	InChI=1S/C20H18N4O2/c25-15-2-3-16(14(11-15)12-20-23-7-8-24-20)17-9-13(1-4-18(17)26)10-19-21-5-6-22-19/h1-9,11,25-26H,10,12H2,(H,21,22)(H,23,24)
HMDB33097	7-Formyldehydrothalicsimidine	COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C3=C1C(N(C)CC3)=C2C=O	InChI=1S/C23H25NO6/c1-24-8-7-12-18-19(22(29-5)23(30-6)21(12)28-4)14-10-17(27-3)16(26-2)9-13(14)15(11-25)20(18)24/h9-11H,7-8H2,1-6H3
HMDB33096	Apional	COC1=C2OCOC2=C(OC)C(\C=C\C=O)=C1	InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10(15-2)12-11(9)16-7-17-12/h3-6H,7H2,1-2H3/b4-3+
HMDB33091	(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid	C\C=C(/C=O)C(CC(O)=O)CC(O)=O	InChI=1S/C9H12O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,5,7H,3-4H2,1H3,(H,11,12)(H,13,14)/b6-2+
HMDB33090	[6]-Dehydroshogaol	CCCCC\C=C\C(=O)\C=C/C1=CC=C(O)C(OC)=C1	InChI=1S/C17H22O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-13,19H,3-6H2,1-2H3/b8-7+,11-9-
HMDB33093	3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol	COC1=C(O)C=CC(CC(O)CO)=C1	InChI=1S/C10H14O4/c1-14-10-5-7(2-3-9(10)13)4-8(12)6-11/h2-3,5,8,11-13H,4,6H2,1H3
HMDB33092	3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid	C\C=C(/CO)C(CC(O)=O)CC(O)=O	InChI=1S/C9H14O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,7,10H,3-5H2,1H3,(H,11,12)(H,13,14)/b6-2+
HMDB31828	Fumonisin FP3	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCCCC(O)C(C)[N+]1=CC=CC(O)=C1)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C39H61NO15/c1-5-6-12-25(3)37(55-36(49)22-28(39(52)53)20-34(46)47)32(54-35(48)21-27(38(50)51)19-33(44)45)18-24(2)17-29(41)13-9-7-8-10-15-31(43)26(4)40-16-11-14-30(42)23-40/h11,14,16,23-29,31-32,37,41,43H,5-10,12-13,15,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1
HMDB31829	Bisosthenon B	COC1=CC=C2C=CC(=O)OC2=C1C1C(C(C1C1=C(OC)C=CC2=C1OC(=O)C=C2)C(C)=O)C(C)=O	InChI=1S/C28H24O8/c1-13(29)21-22(14(2)30)26(24-18(34-4)10-6-16-8-12-20(32)36-28(16)24)25(21)23-17(33-3)9-5-15-7-11-19(31)35-27(15)23/h5-12,21-22,25-26H,1-4H3
HMDB31826	Fumonisin FP1	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)[N+]1=CC=CC(O)=C1)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C39H61NO16/c1-5-6-10-24(3)37(56-36(50)20-27(39(53)54)18-34(47)48)32(55-35(49)19-26(38(51)52)17-33(45)46)16-23(2)15-28(41)11-7-8-12-29(42)21-31(44)25(4)40-14-9-13-30(43)22-40/h9,13-14,22-29,31-32,37,41-42,44H,5-8,10-12,15-21H2,1-4H3,(H4-,43,45,46,47,48,51,52,53,54)/p+1
HMDB31827	Fumonisin FP2	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)[N+]1=CC=CC(O)=C1)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1S/C39H61NO15/c1-5-6-13-25(3)37(55-36(49)21-28(39(52)53)19-34(46)47)32(54-35(48)20-27(38(50)51)18-33(44)45)17-24(2)12-9-7-8-10-14-29(41)22-31(43)26(4)40-16-11-15-30(42)23-40/h11,15-16,23-29,31-32,37,41,43H,5-10,12-14,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1
HMDB31824	4',5,8-Trihydroxyflavanone	OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C(O)=CC=C2O	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)14-10(17)5-6-11(18)15(14)20-13/h1-6,13,16-18H,7H2
HMDB31825	Phenyl vinyl sulfide	C=CSC1=CC=CC=C1	InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
HMDB31822	Nitarsone	O[As](O)(=O)C1=CC=C(C=C1)N(=O)=O	InChI=1S/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)
HMDB31823	Diphenyl disulfide	S(SC1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
HMDB31820	Neotussilagine	COC(=O)C1C2CCCN2CC1(C)O	InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3
HMDB31821	1,2-Diphenylcyclobutane	C1CC(C1C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
HMDB50126	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-29,31-34,38,41,59H,4-15,17-18,21-22,24,26,30,35-37,39-40,42-58H2,1-3H3/b19-16-,23-20-,28-25-,32-31-,33-27-,34-29-,41-38-
HMDB50127	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-33,37-38,40-41,58H,4-15,18,21-24,29,34-36,39,42-57H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,40-37-,41-38-
HMDB50124	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,33,35-36,41,44,62H,4-16,18-19,21-24,30-32,34,37-40,42-43,45-61H2,1-3H3/b20-17-,28-25-,29-26-,35-33-,36-27-,44-41-
HMDB48403	TG(14:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,37,40,53H,4-14,17,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,40-37-
HMDB50122	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,39,42,60H,4-15,17-18,20-24,30,32,35-38,40-41,43-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,42-39-
HMDB50123	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-35,38-39,42,44,47,60H,4-15,17-18,20-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-
HMDB50120	TG(18:1(9Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,33,59H,4-15,17-18,20-24,26,29-32,34-58H2,1-3H3/b19-16-,28-25-,33-27-
HMDB50121	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25-28,30-33,37,40,58H,4-15,17-18,20-24,29,34-36,38-39,41-57H2,1-3H3/b19-16-,28-25-,31-30-,32-26-,33-27-,40-37-
HMDB50128	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-28,31-33,38,41,59H,4-13,15,18,20-22,24,29-30,34-37,39-40,42-58H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,32-31-,33-27-,41-38-
HMDB50129	TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,38-39,42,60H,4-15,18,21-24,30,32,36-37,40-41,43-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-
HMDB08897	PE(15:0/18:3(9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36H,3-4,6,8-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-/t36-/m1/s1
HMDB08896	PE(15:0/18:3(6Z,9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,36H,3-10,12,14-16,19-20,22,24-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-,23-21-/t36-/m1/s1
HMDB08895	PE(15:0/18:2(9Z,12Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C38H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,36H,3-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-/t36-/m1/s1
HMDB08894	PE(15:0/18:1(9Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,36H,3-16,19-35,39H2,1-2H3,(H,42,43)/b18-17-/t36-/m1/s1
HMDB03841	5-Amino-6-(5'-phosphoribitylamino)uracil	NC1=C(NCC(O)C(O)C(O)COP(O)(O)=O)NC(=O)NC1=O	InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18)
HMDB03840	Phosphoroselenoic acid	OP(O)(O)=[Se]	InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)
HMDB03843	Gamma-Caprolactone	CCC1CCC(=O)O1	InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
HMDB08890	PE(15:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C36H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-33,37H2,1-2H3,(H,40,41)/t34-/m1/s1
HMDB03848	D-Myo-inositol 3,4,5,6-tetrakisphosphate	O[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O	InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1
HMDB08899	PE(15:0/20:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
HMDB08898	PE(15:0/18:4(6Z,9Z,12Z,15Z))	[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C38H68NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,36H,3-4,6,8-10,12,14-16,19-20,22,24-35,39H2,1-2H3,(H,42,43)/b7-5-,13-11-,18-17-,23-21-/t36-/m1/s1
HMDB48405	TG(14:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29-30,33,36,55H,4-14,17,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b18-15-,19-16-,26-24-,30-29-,36-33-
HMDB37626	1-Ethylhexyl tiglate	CCCCCC(CC)OC(=O)C(\C)=C/C	InChI=1S/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3/b11-6-
HMDB37627	Benzyl tiglate	C\C=C(\C)C(=O)OCC1=CC=CC=C1	InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3-
HMDB37624	Isopropyl tiglate	C\C=C(\C)C(=O)OC(C)C	InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5-
HMDB29994	25-Methyl-1-hexacosanol	CC(C)CCCCCCCCCCCCCCCCCCCCCCCCO	InChI=1S/C27H56O/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28/h27-28H,3-26H2,1-2H3
HMDB32328	Hexyl nonanoate	CCCCCCCCC(=O)OCCCCCC	InChI=1S/C15H30O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-14H2,1-2H3
HMDB32329	2-Hexylthiophene	CCCCCCC1=CC=CS1	InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
HMDB32324	Hexyl decanoate	CCCCCCCCCC(=O)OCCCCCC	InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3
HMDB32325	2-Hexyl-4,5-dimethyl-1,3-dioxolane	CCCCCCC1OC(C)C(C)O1	InChI=1S/C11H22O2/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h9-11H,4-8H2,1-3H3
HMDB32326	Hexyl heptanoate	COC1=CC=C(O[C@H]2C=C[C@H](O[C@@H]2CON=C2[C@H]3O[C@H]3[C@@H](O)[C@H]3[C@@H]2CCN2N3C(=O)N(C2=O)C2=CC=CC=C2)C2=CC=CC=C2)C=C1	InChI=1S/C35H34N4O8/c1-43-23-12-14-24(15-13-23)45-27-17-16-26(21-8-4-2-5-9-21)46-28(27)20-44-36-29-25-18-19-37-34(41)38(22-10-6-3-7-11-22)35(42)39(37)30(25)31(40)33-32(29)47-33/h2-17,25-28,30-33,40H,18-20H2,1H3/b36-29-/t25-,26+,27+,28-,30-,31+,32-,33+/m1/s1
HMDB32327	Hexyl 3-mercaptobutanoate	CCCCCCOC(=O)CC(C)S	InChI=1S/C10H20O2S/c1-3-4-5-6-7-12-10(11)8-9(2)13/h9,13H,3-8H2,1-2H3
HMDB32320	3-Hexenyl 2-methylbutyrate	CCC=CCCOC(=O)C(C)CC	InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
HMDB32321	2-Hexenyl octanoate	CCCCCCCC(=O)OC\C=C\CCC	InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,11H,3-7,9-10,12-13H2,1-2H3/b11-8+
HMDB32322	cis-3 and trans-2-Hexenyl propionate	O[C@H]1[C@@H](O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C=C1	InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H/t13-,14-,15+/m0/s1
HMDB37623	1-Methyl-1-phenylethyl isobutyrate	CC(C)C(=O)OC(C)(C)C1=CC=CC=C1	InChI=1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
HMDB57479	CL(16:1(9Z)/16:1(9Z)/16:1(9Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C75H138O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25-32,69-71,76H,5-24,33-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,30-26-,31-27-,32-28-/t69?,70-,71-/m1/s1
HMDB57478	CL(16:1(9Z)/16:1(9Z)/16:1(9Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C73H134O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,67-69,74H,5-24,33-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,30-26-,31-27-,32-28-/t68-,69-/m1/s1
HMDB37620	Ethyl 4-(methylthio)butyrate	CCOC(=O)CCCSC	InChI=1S/C7H14O2S/c1-3-9-7(8)5-4-6-10-2/h3-6H2,1-2H3
HMDB57471	CL(16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,44,48,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-43,45-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-44-/t77?,78-,79-/m1/s1
HMDB57470	CL(16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB57473	CL(16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB37621	4-Methyl-4-(methylthio)-2-pentanone	CSC(C)(C)CC(C)=O	InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
HMDB57475	CL(16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-33,36,38-39,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57474	CL(16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB57477	CL(16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27,29-31,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57476	CL(16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB40185	3-Mercapto-2-butanol	CC(O)C(C)S	InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3
HMDB40184	Methanedithiol	SCS	InChI=1S/CH4S2/c2-1-3/h2-3H,1H2
HMDB40187	1,1-Dibromo-1-chloro-2-propanone	CC(=O)C(Cl)(Br)Br	InChI=1S/C3H3Br2ClO/c1-2(7)3(4,5)6/h1H3
HMDB40186	3-(Methylthio)hexanal	CCCC(CC=O)SC	InChI=1S/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3
HMDB40181	Fagopyritol A2	OCC1OC(OCC2OC(OC3C(O)C(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-3-5(20)7(22)14(29)17(32-3)31-2-4-6(21)8(23)15(30)18(33-4)34-16-12(27)10(25)9(24)11(26)13(16)28/h3-30H,1-2H2
HMDB40180	Pentadecylbenzene	CCCCCCCCCCCCCCCC1=CC=CC=C1	InChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3
HMDB40183	Quinine bisulfate	O.O.O.O.O.O.O.OS(O)(=O)=O.OS(O)(=O)=O.COC1=CC=C2N=CC=C([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)C2=C1	InChI=1S/C20H24N2O2.2H2O4S.7H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*1-5(2,3)4;;;;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H2,1,2,3,4);7*1H2/t13-,14-,19-,20+;;;;;;;;;/m0........./s1
HMDB40182	Fagopyritol A3	OCC1OC(OCC2OC(OCC3OC(OC4C(O)C(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C24H42O21/c25-1-4-7(26)10(29)18(37)22(42-4)40-2-5-8(27)11(30)19(38)23(43-5)41-3-6-9(28)12(31)20(39)24(44-6)45-21-16(35)14(33)13(32)15(34)17(21)36/h4-39H,1-3H2
HMDB40189	1,1-Dibromo-3-iodo-2-propanone	BrC(Br)C(=O)CI	InChI=1S/C3H3Br2IO/c4-3(5)2(7)1-6/h3H,1H2
HMDB40188	1,1-Dibromo-2-propanone	CC(=O)C(Br)Br	InChI=1S/C3H4Br2O/c1-2(6)3(4)5/h3H,1H3
HMDB45359	TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,42,45,58H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-41,43-44,46-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-
HMDB45358	TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,33-34,36-37,58H,4-7,9-10,12-15,18,21-24,27,30-32,35,38-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-
HMDB09766	PE(24:1(15Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17-20,49H,3-16,21-48,52H2,1-2H3,(H,55,56)/b19-17-,20-18-/t49-/m1/s1
HMDB09767	PE(24:1(15Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C51H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,49H,3-11,13,15-16,21-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-/t49-/m1/s1
HMDB09764	PE(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,34,36,47H,3-5,7,9-11,13,15-16,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,30-28-,36-34-/t47-/m1/s1
HMDB09765	PE(24:1(15Z)/22:0)	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C51H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,49H,3-16,18,20-48,52H2,1-2H3,(H,55,56)/b19-17-/t49-/m1/s1
HMDB09762	PE(24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,28,30,34,36,47H,3-11,13,15-16,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,30-28-,36-34-/t47-/m1/s1
HMDB29999	Cycloartomunoxanthone	COC1=C2OC(C)(C)C3CC4=C(OC5=C(C(O)=CC6=C5C=CC(C)(C)O6)C4=O)C(=C23)C(O)=C1	InChI=1S/C26H24O7/c1-25(2)7-6-11-16(32-25)9-15(28)20-21(29)12-8-13-18-19(23(12)31-22(11)20)14(27)10-17(30-5)24(18)33-26(13,3)4/h6-7,9-10,13,27-28H,8H2,1-5H3
HMDB09760	PE(24:1(15Z)/20:3(5Z,8Z,11Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17-20,28,30,34,36,47H,3-16,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b19-17-,20-18-,30-28-,36-34-/t47-/m1/s1
HMDB09761	PE(24:1(15Z)/20:3(8Z,11Z,14Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,28,30,47H,3-11,13,15-16,21-27,29,31-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,30-28-/t47-/m1/s1
HMDB29998	12-Hydroxy-8,10-octadecadienoic acid	CCCCCCC(O)\C=C\C=C\CCCCCCC(O)=O	InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+
HMDB09768	PE(24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,32,34,49H,3-11,13,15-16,21-24,26-27,29-31,33,35-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,28-25-,34-32-/t49-/m1/s1
HMDB09769	PE(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,32,34,38,40,49H,3-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t49-/m1/s1
HMDB40459	Ethylene brassylate	O=C1CCCCCCCCCCCC(=O)OCCO1	InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
HMDB40458	1,2,4-Tris(methylene)cyclohexane	C=C1CCC(=C)C(=C)C1	InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h1-6H2
HMDB40453	Theaflavonin	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C2OC3=C(CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)C(O)C1O	InChI=1S/C43H36O24/c44-10-26-33(56)37(60)38(61)43(66-26)67-41-36(59)29-18(48)4-13(46)6-24(29)64-40(41)16-8-22(52)32(55)35(58)28(16)27-15(7-21(51)31(54)34(27)57)39-25(9-14-17(47)3-12(45)5-23(14)63-39)65-42(62)11-1-19(49)30(53)20(50)2-11/h1-8,25-26,33,37-39,43-58,60-61H,9-10H2
HMDB40452	1,2,3-Trithiane	C1CSSSC1	InChI=1S/C3H6S3/c1-2-4-6-5-3-1/h1-3H2
HMDB40451	Oxacyclotetradecan-2-one	O=C1CCCCCCCCCCCCO1	InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2
HMDB40450	2,3,4,5,6-Pentachlorobenzyl alcohol	OCC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl	InChI=1S/C7H3Cl5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
HMDB40457	3-Bromosulfolane	BrC1CCS(=O)(=O)C1	InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2
HMDB40456	Ganoderic acid Z	CC(CC\C=C(\C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3	InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24-25,31H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-
HMDB40455	Lucidadiol	CC(CC\C=C(/C)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+
HMDB40454	Lucidal	CC(CC\C=C(/C)C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9+
HMDB48668	TG(16:1(9Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,36,39,58H,4-15,17-18,20,22-23,29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,39-36-
HMDB48669	TG(16:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32,36,39,45,48,58H,4-15,17-18,20,22-23,29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,39-36-,48-45-
HMDB48664	TG(16:1(9Z)/20:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,55H,4-13,15-16,18-20,22,28-54H2,1-3H3/b17-14-,24-21-,26-23-,27-25-
HMDB48665	TG(16:1(9Z)/20:1(11Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,56H,4-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-
HMDB48667	TG(16:1(9Z)/20:1(11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,58H,4-15,17-18,20,22-23,29-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-
HMDB48660	TG(16:1(9Z)/20:1(11Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,58H,4-20,22-23,29-57H2,1-3H3/b24-21-,27-25-,28-26-
HMDB48661	TG(16:1(9Z)/20:1(11Z)/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-
HMDB48662	TG(16:1(9Z)/20:1(11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27-28,30,55H,4-19,22,26,29,31-54H2,1-3H3/b23-20-,24-21-,27-25-,30-28-
HMDB48663	TG(16:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,35,38,54H,4-16,18-19,22-23,28,30-34,36-37,39-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,38-35-
HMDB43193	TG(15:0/16:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,47H,4-19,21-22,24-46H2,1-3H3/b23-20-
HMDB43192	TG(15:0/16:1(9Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-
HMDB43191	TG(15:0/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C50H96O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(55-50(52)44-41-38-35-32-28-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-31-29-23-20-17-14-11-8-5-2/h15,18,48H,4-14,16-17,19-47H2,1-3H3/b18-15-
HMDB43190	TG(15:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-28,30,33,38,41,51H,4-6,8-9,11-14,17,20-23,26,29,31-32,34-37,39-40,42-50H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,28-27-,33-30-,41-38-
HMDB43197	TG(15:0/16:1(9Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-23-20-17-14-11-8-5-2/h20,23,55H,4-19,21-22,24-54H2,1-3H3/b23-20-
HMDB43196	TG(15:0/16:1(9Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-
HMDB43195	TG(15:0/16:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-
HMDB43194	TG(15:0/16:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-
HMDB49137	TG(18:1(11Z)/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h20,23,25,28,56H,4-19,21-22,24,26-27,29-55H2,1-3H3/b23-20-,28-25-
HMDB43199	TG(15:0/16:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C50H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,47H,4-18,21,24-46H2,1-3H3/b22-19-,23-20-
HMDB43198	TG(15:0/16:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C48H88O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18-19,22,45H,4-14,16-17,20-21,23-44H2,1-3H3/b18-15-,22-19-
HMDB49133	TG(18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,35,37,43,46,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-35-,46-43-
HMDB49132	TG(18:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,35,37,56H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-34,36,38-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-35-
HMDB49131	TG(18:1(11Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,33,38,41,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,33-30-,41-38-
HMDB49130	TG(18:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,30,33,54H,4-6,8-9,11-15,17-18,21-22,24,26,28-29,31-32,34-53H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,33-30-
HMDB47863	TG(14:1(9Z)/24:0/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h15,18,20,23,54H,4-14,16-17,19,21-22,24-53H2,1-3H3/b18-15-,23-20-
HMDB47862	TG(14:1(9Z)/24:0/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h14-15,17-18,52H,4-13,16,19-51H2,1-3H3/b17-14-,18-15-
HMDB47861	TG(14:1(9Z)/22:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,55H,4-14,16-17,19-54H2,1-3H3/b18-15-
HMDB47860	TG(14:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,30,32,36,39,45,48,58H,4-6,8-9,11-14,17,20-23,25,27-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,32-30-,39-36-,48-45-
HMDB47867	TG(14:1(9Z)/24:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,34,36,42,45,58H,4-14,16-17,19-24,26,28-33,35,37-41,43-44,46-57H2,1-3H3/b18-15-,27-25-,36-34-,45-42-
HMDB47866	TG(14:1(9Z)/24:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,58H,4-14,16-17,19-24,26,28-57H2,1-3H3/b18-15-,27-25-
HMDB47865	TG(14:1(9Z)/24:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,25,32,56H,4-14,16-17,19-24,26-31,33-55H2,1-3H3/b18-15-,32-25-
HMDB47864	TG(14:1(9Z)/24:0/18:1(11Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h15,18,20,23,56H,4-14,16-17,19,21-22,24-55H2,1-3H3/b18-15-,23-20-
HMDB47869	TG(14:1(9Z)/24:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,62H,4-14,16-17,19-23,25,27-61H2,1-3H3/b18-15-,26-24-
HMDB47868	TG(14:1(9Z)/24:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,60H,4-14,16-17,19-24,26,28-59H2,1-3H3/b18-15-,27-25-
HMDB49380	TG(18:1(11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,34,60H,4-7,9-10,12-16,18-19,22-23,27,29-33,35-59H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,34-26-
HMDB35679	1-Hydroxy-1-phenyl-3-octadecanone	CCCCCCCCCCCCCCCC(=O)CC(O)C1=CC=CC=C1	InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19,24,26H,2-13,17,20-21H2,1H3
HMDB35678	3-Hydroxy-1-phenyl-1-heptadecanone	CCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1	InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18,22,24H,2-12,16,19-20H2,1H3
HMDB35677	3-Hydroxy-1-phenyl-1-hexadecanone	CCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1	InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17,21,23H,2-11,15,18-19H2,1H3
HMDB35676	1-Hydroxy-1-phenyl-3-hexadecanone	CCCCCCCCCCCCCC(=O)CC(O)C1=CC=CC=C1	InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17,22,24H,2-11,15,18-19H2,1H3
HMDB35675	6-Hydroxy-4-nonadecanone	CCCCCCCCCCCCCC(O)CC(=O)CCC	InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h19,21H,3-17H2,1-2H3
HMDB35674	4-Hydroxy-6-nonadecanone	CCCCCCCCCCCCCC(=O)CC(O)CCC	InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h18,20H,3-17H2,1-2H3
HMDB35673	4-Hydroxy-6-eicosanone	CCCCCCCCCCCCCCC(=O)CC(O)CCC	InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-4-2/h19,21H,3-18H2,1-2H3
HMDB35672	5-Hydroxy-7-eicosanone	CCCCCCCCCCCCCC(=O)CC(O)CCCC	InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h19,21H,3-18H2,1-2H3
HMDB35671	6-Hydroxy-4-heneicosanone	CCCCCCCCCCCCCCCC(O)CC(=O)CCC	InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-20(22)17-4-2/h21,23H,3-19H2,1-2H3
HMDB35670	4-Hydroxy-6-heneicosanone	CCCCCCCCCCCCCCCC(=O)CC(O)CCC	InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-20(22)17-4-2/h20,22H,3-19H2,1-2H3
HMDB49383	TG(18:1(11Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,37,40,46,49,62H,4-7,9-10,12-16,18-19,22-23,27,30-36,38-39,41-45,47-48,50-61H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,40-37-,49-46-
HMDB49384	TG(18:1(11Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,42,45,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,45-42-
HMDB06995	CDP-DG(18:1(9Z)/16:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-41(50)59-35-38(62-42(51)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h17-18,33-34,38-39,43-45,52-53H,3-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b18-17-/t38-,39-,43+,44?,45-/m1/s1
HMDB49386	TG(18:1(11Z)/24:1(15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h21,24-25,28,61H,4-20,22-23,26-27,29-60H2,1-3H3/b24-21-,28-25-
HMDB06997	CDP-DG(18:1(9Z)/18:1(11Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h14,16-17,19,35-36,40-41,45-47,54-55H,3-13,15,18,20-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b16-14-,19-17-/t40-,41-,45+,46?,47-/m1/s1
HMDB49388	TG(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h19-20,22-23,27-28,30-31,55H,4-18,21,24-26,29,32-54H2,1-3H3/b22-19-,23-20-,30-27-,31-28-
HMDB49389	TG(18:1(11Z)/18:2(9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,32,57H,4-19,22,26-27,30-31,33-56H2,1-3H3/b23-20-,24-21-,28-25-,32-29-
HMDB02009	Crotonoyl-CoA	C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20?,24-/m1/s1
HMDB02003	Tetracosanoic acid	CCCCCCCCCCCCCCCCCCCCCCCC(O)=O	InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
HMDB02000	Myristoleic acid	CCCC\C=C/CCCCCCCC(O)=O	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
HMDB02001	Dimethylmalonic acid	CC(C)(C(O)=O)C(O)=O	InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
HMDB02006	2,3-Diaminopropionic acid	NC[C@H](N)C(O)=O	InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
HMDB02007	Tetracosahexaenoic acid	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O	InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
HMDB02004	5-Methoxydimethyltryptamine	COC1=CC2=C(NC=C2CCN(C)C)C=C1	InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
HMDB02005	Methionine sulfoxide	CS(=O)CCC(N)C(O)=O	InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
HMDB33536	Honyucitrin	CC(C)=CCC1=CC(=CC(CC=C(C)C)=C1O)C1=CC(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C25H26O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-13,26-27,29H,7-8H2,1-4H3
HMDB33537	Fragransol A	COC(C(C)O)C1=CC(OC)=C2OC(C(C)C2=C1)C1=CC=C(O)C(OC)=C1	InChI=1S/C21H26O6/c1-11-15-8-14(20(26-5)12(2)22)10-18(25-4)21(15)27-19(11)13-6-7-16(23)17(9-13)24-3/h6-12,19-20,22-23H,1-5H3
HMDB33534	Fragransin C1	COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(O)C(OC)=C1	InChI=1S/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3
HMDB33535	Honyudisin	CC(C)=CCC1=C(O)C2=C(OC(=O)C=C2)C2=C1OC(C)(C)C=C2	InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3
HMDB33532	Dimethicone	C[Si](C)(C)O[Si](C)(C)C	InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
HMDB33533	Ceftiofur	CO\N=C(/C(=O)NC1C2SCC(CSC(=O)C3=CC=CO3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1	InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-
HMDB33530	(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide	CCC\C=C\C=C/C=C/C(=O)N1CCCC=C1	InChI=1S/C15H21NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h4-7,9-10,12-13H,2-3,8,11,14H2,1H3/b5-4+,7-6-,12-9+
HMDB33531	2,4,6,8-Decatetraenoic acid dehydropiperidide	C\C=C\C=C\C=C/C=C/C(=O)N1CCCC=C1	InChI=1S/C15H19NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-7,9-10,12-13H,8,11,14H2,1H3/b3-2+,5-4+,7-6-,12-9+
HMDB41322	5,7-Dihydroxy-4'-methoxy-8-methylisoflavanone	COC1=CC=C(C=C1)C1COC2=C(C(O)=CC(O)=C2C)C1=O	InChI=1S/C17H16O5/c1-9-13(18)7-14(19)15-16(20)12(8-22-17(9)15)10-3-5-11(21-2)6-4-10/h3-7,12,18-19H,8H2,1-2H3
HMDB41323	Heteroartonin A	COC1=C(CC=C(C)C)C(O)=C(C=C1O)C1=C(CC=C(C)C)C(=O)C2=C(O1)C=C(O)C=C2O	InChI=1S/C26H28O7/c1-13(2)6-8-16-23(30)18(12-20(29)26(16)32-5)25-17(9-7-14(3)4)24(31)22-19(28)10-15(27)11-21(22)33-25/h6-7,10-12,27-30H,8-9H2,1-5H3
HMDB41320	(2R,4Z)-4-Hepten-2-ol	CC\C=C/CC(C)O	InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3/b5-4-
HMDB41321	5,7-Dihydroxy-4'-methoxy-8-methylflavanone	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C(C)=C(O)C=C2O	InChI=1S/C17H16O5/c1-9-12(18)7-13(19)16-14(20)8-15(22-17(9)16)10-3-5-11(21-2)6-4-10/h3-7,15,18-19H,8H2,1-2H3
HMDB41326	(Dimethoxymethyl)benzene	COC(OC)C1=CC=CC=C1	InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
HMDB41327	Koryoginsenoside Rg2	CC(C)(O)C\C=C\C(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C	InChI=1S/C54H92O24/c1-49(2,70)13-9-14-54(8,78-47-43(69)39(65)36(62)28(75-47)22-71-45-41(67)37(63)33(59)25(19-55)72-45)23-10-16-53(7)32(23)24(58)18-30-51(5)15-12-31(50(3,4)29(51)11-17-52(30,53)6)76-48-44(40(66)35(61)27(21-57)74-48)77-46-42(68)38(64)34(60)26(20-56)73-46/h9,14,23-48,55-70H,10-13,15-22H2,1-8H3/b14-9+
HMDB33538	Fragransol B	COC1=CC(CCO)=CC2=C1OC(C2C)C1=CC(OC)=C(O)C=C1	InChI=1S/C19H22O5/c1-11-14-8-12(6-7-20)9-17(23-3)19(14)24-18(11)13-4-5-15(21)16(10-13)22-2/h4-5,8-11,18,20-21H,6-7H2,1-3H3
HMDB33539	Fragransin D1	COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(OC)C(OC)=C1	InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3
HMDB31008	(+)-15,16-Dihydroxyoctadecanoic acid	CCC(O)C(O)CCCCCCCCCCCCCC(O)=O	InChI=1S/C18H36O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
HMDB31009	Adipostatin A	CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
HMDB34078	22-Dehydroclerosterol	CCC(\C=C\C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)=C	InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+
HMDB34079	Homodolichosterone	C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C29H48O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-22,24-27,31-34H,8-14H2,1-6H3/b17-7+
HMDB31004	Diatretin 2	OC(=O)\C=C\C#CC#CC#N	InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+
HMDB34077	Withaperuvin C	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4=CC=CC(=O)C4(C)C3CCC12C	InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3
HMDB34074	5-Oxooctadecanoic acid	CCCCCCCCCCCCCC(=O)CCCC(O)=O	InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
HMDB31007	1-Acetoxy-2-hydroxy-16-heptadecyn-4-one	CC(=O)OCC(O)CC(=O)CCCCCCCCCCCC#C	InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,19,22H,4-16H2,2H3
HMDB34072	Gentianose	OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2
HMDB34073	Vicine	NC1=NC(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(N)N1.NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N)=N1	InChI=1S/2C10H16N4O7/c2*11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2*2-5,9,15-18H,1H2,(H5,11,12,13,14,19)
HMDB34070	Sinigrin	OC[C@H]1O[C@@H](S\C(=N\OS(O)(=O)=O)CC=C)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
HMDB31003	9-Decenoic acid	OC(=O)CCCCCCCC=C	InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)
HMDB47774	TG(14:1(9Z)/16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,24-25,50H,4-14,16-17,19-23,26-49H2,1-3H3/b18-15-,25-24-
HMDB59509	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-39,43-49,53-54,56-58,60,65,68-69,72,87-89,94H,5-8,12,16-20,24,28-32,40-42,50-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB47772	TG(14:1(9Z)/16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18-19,22,48H,4-14,16-17,20-21,23-47H2,1-3H3/b18-15-,22-19-
HMDB59508	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-35,37-39,43-48,53-54,56-58,60,65,68-69,72,87-89,94H,5-8,12,16-20,24,29-31,36,40-42,49-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB56599	CL(16:0/18:1(11Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,35,38,73-75,80H,5-24,27-28,31-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,38-35-/t73?,74-,75-/m1/s1
HMDB56598	CL(16:0/18:1(11Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h25-27,29-31,73-75,80H,5-24,28,32-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-/t73?,74-,75-/m1/s1
HMDB59503	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69,71,73,75,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,70,72,74,76-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-,75-71-/t91?,92-,93-/m1/s1
HMDB42749	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-
HMDB42748	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,36-37,39-40,46,49,58H,4-6,8-9,11-15,18,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-
HMDB59502	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C97H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-94(99)107-87-92(113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)89-111-115(103,104)109-85-91(98)86-110-116(105,106)112-90-93(114-97(102)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9-16,21-28,33-40,45-52,57-64,69,73,91-93,98H,5-8,17-20,29-32,41-44,53-56,65-68,70-72,74-90H2,1-4H3,(H,103,104)(H,105,106)/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57-,62-58-,63-59-,64-60-,73-69-/t91?,92-,93-/m1/s1
HMDB42745	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,35-36,38,42,45,54H,4-7,9-10,12-15,18,21-23,27,31-32,34,37,39-41,43-44,46-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,38-35-,45-42-
HMDB42744	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,33,36,42,45,54H,4-7,9-10,12-15,18,21-23,27,31-32,34-35,37-41,43-44,46-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,45-42-
HMDB42747	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB39134	Ginsenoyne B	OC(C=C)C#CC#CCC(O)C(Cl)CCCCCC=C	InChI=1S/C17H23ClO2/c1-3-5-6-7-10-13-16(18)17(20)14-11-8-9-12-15(19)4-2/h3-4,15-17,19-20H,1-2,5-7,10,13-14H2
HMDB42741	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31,33,37,40,46,49,58H,4-15,18,21-23,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,33-31-,40-37-,49-46-
HMDB42740	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,40,43-44,47,56H,4-15,18,21-23,28,30,33,36-37,39,41-42,45-46,48-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,43-40-,47-44-
HMDB42743	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,45-46,48-49,58H,4-15,18,21-23,28-29,34-35,38,41-44,47,50-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-,49-46-
HMDB42742	TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,46,49,58H,4-15,18,21-23,28-29,34-35,38,41-45,47-48,50-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,49-46-
HMDB59500	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67,69,71,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66,68,70,72-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-/t89?,90-,91-/m1/s1
HMDB59507	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-28,32-38,42-47,52-56,58,63,66-67,70,85-87,92H,5-8,12,16-20,24,29-31,39-41,48-51,57,59-62,64-65,68-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,70-66-/t85?,86-,87-/m1/s1
HMDB59506	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-49-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)84-104-91(96)78-74-70-66-62-58-54-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-35,37-39,43-48,53-54,56-58,60,65,68-69,72,87-89,94H,5-8,12,16-20,24,28-32,36,40-42,49-52,55,59,61-64,66-67,70-71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,57-53-,58-54-,60-56-,69-65-,72-68-/t87?,88-,89-/m1/s1
HMDB32669	(3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one	CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC12C	InChI=1S/C29H46O4/c1-17(2)20(5)18(3)14-19(4)22-8-9-23-24-15-25(31)29(33)16-21(30)10-11-27(29,7)28(24,32)13-12-26(22,23)6/h14-15,17,19-23,30,32-33H,8-13,16H2,1-7H3/b18-14+
HMDB32668	(3beta,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol	CC(C)C(C)C(\C)=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC33OOC21C=C3	InChI=1S/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+
HMDB59505	CL(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-56,58,63,66-67,70,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,57,59-62,64-65,68-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-,70-66-/t85?,86-,87-/m1/s1
HMDB32661	2-Methylhexacosane	CCCCCCCCCCCCCCCCCCCCCCCCC(C)C	InChI=1S/C27H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h27H,4-26H2,1-3H3
HMDB39135	Torachrysone 8-(6-oxalylglucoside)	COC1=CC2=CC(C)=C(C(C)=O)C(O)=C2C(OC2OC(COC(=O)C(O)=O)C(O)C(O)C2O)=C1	InChI=1S/C22H24O12/c1-8-4-10-5-11(31-3)6-12(15(10)17(25)14(8)9(2)23)33-22-19(27)18(26)16(24)13(34-22)7-32-21(30)20(28)29/h4-6,13,16,18-19,22,24-27H,7H2,1-3H3,(H,28,29)
HMDB32663	Acoramone	COC1=CC(CC(C)=O)=C(OC)C=C1OC	InChI=1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3
HMDB32662	(S)-9-Hydroxy-10-undecenoic acid	OC(CCCCCCCC(O)=O)C=C	InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14)
HMDB32665	Licoagrocarpin	COC1=CC2=C(C=C1)C1COC3=C(CC=C(C)C)C(O)=CC=C3C1O2	InChI=1S/C21H22O4/c1-12(2)4-6-15-18(22)9-8-16-20(15)24-11-17-14-7-5-13(23-3)10-19(14)25-21(16)17/h4-5,7-10,17,21-22H,6,11H2,1-3H3
HMDB32664	Corchorifatty acid A	CCC(=O)\C=C\C=C\C=C\C(O)CCCCCCCC(O)=O	InChI=1S/C18H28O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14,17,20H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+
HMDB32667	5,9-Epidioxy-3-hydroxyergost-7-en-6-one	CC(C)C(C)CCC(C)C1CCC2C3=CC(=O)C45CC(O)CCC4(C)C3(CCC12C)OO5	InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h15,17-22,29H,7-14,16H2,1-6H3
HMDB32666	(3beta,5alpha,9alpha,22E,24R)-5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(=O)C45CC(O)CCC4(C)C3(CCC12C)OO5	InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,29H,9-14,16H2,1-6H3/b8-7+
HMDB48268	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,32,35,41,44,54H,4-7,9-10,12-14,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-
HMDB38188	Curcolone	CC1=COC2=C1C(=O)C1=C(C)CCC(O)C1(C)C2	InChI=1S/C15H18O3/c1-8-4-5-11(16)15(3)6-10-12(9(2)7-18-10)14(17)13(8)15/h7,11,16H,4-6H2,1-3H3
HMDB38189	Carindone	CC1=C2CC(CCC2(C)C2OC3(CC4(C)CCC(CC4=C(C)C3=O)C(C)(C)O)C(=O)C2C1=O)C(C)(C)O	InChI=1S/C31H44O6/c1-16-21-14-19(28(5,6)36)10-12-30(21,8)26-22(23(16)32)25(34)31(37-26)15-29(7)11-9-18(27(3,4)35)13-20(29)17(2)24(31)33/h18-19,22,26,35-36H,9-15H2,1-8H3
HMDB48269	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,50H,4-6,9,12-14,21-23,28-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-
HMDB38182	4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin	CC(C)=CCCC1=CCSSSC1	InChI=1S/C10H16S3/c1-9(2)4-3-5-10-6-7-11-13-12-8-10/h4,6H,3,5,7-8H2,1-2H3
HMDB38183	3-(4-Methyl-3-pentenyl)thiophene	CC(C)=CCCC1=CSC=C1	InChI=1S/C10H14S/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3
HMDB38180	2-(2-Hydroxy-4-methylphenyl)-3-pentanone	CCC(=O)C(C)C1=C(O)C=C(C)C=C1	InChI=1S/C12H16O2/c1-4-11(13)9(3)10-6-5-8(2)7-12(10)14/h5-7,9,14H,4H2,1-3H3
HMDB38181	Peperinic acid	CC1CCC2=C(C)C(=O)OC2(O)C1	InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3
HMDB38186	2,6-Dimethyl-7-octene-2,3,6-triol	CC(C)(O)C(O)CCC(C)(O)C=C	InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3
HMDB38187	beta-Atlantone	CC(C)=CC(=O)CC(=C)C1CCC(C)=CC1	InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14H,4,6-8,10H2,1-3H3
HMDB38184	Egomaketone	CC(C)=CCC(=O)C1=COC=C1	InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3,5-7H,4H2,1-2H3
HMDB38185	Ocimen quintoxide	C\C=C(\C)C1CCC(C)(C)O1	InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5-
HMDB37521	C.I. Solvent Red 80	COC1=CC=C(OC)C(=C1)\N=N\C1=C(O)C=CC2=C1C=CC=C2	InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3/b20-19+
HMDB37520	Tetrabromodiphenyl ethers	BrC1=CC=C(OC2=C(Br)C(Br)=C(Br)C=C2)C=C1	InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H
HMDB37523	Galanolactone	CC1(C)CCCC2(C)C(C\C=C3\CCOC3=O)C3(CO3)CCC12	InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5-
HMDB37522	Orange B	CCOC(=O)C1=NN(C(\N=N\C2=C3C=CC=CC3=C(C=C2)S(O)(=O)=O)C1=O)C1=CC=C(C=C1)S(O)(=O)=O	InChI=1S/C22H18N4O9S2/c1-2-35-22(28)19-20(27)21(26(25-19)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+
HMDB37525	2,2',4,4',5,5'-Hexabromodiphenyl ether	BrC1=CC(Br)=C(Br)C=C1OC1=CC(Br)=C(Br)C=C1Br	InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
HMDB37524	(3beta,5alpha,24R)-Stigmast-8(14)-en-3-ol	CCC(CCC(C)C1CCC2=C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-23,25,27,30H,7-18H2,1-6H3
HMDB37527	5,7-Megastigmadiene-3,9-diol; (3x,7E,9x)-form, 3-O-[b-D-Glucopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(O)\C=C\C1=C(C)CC(CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C25H42O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-6,12-13,15-24,26-33H,7-10H2,1-4H3/b6-5+
HMDB30758	Pteroside A	CC1=CC2=C(C(=O)C(C)(CO)C2)C(C)=C1CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C21H30O8/c1-10-6-12-7-21(3,9-23)19(27)15(12)11(2)13(10)4-5-28-20-18(26)17(25)16(24)14(8-22)29-20/h6,14,16-18,20,22-26H,4-5,7-9H2,1-3H3
HMDB37529	Lactaronecatorin A	CC(CC1=C(CO)COC1=O)C1=CCC(C)(C)C1	InChI=1S/C15H22O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,10,16H,5-9H2,1-3H3
HMDB37528	Blennin B	CC1=C2CC(C)(C)CC2C(O)C2=C(C1)C(=O)OC2O	InChI=1S/C15H20O4/c1-7-4-8-11(14(18)19-13(8)17)12(16)10-6-15(2,3)5-9(7)10/h10,12,14,16,18H,4-6H2,1-3H3
HMDB30755	Myrigalone E	COC1=CC(OC)=C(C)C(O)=C1C(=O)CCC1=CC=CC=C1	InChI=1S/C18H20O4/c1-12-15(21-2)11-16(22-3)17(18(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-8,11,20H,9-10H2,1-3H3
HMDB30754	11-Methoxynoryangonin	COC1=CC(=O)OC(\C=C/C2=CC(OC)=C(O)C=C2)=C1	InChI=1S/C15H14O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-13(16)14(7-10)19-2/h3-9,16H,1-2H3/b5-3-
HMDB30753	Aflatoxin Q1	COC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)CC1O)C(=O)O2	InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3
HMDB30752	3-(4-Hydroxyphenyl)-2-propenoic acid, 9CI; (E)-form, Me ether, Me ester	COC(=O)\C=C\C1=CC=C(OC)C=C1	InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+
HMDB30751	1,26-Hexacosanediol diferulate	COC1=CC(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O	InChI=1S/C46H70O8/c1-51-43-37-39(27-31-41(43)47)29-33-45(49)53-35-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-36-54-46(50)34-30-40-28-32-42(48)44(38-40)52-2/h27-34,37-38,47-48H,3-26,35-36H2,1-2H3/b33-29+,34-30+
HMDB30750	1,26-Dicaffeoylhexacosanediol	OC1=CC=C(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C2=CC=C(O)C(O)=C2)C=C1O	InChI=1S/C44H66O8/c45-39-29-25-37(35-41(39)47)27-31-43(49)51-33-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-34-52-44(50)32-28-38-26-30-40(46)42(48)36-38/h25-32,35-36,45-48H,1-24,33-34H2/b31-27+,32-28+
HMDB39581	Ethyl crotonate	CCOC(=O)\C=C/C	InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
HMDB39580	Sucrose monostearate	CCCCCCCCCCCCCCCCCC(O)=O.OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H36O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-17H2,1H3,(H,19,20);4-11,13-20H,1-3H2
HMDB39583	2-Ethyl-5-imino-1-cyclopenten-1-ol	CCC1=C(O)C(=N)CC1	InChI=1S/C7H11NO/c1-2-5-3-4-6(8)7(5)9/h8-9H,2-4H2,1H3
HMDB39582	6-Hexyl-1,4-dioxan-2-one	CCCCCCC1COCC(=O)O1	InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-12-8-10(11)13-9/h9H,2-8H2,1H3
HMDB39585	S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate	CC1=CC(SC(=O)C2=CC=CO2)=C(C)O1	InChI=1S/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3
HMDB39584	5-Imino-2-methyl-1-cyclopenten-1-ol	CC1=C(O)C(=N)CC1	InChI=1S/C6H9NO/c1-4-2-3-5(7)6(4)8/h7-8H,2-3H2,1H3
HMDB39587	5-Hexyl-1,4-dioxan-2-one	CCCCCCC1COC(=O)CO1	InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-13-10(11)8-12-9/h9H,2-8H2,1H3
HMDB39586	2-(1-Mercaptoethyl)furan	CC(S)C1=CC=CO1	InChI=1S/C6H8OS/c1-5(8)6-3-2-4-7-6/h2-5,8H,1H3
HMDB39589	Ginsenoyne G	CCCCCCCC1OC1CC#CC#CC(CC)OC(C)=O	InChI=1S/C19H28O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h17-19H,4-8,11,14-15H2,1-3H3
HMDB39588	Panaxynol	CCCCCCC\C=C\CC#CC#CC(O)C=C	InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10+
HMDB38230	Bn-NCC-2	CC1=C(C=C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)C1C(C(O)=O)C(=O)C2=C1NC(CC1=C(CCOC3OC(CO)C(O)C(O)C3O)C(C)=C(N1)C=O)=C2C	InChI=1S/C40H48N4O13/c1-6-19-15(2)23(44-38(19)53)11-22-17(4)21(7-8-28(47)48)32(42-22)30-31(39(54)55)35(50)29-18(5)24(43-33(29)30)12-25-20(16(3)26(13-45)41-25)9-10-56-40-37(52)36(51)34(49)27(14-46)57-40/h6,13,23,27,30-31,34,36-37,40-43,46,49,51-52H,1,7-12,14H2,2-5H3,(H,44,53)(H,47,48)(H,54,55)
HMDB38231	Azaspiracid 3	CC1CNC2(CC3OC4(CC(=C)C5OC(O)(CCC5C)C(O)C5CC6OC7(CCC8(CC=CC(O8)\C=C\CCC(O)=O)O7)C(C)CC6O5)CC(C)CC(O4)C3O2)C(C)C1	InChI=1S/C46H69NO12/c1-26-19-35-40-37(24-44(57-40)30(5)18-27(2)25-47-44)55-43(22-26,54-35)23-29(4)39-28(3)13-15-45(51,58-39)41(50)36-21-34-33(52-36)20-31(6)46(56-34)17-16-42(59-46)14-9-11-32(53-42)10-7-8-12-38(48)49/h7,9-11,26-28,30-37,39-41,47,50-51H,4,8,12-25H2,1-3,5-6H3,(H,48,49)/b10-7+
HMDB38232	Azaspiracid 4	CC1CNC2(CC3OC4(CC(=C)C5OC(O)(CCC5C)C(O)C5CC6OC7(CCC8(CC=CC(O8)\C=C\C(O)CC(O)=O)O7)C(C)CC6O5)CC(C)CC(O4)C3O2)C(C)C1	InChI=1S/C46H69NO13/c1-25-17-35-40-37(23-44(58-40)29(5)16-26(2)24-47-44)56-43(21-25,55-35)22-28(4)39-27(3)11-13-45(52,59-39)41(51)36-20-34-33(53-36)18-30(6)46(57-34)15-14-42(60-46)12-7-8-32(54-42)10-9-31(48)19-38(49)50/h7-10,25-27,29-37,39-41,47-48,51-52H,4,11-24H2,1-3,5-6H3,(H,49,50)/b10-9+
HMDB38233	Azaspiracid 5	CC1CNC2(CC3OC4(CC(=C)C5OC(O)(CC(O)C5C)C(O)C5CC6OC7(CCC8(CC=CC(O8)\C=C\CCC(O)=O)O7)C(C)CC6O5)CC(C)CC(O4)C3O2)C(C)C1	InChI=1S/C46H69NO13/c1-25-17-35-40-37(23-44(58-40)28(4)16-26(2)24-47-44)56-43(20-25,55-35)21-27(3)39-30(6)32(48)22-45(52,59-39)41(51)36-19-34-33(53-36)18-29(5)46(57-34)15-14-42(60-46)13-9-11-31(54-42)10-7-8-12-38(49)50/h7,9-11,25-26,28-37,39-41,47-48,51-52H,3,8,12-24H2,1-2,4-6H3,(H,49,50)/b10-7+
HMDB38234	Azaspiracid 2	CC1CNC2(CC3OC4(CC(=C)C5OC(O)(C(O)C6CC7OC8(CCC9(CC(C)=CC(O9)\C=C\CCC(O)=O)O8)C(C)CC7O6)C(C)CC5C)CC(C)CC(O4)C3O2)C(C)C1	InChI=1S/C48H73NO12/c1-26-16-34(11-9-10-12-40(50)51)55-44(21-26)13-14-47(61-44)32(7)19-35-36(58-47)20-38(54-35)43(52)48(53)33(8)18-29(4)41(60-48)30(5)23-45-22-27(2)17-37(56-45)42-39(57-45)24-46(59-42)31(6)15-28(3)25-49-46/h9,11,16,27-29,31-39,41-43,49,52-53H,5,10,12-15,17-25H2,1-4,6-8H3,(H,50,51)/b11-9+
HMDB38235	Rhamnazin 3-sophoroside	COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC=C(O)C(OC)=C1	InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3
HMDB38236	(+)-Fargesin	COC1=CC=C(C=C1OC)C1OCC2C1COC2C1=CC=C2OCOC2=C1	InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3
HMDB38237	xi-8-Methyldecanoic acid	CCC(C)CCCCCCC(O)=O	InChI=1S/C11H22O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
HMDB38238	Plantaricin BN	OC(=O)CCC1(CCC(O)=O)CCCCCCCCC(CCC(O)=O)(CCC(O)=O)C(=O)C1=O	InChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
HMDB38239	Sakacin P	CC(NC(=O)OC(C)(C)C)C(=O)C(N)=O	InChI=1S/C9H16N2O4/c1-5(6(12)7(10)13)11-8(14)15-9(2,3)4/h5H,1-4H3,(H2,10,13)(H,11,14)
HMDB51254	TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,32,35-37,39-41,44-46,48-49,62H,4-15,18,21-24,31,33-34,38,42-43,47,50-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-
HMDB59402	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-36,39-42,47-50,79-81,86H,5-8,11-12,15-20,23-24,28-30,32,37-38,43-46,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-/t79?,80-,81-/m1/s1
HMDB59403	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-37,40-43,48-49,51-52,81-83,88H,5-8,11-12,15-20,23-24,28-30,32,35,38-39,44-47,50,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-/t81?,82-,83-/m1/s1
HMDB59400	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-36,39-42,47-50,79-81,86H,5-8,11-12,15-20,23-24,27-32,37-38,43-46,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-/t80-,81-/m1/s1
HMDB59401	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,48-49,51-52,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-47,50,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,51-48-,52-49-/t81?,82-,83-/m1/s1
HMDB59406	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,41-42,44-45,48,50-54,60,64,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,46-47,49,55-59,61-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-/t83?,84-,85-/m1/s1
HMDB48266	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,30,54H,4-7,9-10,12-14,21-23,27-29,31-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,30-25-
HMDB59404	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,48-49,51-52,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-47,50,53-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-/t81?,82-,83-/m1/s1
HMDB59405	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(105-88(93)75-71-67-63-59-55-51-45-38-35-31-27-23-19-15-11-7-3)79-99-86(91)73-69-65-61-57-53-50-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,49-50,52-53,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-48,51,54-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,52-49-,53-50-/t82?,83-,84-/m1/s1
HMDB59408	CL(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-23,25-27,33-38,42-47,52-56,58,85-87,92H,5-8,12,16-20,24,28-32,39-41,48-51,57,59-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-/t85?,86-,87-/m1/s1
HMDB48267	TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,32,35,54H,4-7,9-10,12-14,21-23,27,31,33-34,36-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-
HMDB08408	PC(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26-29,33,35,46H,6-13,15,17-19,24-25,30-32,34,36-45H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
HMDB08409	PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,46H,6-13,18-19,24-25,30-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t46-/m1/s1
HMDB08404	PC(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,44H,6-8,10,12-13,18-19,23,27-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-/t44-/m1/s1
HMDB08405	PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29,31,44H,6-8,10,12-13,18-19,23,27-28,30,32-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-/t44-/m1/s1
HMDB08406	PC(20:3(8Z,11Z,14Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,46H,6-13,15,17-19,21,23-25,27,29-45H2,1-5H3/b16-14-,22-20-,28-26-/t46-/m1/s1
HMDB08407	PC(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,46H,6-13,18-19,24-25,27,29-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-/t46-/m1/s1
HMDB08400	PC(20:3(8Z,11Z,14Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,44H,6-13,15,18,21,23-24,27-43H2,1-5H3/b16-14-,19-17-,22-20-,26-25-/t44-/m1/s1
HMDB08401	PC(20:3(8Z,11Z,14Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,44H,6-13,15,17-19,23,27-43H2,1-5H3/b16-14-,22-20-,24-21-,26-25-/t44-/m1/s1
HMDB08402	PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,44H,6-13,18-19,23,27-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,26-25-/t44-/m1/s1
HMDB08403	PC(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29,31,44H,6-13,18-19,23,27-28,30,32-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,26-25-,31-29-/t44-/m1/s1
HMDB36690	3-Epinobilin	C\C=C(\C)C(=O)OC1C\C(C)=C\CC(O)\C(C)=C\C2OC(=O)C(=C)C12	InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+
HMDB36691	3-Dehydronobilin	C\C=C(\C)C(=O)OC1C\C(C)=C\CC(=O)\C(C)=C\C2OC(=O)C(=C)C12	InChI=1S/C20H24O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,16-18H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+
HMDB36692	Heliangin	C\C=C(/C)C(=O)OC1CC2(C)OC2CC(O)\C(C)=C/C2OC(=O)C(=C)C12	InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-
HMDB36693	Acetylbalchanolide	CC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O	InChI=1S/C17H24O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,12,14-16H,5,7-8H2,1-4H3/b10-6+,11-9+
HMDB36694	15-Hydroxyleptocarpin	C\C=C(\C)C(=O)OC1CC2(C)OC2CC(O)\C(CO)=C/C2OC(=O)C(=C)C12	InChI=1S/C20H26O7/c1-5-10(2)18(23)26-15-8-20(4)16(27-20)7-13(22)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-6,13-17,21-22H,3,7-9H2,1-2,4H3/b10-5-,12-6-
HMDB36695	Crispolide	CC12CCC(OO)\C(C1)=C\CC1C(OC(=O)C1=C)C2O	InChI=1S/C15H20O5/c1-8-10-4-3-9-7-15(2,6-5-11(9)20-18)13(16)12(10)19-14(8)17/h3,10-13,16,18H,1,4-7H2,2H3/b9-3+
HMDB36696	Yucalexin B'11	CC1(C)C2CCC34CC(C)(C=C3)C(=O)CC4C2(C)C(O)C1=O	InChI=1S/C19H26O3/c1-16(2)11-5-6-19-8-7-17(3,10-19)13(20)9-12(19)18(11,4)15(22)14(16)21/h7-8,11-12,15,22H,5-6,9-10H2,1-4H3
HMDB36697	ent-6,16-Kauradien-19-oic acid	CC12CCCC(C)(C1C=CC13CC(CCC21)C(=C)C3)C(O)=O	InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h7,10,14-16H,1,4-6,8-9,11-12H2,2-3H3,(H,21,22)
HMDB36698	Ineketone	CC1(C)CCCC2C3(C)C(O)CC(C)(C=C)C=C3C(=O)CC12O	InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3
HMDB36699	Chlorophenol red	OC1=CC=C(C=C1Cl)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C(Cl)=C1	InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H
HMDB32760	5-Hydroxytryptamine; Nb-(4-Hydroxy-E-cinnamoyl), O-b-D-glucopyranoside	OCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O	InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+
HMDB55869	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-6,8-9,11-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-
HMDB54018	TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-33,38,41,54H,4-6,8-9,11-15,18,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-
HMDB55864	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-35,37-38,43-44,46-47,66H,4-6,9,12-15,22-24,31-33,36,39-42,45,48-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-
HMDB55865	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,9,12-15,22-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-
HMDB55866	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,40,43,63H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,43-40-
HMDB36346	7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid	CC1=CC(=O)C2=C(C=C(O)C=C2O1)C(O)=O	InChI=1S/C11H8O5/c1-5-2-8(13)10-7(11(14)15)3-6(12)4-9(10)16-5/h2-4,12H,1H3,(H,14,15)
HMDB36347	2,3-Dihydroxy-1,3-diphenyl-1-propanone	OC(C(O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1	InChI=1S/C15H14O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,13,15-16,18H
HMDB36344	Tetrahydropersin	CCCCCCCCCCCCCCCCCC(=O)CC(O)COC(C)=O	InChI=1S/C23H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h23,26H,3-20H2,1-2H3
HMDB36345	3-Cyclohexyldodecane	CCCCCCCCCC(CC)C1CCCCC1	InChI=1S/C18H36/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h17-18H,3-16H2,1-2H3
HMDB36342	15-Oleoylsolamin	CCCCCCCCCCCCC(O)C1CCC(O1)C(CCCCCCCCCCCCC1=CC(C)OC1=O)OC(=O)CCCCCCC\C=C\CCCCCCCC	InChI=1S/C53H96O6/c1-4-6-8-10-12-14-16-17-18-19-20-26-30-34-38-42-52(55)59-50(41-37-33-29-25-22-21-23-27-31-35-39-47-45-46(3)57-53(47)56)51-44-43-49(58-51)48(54)40-36-32-28-24-15-13-11-9-7-5-2/h17-18,45-46,48-51,54H,4-16,19-44H2,1-3H3/b18-17+
HMDB36343	O-Demethylforbexanthone	CC1(C)OC2=C(O)C3=C(C=C2C=C1)C(=O)C1=C(O)C=C(O)C=C1O3	InChI=1S/C18H14O6/c1-18(2)4-3-8-5-10-14(21)13-11(20)6-9(19)7-12(13)23-17(10)15(22)16(8)24-18/h3-7,19-20,22H,1-2H3
HMDB36340	2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid; (3x,7x)-form, O-b-D-Glucopyranoside, Et ester	CCOC(=O)CC1CCC(=O)C1C\C=C\CCOC1OC(CO)C(O)C(O)C1O	InChI=1S/C20H32O9/c1-2-27-16(23)10-12-7-8-14(22)13(12)6-4-3-5-9-28-20-19(26)18(25)17(24)15(11-21)29-20/h3-4,12-13,15,17-21,24-26H,2,5-11H2,1H3/b4-3+
HMDB36341	15-Palmitoylsolamin	CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC1=CC(C)OC1=O)C1CCC(O1)C(O)CCCCCCCCCCCC	InChI=1S/C51H94O6/c1-4-6-8-10-12-14-16-17-18-24-28-32-36-40-50(53)57-48(39-35-31-27-23-20-19-21-25-29-33-37-45-43-44(3)55-51(45)54)49-42-41-47(56-49)46(52)38-34-30-26-22-15-13-11-9-7-5-2/h43-44,46-49,52H,4-42H2,1-3H3
HMDB32768	C.I. Acid Green 3	CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O	InChI=1S/C37H36N2O6S2/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45)
HMDB36348	Vitisin A	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC(O)=C2	InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)29)23-24(40-26-22(32)21(31)20(30)17(8-27)39-26)11-7-16(25(33)34)37-12-5-10(28)6-13(38-23)18(11)12/h3-7,17,20-22,26-27,30-32H,8H2,1-2H3,(H2-,28,29,33,34)/p+1/t17-,20-,21+,22-,26+/m1/s1
HMDB36349	Amlaic acid	OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C4C(CC(=O)OC4C(=O)OC1C2O)C(O)=O)C(O)=C(O)C(O)=C3	InChI=1S/C27H24O19/c28-5-12-20-19(36)22(27(42-12)46-24(39)6-1-9(29)16(33)10(30)2-6)45-25(40)8-3-11(31)17(34)18(35)14(8)15-7(23(37)38)4-13(32)43-21(15)26(41)44-20/h1-3,7,12,15,19-22,27-31,33-36H,4-5H2,(H,37,38)
HMDB01285	Geranyl-PP	CC(C)=CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O	InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
HMDB55863	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,36,38-39,41,45,48,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35,37,40,42-44,46-47,49-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,48-45-
HMDB01286	4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol	[H][C@@]12CCC([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)(C)[C@@H](O)CC[C@]12C	InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22?,23+,25+,26+,28-,29-/m1/s1
HMDB54017	TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,35-36,39,52H,4-7,9-10,12-15,18,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-
HMDB58469	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,66,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-/t83?,84-,85-/m1/s1
HMDB58468	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,62,64,66,68,83-85,90H,5-8,10-12,14-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB58463	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB58462	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,37,39-41,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58461	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36,38-40,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26,28-30,32,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,31-27-,36-33-,39-38-,40-34-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB54015	TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38-39,42-43,46,56H,4-15,18,21-23,28,30,33,36-37,40-41,44-45,47-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-,46-43-
HMDB58467	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,28,32-35,37-38,40,42-43,46,48,50,52,58,60,62,64,81-83,88H,5-8,10-12,14-20,23-24,27,29-31,36,39,41,44-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,62-58-,64-60-/t81?,82-,83-/m1/s1
HMDB58466	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C86H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-44-38-34-30-26-22-18-14-10-6-2)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3/h9,13,21,25-26,28,30,32-33,35,37-38,40-42,44,47,51,59,63,80-82,87H,5-8,10-12,14-20,22-24,27,29,31,34,36,39,43,45-46,48-50,52-58,60-62,64-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,32-28-,37-33-,41-40-,42-35-,44-38-,51-47-,63-59-/t80?,81-,82-/m1/s1
HMDB58465	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB58464	CL(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-34,37,39-41,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26,29-30,35-36,38,42-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,32-28-,37-33-,40-39-,41-34-,50-46-,62-58-/t79?,80-,81-/m1/s1
HMDB57290	CL(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21,25,33-34,36-37,39-41,43,48,52,60,64,79-81,86H,5-20,22-24,26-32,35,38,42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,37-33-,40-39-,41-34-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB58241	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,27,31,33-34,36-37,39-41,43,48,52,79-81,86H,5-8,10-12,14-20,22-24,26,28-30,32,35,38,42,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,31-27-,37-33-,40-39-,41-34-,43-36-,52-48-/t79?,80-,81-/m1/s1
HMDB12124	(Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(13)57-31-58-89(14)59-32-60-90(15)61-33-62-91(16)63-34-64-92(17)65-66-184-204(178,179)203-205(180,181)202-136-106(146-94(19)156)116(166)128(102(74-154)192-136)195-135-105(145-93(18)155)115(165)129(101(73-153)191-135)196-141-127(177)131(198-143-134(122(172)112(162)99(71-151)189-143)201-144-133(121(171)111(161)100(72-152)190-144)200-140-125(175)119(169)109(159)97(69-149)187-140)114(164)104(194-141)76-183-138-126(176)130(113(163)103(193-138)75-182-137-123(173)117(167)107(157)95(67-147)185-137)197-142-132(120(170)110(160)98(70-150)188-142)199-139-124(174)118(168)108(158)96(68-148)186-139/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,92,95-144,147-154,157-177H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-76H2,1-19H3,(H,145,155)(H,146,156)(H,178,179)(H,180,181)/b78-37+,79-39+,80-41+,81-43+,82-45+,83-47+,84-49+,85-51+,86-53+,87-55+,88-57+,89-59+,90-61+,91-63+/t92?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140-,141+,142-,143-,144-/m1/s1
HMDB12125	(Mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C150H250N2O62P2/c1-78(2)35-20-36-79(3)37-21-38-80(4)39-22-40-81(5)41-23-42-82(6)43-24-44-83(7)45-25-46-84(8)47-26-48-85(9)49-27-50-86(10)51-28-52-87(11)53-29-54-88(12)55-30-56-89(13)57-31-58-90(14)59-32-60-91(15)61-33-62-92(16)63-34-64-93(17)65-66-193-215(187,188)214-216(189,190)213-141-108(152-95(19)163)119(174)132(104(75-161)202-141)205-140-107(151-94(18)162)118(173)133(103(74-160)201-140)206-146-131(186)135(208-149-139(126(181)115(170)101(72-158)199-149)212-150-138(125(180)114(169)102(73-159)200-150)211-145-129(184)122(177)111(166)98(69-155)196-145)117(172)106(204-146)76-191-142-130(185)134(207-148-137(124(179)113(168)100(71-157)198-148)210-144-128(183)121(176)110(165)97(68-154)195-144)116(171)105(203-142)77-192-147-136(123(178)112(167)99(70-156)197-147)209-143-127(182)120(175)109(164)96(67-153)194-143/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,93,96-150,153-161,164-186H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-77H2,1-19H3,(H,151,162)(H,152,163)(H,187,188)(H,189,190)/b79-37+,80-39+,81-41+,82-43+,83-45+,84-47+,85-49+,86-51+,87-53+,88-55+,89-57+,90-59+,91-61+,92-63+/t93?,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132-,133-,134+,135+,136+,137+,138+,139+,140+,141+,142+,143-,144-,145-,146+,147+,148-,149-,150-/m1/s1
HMDB12126	(N-Acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O	InChI=1S/C96H160N2O17P2/c1-69(2)35-20-36-70(3)37-21-38-71(4)39-22-40-72(5)41-23-42-73(6)43-24-44-74(7)45-25-46-75(8)47-26-48-76(9)49-27-50-77(10)51-28-52-78(11)53-29-54-79(12)55-30-56-80(13)57-31-58-81(14)59-32-60-82(15)61-33-62-83(16)63-34-64-84(17)65-66-110-116(106,107)115-117(108,109)114-96-90(98-86(19)102)93(105)94(88(68-100)112-96)113-95-89(97-85(18)101)92(104)91(103)87(67-99)111-95/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,84,87-96,99-100,103-105H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-68H2,1-19H3,(H,97,101)(H,98,102)(H,106,107)(H,108,109)/b70-37+,71-39+,72-41+,73-43+,74-45+,75-47+,76-49+,77-51+,78-53+,79-55+,80-57+,81-59+,82-61+,83-63+/t84?,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+/m1/s1
HMDB12127	(R)-2-Benzylsuccinate	OC(=O)C[C@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
HMDB12120	(Mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C120H200N2O37P2/c1-73(2)35-20-36-74(3)37-21-38-75(4)39-22-40-76(5)41-23-42-77(6)43-24-44-78(7)45-25-46-79(8)47-26-48-80(9)49-27-50-81(10)51-28-52-82(11)53-29-54-83(12)55-30-56-84(13)57-31-58-85(14)59-32-60-86(15)61-33-62-87(16)63-34-64-88(17)65-66-147-160(142,143)159-161(144,145)158-116-98(122-90(19)129)104(135)111(95(71-127)152-116)154-115-97(121-89(18)128)103(134)112(94(70-126)151-115)155-119-110(141)113(102(133)96(153-119)72-146-117-108(139)105(136)99(130)91(67-123)148-117)156-120-114(107(138)101(132)93(69-125)150-120)157-118-109(140)106(137)100(131)92(68-124)149-118/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,88,91-120,123-127,130-141H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-72H2,1-19H3,(H,121,128)(H,122,129)(H,142,143)(H,144,145)/b74-37+,75-39+,76-41+,77-43+,78-45+,79-47+,80-49+,81-51+,82-53+,83-55+,84-57+,85-59+,86-61+,87-63+/t88?,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111-,112-,113+,114+,115+,116+,117+,118-,119+,120-/m1/s1
HMDB12121	(Mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C126H210N2O42P2/c1-74(2)35-20-36-75(3)37-21-38-76(4)39-22-40-77(5)41-23-42-78(6)43-24-44-79(7)45-25-46-80(8)47-26-48-81(9)49-27-50-82(10)51-28-52-83(11)53-29-54-84(12)55-30-56-85(13)57-31-58-86(14)59-32-60-87(15)61-33-62-88(16)63-34-64-89(17)65-66-156-171(151,152)170-172(153,154)169-121-100(128-91(19)136)107(143)115(97(72-134)162-121)164-120-99(127-90(18)135)106(142)116(96(71-133)161-120)165-124-114(150)117(105(141)98(163-124)73-155-122-112(148)108(144)101(137)92(67-129)157-122)166-125-119(111(147)104(140)94(69-131)159-125)168-126-118(110(146)103(139)95(70-132)160-126)167-123-113(149)109(145)102(138)93(68-130)158-123/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,89,92-126,129-134,137-150H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-73H2,1-19H3,(H,127,135)(H,128,136)(H,151,152)(H,153,154)/b75-37+,76-39+,77-41+,78-43+,79-45+,80-47+,81-49+,82-51+,83-53+,84-55+,85-57+,86-59+,87-61+,88-63+/t89?,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,109+,110+,111+,112+,113+,114+,115-,116-,117+,118+,119+,120+,121+,122+,123-,124+,125-,126-/m1/s1
HMDB12122	(Mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C132H220N2O47P2/c1-75(2)35-20-36-76(3)37-21-38-77(4)39-22-40-78(5)41-23-42-79(6)43-24-44-80(7)45-25-46-81(8)47-26-48-82(9)49-27-50-83(10)51-28-52-84(11)53-29-54-85(12)55-30-56-86(13)57-31-58-87(14)59-32-60-88(15)61-33-62-89(16)63-34-64-90(17)65-66-165-182(160,161)181-183(162,163)180-126-102(134-92(19)143)110(151)119(99(73-141)172-126)174-125-101(133-91(18)142)109(150)120(98(72-140)171-125)175-130-118(159)122(108(149)100(173-130)74-164-127-117(158)121(107(148)97(71-139)166-127)176-128-115(156)111(152)103(144)93(67-135)167-128)177-131-124(114(155)106(147)95(69-137)169-131)179-132-123(113(154)105(146)96(70-138)170-132)178-129-116(157)112(153)104(145)94(68-136)168-129/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,90,93-132,135-141,144-159H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-74H2,1-19H3,(H,133,142)(H,134,143)(H,160,161)(H,162,163)/b76-37+,77-39+,78-41+,79-43+,80-45+,81-47+,82-49+,83-51+,84-53+,85-55+,86-57+,87-59+,88-61+,89-63+/t90?,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,112+,113+,114+,115+,116+,117+,118+,119-,120-,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131-,132-/m1/s1
HMDB12123	(Mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol	OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C138H230N2O52P2/c1-76(2)35-20-36-77(3)37-21-38-78(4)39-22-40-79(5)41-23-42-80(6)43-24-44-81(7)45-25-46-82(8)47-26-48-83(9)49-27-50-84(10)51-28-52-85(11)53-29-54-86(12)55-30-56-87(13)57-31-58-88(14)59-32-60-89(15)61-33-62-90(16)63-34-64-91(17)65-66-174-193(169,170)192-194(171,172)191-131-104(140-93(19)150)113(159)123(101(74-148)182-131)184-130-103(139-92(18)149)112(158)124(100(73-147)181-130)185-135-122(168)126(187-137-129(118(164)109(155)97(70-144)179-137)190-138-128(117(163)108(154)98(71-145)180-138)189-134-120(166)115(161)106(152)95(68-142)177-134)111(157)102(183-135)75-173-132-121(167)125(110(156)99(72-146)175-132)186-136-127(116(162)107(153)96(69-143)178-136)188-133-119(165)114(160)105(151)94(67-141)176-133/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,91,94-138,141-148,151-168H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-75H2,1-19H3,(H,139,149)(H,140,150)(H,169,170)(H,171,172)/b77-37+,78-39+,79-41+,80-43+,81-45+,82-47+,83-49+,84-51+,85-53+,86-55+,87-57+,88-59+,89-61+,90-63+/t91?,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115+,116+,117+,118+,119+,120+,121+,122+,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,133-,134-,135+,136-,137-,138-/m1/s1
HMDB12128	(R)-Amphetamine	C[C@@H](N)CC1=CC=CC=C1	InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
HMDB12129	(R)-Benzylsuccinyl-CoA	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CC1=CC=CC=C1)C(O)=O	InChI=1S/C32H46N7O19P3S/c1-32(2,26(43)29(44)35-9-8-21(40)34-10-11-62-22(41)13-19(31(45)46)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(42)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,16-17,19-20,24-26,30,42-43H,8-15H2,1-2H3,(H,34,40)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20-,24-,25-,26?,30-/m1/s1
HMDB29526	Sanguiin H6	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(C=C(O)C(O)=C6O)C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2
HMDB29527	Melilotocarpan B	COC1=C(O)C2=C(C=C1)C1OC3=C(C=CC(O)=C3)C1CO2	InChI=1S/C16H14O5/c1-19-12-5-4-10-15-11(7-20-16(10)14(12)18)9-3-2-8(17)6-13(9)21-15/h2-6,11,15,17-18H,7H2,1H3
HMDB29524	5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone	COC1=C(O)C=CC(CCC(O)CC(=O)CCC2=CC=CC=C2)=C1	InChI=1S/C20H24O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,18,22-23H,7-8,10-11,14H2,1H3
HMDB29525	7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone	COC(CCC1=CC(OC)=C(O)C=C1)CC(=O)CCC1=CC=CC=C1	InChI=1S/C21H26O4/c1-24-19(12-9-17-10-13-20(23)21(14-17)25-2)15-18(22)11-8-16-6-4-3-5-7-16/h3-7,10,13-14,19,23H,8-9,11-12,15H2,1-2H3
HMDB29522	5,7-Dihydroxy-3-methoxyflavone	COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=CC=C1	InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3
HMDB29523	Neohesperidose	CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O	InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3
HMDB29520	Liquiritin	OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(O)C(O)C1O	InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2
HMDB29521	Norizalpinin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1	InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
HMDB53008	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,36,38,41,58H,4-6,8-9,11-15,17,20,22-24,30-31,34-35,37,39-40,42-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-
HMDB53009	TG(18:3(6Z,9Z,12Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-33,36,38,41-42,45,58H,4-6,8-9,11-15,17,20,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-
HMDB29528	6''-O-Acetylgenistin	CC(=O)OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(O)C(O)C1O	InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3
HMDB29529	6''-Malonylgenistin	OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C1O	InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)
HMDB11864	Ganglioside GD3 (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C74H133N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(88)77-48(49(84)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-99-69-63(93)62(92)65(55(44-81)101-69)102-70-64(94)68(60(90)53(42-79)100-70)106-74(72(97)98)40-51(86)58(76-47(4)83)67(105-74)61(91)54(43-80)103-73(71(95)96)39-50(85)57(75-46(3)82)66(104-73)59(89)52(87)41-78/h19-20,48-55,57-70,78-81,84-87,89-94H,5-18,21-45H2,1-4H3,(H,75,82)(H,76,83)(H,77,88)(H,95,96)(H,97,98)/b20-19-/t48-,49+,50-,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66?,67?,68-,69+,70-,73+,74-/m0/s1
HMDB11865	Ganglioside GD3 (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C75H137N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(89)78-49(50(85)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-100-70-64(94)63(93)66(56(45-82)102-70)103-71-65(95)69(61(91)54(43-80)101-71)107-75(73(98)99)41-52(87)59(77-48(4)84)68(106-75)62(92)55(44-81)104-74(72(96)97)40-51(86)58(76-47(3)83)67(105-74)60(90)53(88)42-79/h49-56,58-71,79-82,85-88,90-95H,5-46H2,1-4H3,(H,76,83)(H,77,84)(H,78,89)(H,96,97)(H,98,99)/t49-,50+,51-,52-,53+,54+,55+,56+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67?,68?,69-,70+,71-,74+,75-/m0/s1
HMDB56620	CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36,40,42,50,54,75-77,82H,5-20,22-24,28-29,32,34-35,37-39,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,36-33-,42-40-,54-50-/t75?,76-,77-/m1/s1
HMDB51624	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,18-19,21-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-
HMDB51625	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,36,38-39,41,45,47-48,50,62H,4-7,9-10,12-16,18-19,21-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-
HMDB51628	TG(22:1(13Z)/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H116O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,36,39,45,48,61H,4-24,27,30-35,37-38,40-44,46-47,49-60H2,1-3H3/b28-25-,29-26-,39-36-,48-45-
HMDB51629	TG(22:1(13Z)/22:1(13Z)/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-
HMDB00958	trans-Aconitic acid	OC(=O)C\C(=C/C(O)=O)C(O)=O	InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
HMDB00959	Tiglylglycine	C\C=C(/C)C(=O)NCC(O)=O	InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+
HMDB00956	Tartaric acid	O[C@H]([C@@H](O)C(O)=O)C(O)=O	InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
HMDB11868	Ganglioside GD3 (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C77H141N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(91)80-51(52(87)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-102-72-66(96)65(95)68(58(47-84)104-72)105-73-67(97)71(63(93)56(45-82)103-73)109-77(75(100)101)43-54(89)61(79-50(4)86)70(108-77)64(94)57(46-83)106-76(74(98)99)42-53(88)60(78-49(3)85)69(107-76)62(92)55(90)44-81/h51-58,60-73,81-84,87-90,92-97H,5-48H2,1-4H3,(H,78,85)(H,79,86)(H,80,91)(H,98,99)(H,100,101)/t51-,52+,53-,54-,55+,56+,57+,58+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69?,70?,71-,72+,73-,76+,77-/m0/s1
HMDB00954	trans-Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
HMDB00955	Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
HMDB00953	Suberylglycine	OC(=O)CCCCCCC(=O)NCC(O)=O	InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)
HMDB00950	Cer(d18:1/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)/b36-34+/t39-,40+/m0/s1
HMDB00951	Taurochenodesoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O	InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
HMDB11477	LysoPE(0:0/18:2(9Z,12Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1
HMDB11476	LysoPE(0:0/18:1(9Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1
HMDB11475	LysoPE(0:0/18:1(11Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h7-8,22,25H,2-6,9-21,24H2,1H3,(H,27,28)/b8-7-/t22-/m1/s1
HMDB11474	LysoPE(0:0/16:1(9Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/m1/s1
HMDB11473	LysoPE(0:0/16:0)	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1
HMDB11472	LysoPE(0:0/15:0)	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C20H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)28-19(17-22)18-27-29(24,25)26-16-15-21/h19,22H,2-18,21H2,1H3,(H,24,25)/t19-/m1/s1
HMDB11471	LysoPE(0:0/14:1(9Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)27-18(16-21)17-26-28(23,24)25-15-14-20/h5-6,18,21H,2-4,7-17,20H2,1H3,(H,23,24)/b6-5-/t18-/m1/s1
HMDB11470	LysoPE(0:0/14:0)	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC	InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)27-18(16-21)17-26-28(23,24)25-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)/t18-/m1/s1
HMDB11479	LysoPE(0:0/18:3(9Z,12Z,15Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1
HMDB11478	LysoPE(0:0/18:3(6Z,9Z,12Z))	[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,12-13,22,25H,2-5,8,11,14-21,24H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-/t22-/m1/s1
HMDB52757	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-22,26-31,35,37-38,40,55H,4-8,10-11,13-16,23-25,32-34,36,39,41-54H2,1-3H3/b12-9-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-,40-37-
HMDB52756	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-23,27-32,38,41,56H,4-8,10-11,13-17,24-26,33-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,22-19-,23-20-,30-27-,31-28-,32-29-,41-38-
HMDB52755	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h9,12,18-19,21-22,27-28,30-31,56H,4-8,10-11,13-17,20,23-26,29,32-55H2,1-3H3/b12-9-,21-18-,22-19-,30-27-,31-28-
HMDB52754	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,37,40,46,49,59H,4-6,8,11,13-15,17,22,24,26,30,35-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-,49-46-
HMDB52753	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-34,37,40,59H,4-6,8,11,13-15,17,22,24,26,30,35-36,38-39,41-58H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,32-31-,33-27-,34-29-,40-37-
HMDB52752	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,35,41,44,57H,4-6,8,11,13-15,17,22,24,26,30,34,36-40,42-43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,44-41-
HMDB52751	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-21,23,25,27-29,31-33,35,57H,4-6,8,11,13-15,17,22,24,26,30,34,36-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-
HMDB52750	TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-22,26-31,35,38,55H,4-7,10,13-16,23-25,32-34,36-37,39-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,22-19-,29-26-,30-27-,31-28-,38-35-
HMDB52759	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-29,31-33,35,39,42,57H,4-8,10-11,13-15,17,22,24,26,30,34,36-38,40-41,43-56H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-27-,32-29-,35-33-,42-39-
HMDB52758	TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,20-23,25,27,29-30,32,38,41,56H,4-8,10-11,14-15,17,19,24,26,28,31,33-37,39-40,42-55H2,1-3H3/b12-9-,16-13-,21-18-,23-20-,25-22-,30-27-,32-29-,41-38-
HMDB14445	Tenofovir	C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O	InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
HMDB14444	Penciclovir	NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2	InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
HMDB14447	Tranexamic Acid	NC[C@H]1CC[C@@H](CC1)C(O)=O	InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
HMDB14446	Flucloxacillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(F)C=CC=C1Cl)C(O)=O	InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1
HMDB14441	Ropivacaine	CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C	InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
HMDB14440	Morphine	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
HMDB14443	Dapiprazole	CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1	InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3
HMDB14442	Bupivacaine	CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C	InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
HMDB14449	Desogestrel	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]	InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
HMDB14448	Ertapenem	[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O	InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1
HMDB11789	Ganglioside GD1a (d18:0/25:0)	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C92H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-67(110)95-57(58(105)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)52-123-86-75(116)74(115)79(65(50-100)126-86)129-88-77(118)84(134-92(90(121)122)45-60(107)69(94-55(5)104)82(132-92)71(112)62(109)47-97)80(66(51-101)127-88)130-85-56(43-53(3)102)78(72(113)63(48-98)124-85)128-87-76(117)83(73(114)64(49-99)125-87)133-91(89(119)120)44-59(106)68(93-54(4)103)81(131-91)70(111)61(108)46-96/h56-66,68-88,96-101,105-109,111-118H,6-52H2,1-5H3,(H,93,103)(H,94,104)(H,95,110)(H,119,120)(H,121,122)/t56-,57+,58-,59+,60+,61-,62-,63-,64-,65-,66-,68-,69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80+,81?,82?,83+,84-,85+,86-,87+,88+,91+,92+/m1/s1
HMDB11788	Ganglioside GD1a (d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C91H161N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(109)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-74(115)73(114)78(64(49-99)125-85)128-87-76(117)83(133-91(89(120)121)44-59(106)68(93-54(5)103)81(131-91)70(111)61(108)46-96)79(65(50-100)126-87)129-84-55(42-52(3)101)77(71(112)62(47-97)123-84)127-86-75(116)82(72(113)63(48-98)124-86)132-90(88(118)119)43-58(105)67(92-53(4)102)80(130-90)69(110)60(107)45-95/h20-21,55-65,67-87,95-100,104-108,110-117H,6-19,22-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,109)(H,118,119)(H,120,121)/b21-20-/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82+,83-,84+,85-,86+,87+,90+,91+/m1/s1
HMDB11785	Ganglioside GD1a (d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H157N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(107)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-72(113)71(112)76(62(47-97)123-83)126-85-74(115)81(131-89(87(118)119)42-57(104)66(91-52(5)101)79(129-89)68(109)59(106)44-94)77(63(48-98)124-85)127-82-53(40-50(3)99)75(69(110)60(45-95)121-82)125-84-73(114)80(70(111)61(46-96)122-84)130-88(86(116)117)41-56(103)65(90-51(4)100)78(128-88)67(108)58(105)43-93/h20-21,53-63,65-85,93-98,102-106,108-115H,6-19,22-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,107)(H,116,117)(H,118,119)/b21-20-/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80+,81-,82+,83-,84+,85+,88+,89+/m1/s1
HMDB11784	Ganglioside GD1a (d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C89H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(107)92-54(55(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)49-120-83-72(113)71(112)76(62(47-97)123-83)126-85-74(115)81(131-89(87(118)119)42-57(104)66(91-52(5)101)79(129-89)68(109)59(106)44-94)77(63(48-98)124-85)127-82-53(40-50(3)99)75(69(110)60(45-95)121-82)125-84-73(114)80(70(111)61(46-96)122-84)130-88(86(116)117)41-56(103)65(90-51(4)100)78(128-88)67(108)58(105)43-93/h53-63,65-85,93-98,102-106,108-115H,6-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,107)(H,116,117)(H,118,119)/t53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,69+,70+,71-,72-,73-,74-,75-,76-,77+,78?,79?,80+,81-,82+,83-,84+,85+,88+,89+/m1/s1
HMDB11787	Ganglioside GD1a (d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C91H163N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(109)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-74(115)73(114)78(64(49-99)125-85)128-87-76(117)83(133-91(89(120)121)44-59(106)68(93-54(5)103)81(131-91)70(111)61(108)46-96)79(65(50-100)126-87)129-84-55(42-52(3)101)77(71(112)62(47-97)123-84)127-86-75(116)82(72(113)63(48-98)124-86)132-90(88(118)119)43-58(105)67(92-53(4)102)80(130-90)69(110)60(107)45-95/h55-65,67-87,95-100,104-108,110-117H,6-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,109)(H,118,119)(H,120,121)/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82+,83-,84+,85-,86+,87+,90+,91+/m1/s1
HMDB11786	Ganglioside GD1a (d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C90H161N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-65(108)93-55(56(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)50-121-84-73(114)72(113)77(63(48-98)124-84)127-86-75(116)82(132-90(88(119)120)43-58(105)67(92-53(5)102)80(130-90)69(110)60(107)45-95)78(64(49-99)125-86)128-83-54(41-51(3)100)76(70(111)61(46-96)122-83)126-85-74(115)81(71(112)62(47-97)123-85)131-89(87(117)118)42-57(104)66(91-52(4)101)79(129-89)68(109)59(106)44-94/h54-64,66-86,94-99,103-107,109-116H,6-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,108)(H,117,118)(H,119,120)/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78+,79?,80?,81+,82-,83+,84-,85+,86+,89+,90+/m1/s1
HMDB11781	Ganglioside GD1a (d18:0/18:1(11Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h16,18,49-59,61-81,89-94,98-102,104-111H,6-15,17,19-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/b18-16-/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1
HMDB11780	Ganglioside GD1a (d18:0/18:0)	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C85H151N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h49-59,61-81,89-94,98-102,104-111H,6-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1
HMDB11783	Ganglioside GD1a (d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C87H155N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-62(105)90-52(53(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)47-118-81-70(111)69(110)74(60(45-95)121-81)124-83-72(113)79(129-87(85(116)117)40-55(102)64(89-50(5)99)77(127-87)66(107)57(104)42-92)75(61(46-96)122-83)125-80-51(38-48(3)97)73(67(108)58(43-93)119-80)123-82-71(112)78(68(109)59(44-94)120-82)128-86(84(114)115)39-54(101)63(88-49(4)98)76(126-86)65(106)56(103)41-91/h51-61,63-83,91-96,100-104,106-113H,6-47H2,1-5H3,(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/t51-,52+,53-,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68+,69-,70-,71-,72-,73-,74-,75+,76?,77?,78+,79-,80+,81-,82+,83+,86+,87+/m1/s1
HMDB11782	Ganglioside GD1a (d18:0/18:1(9Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h20-21,49-59,61-81,89-94,98-102,104-111H,6-19,22-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(H,112,113)(H,114,115)/b21-20-/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76+,77-,78+,79-,80+,81+,84+,85+/m1/s1
HMDB29183	4'-O-methyl-(-)-epicatechin-7-O-beta-glucuronide	CCC1=CC=C(C=C1O)C1OC2=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=CC(O)=C2C[C@@H]1O	InChI=1S/C23H26O11/c1-2-9-3-4-10(5-13(9)24)20-15(26)8-12-14(25)6-11(7-16(12)33-20)32-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,15,17-21,23-29H,2,8H2,1H3,(H,30,31)/t15-,17-,18-,19?,20?,21?,23+/m0/s1
HMDB07728	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,45,48H,3-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1
HMDB07729	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,35,37,45,48H,3-5,7,9-10,15-16,21-22,27-28,33-34,36,38-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t45-/m0/s1
HMDB10438	TG(18:1(11Z)/16:0/18:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,22,26,28,52H,4-18,20-21,23-25,27,29-51H2,1-3H3/b22-19-,28-26-/t52-/m1/s1
HMDB10439	TG(18:1(11Z)/16:0/18:2(9Z,12Z))[iso3]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,52H,4-15,17-18,21-22,24,26,28-51H2,1-3H3/b19-16-,23-20-,27-25-/t52-/m0/s1
HMDB10434	TG(18:1(11Z)/14:0/18:1(11Z))[iso3]	[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h19-20,22-23,50H,4-18,21,24-49H2,1-3H3/b22-19-,23-20-
HMDB10435	TG(18:1(11Z)/14:0/18:1(9Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,25,27,50H,4-18,20-21,23-24,26,28-49H2,1-3H3/b22-19-,27-25-/t50-/m1/s1
HMDB10436	TG(18:1(11Z)/14:0/18:2(9Z,12Z))[iso3]	[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,50H,4-15,17-18,21-22,25,27-49H2,1-3H3/b19-16-,23-20-,26-24-/t50-/m0/s1
HMDB10437	TG(18:1(11Z)/16:0/18:1(11Z))[iso3]	[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,52H,4-18,21,24-51H2,1-3H3/b22-19-,23-20-
HMDB10430	TG(18:0/14:0/18:2(9Z,12Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,50H,4-15,17-18,20-23,25,27-49H2,1-3H3/b19-16-,26-24-/t50-/m0/s1
HMDB10431	TG(18:0/16:0/18:1(11Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h19,22,52H,4-18,20-21,23-51H2,1-3H3/b22-19-/t52-/m0/s1
HMDB10432	TG(18:0/16:0/18:3(9Z,12Z,15Z))[iso6]	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,52H,4-6,8-9,11-15,17-18,20-24,26,28-51H2,1-3H3/b10-7-,19-16-,27-25-/t52-/m0/s1
HMDB10433	TG(18:0/18:0/18:1(11Z))[iso3]	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,54H,4-18,20-21,23-53H2,1-3H3/b22-19-/t54-/m0/s1
HMDB51998	TG(24:1(15Z)/22:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C68H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,30,39,65H,4-20,22-23,26-27,29,31-38,40-64H2,1-3H3/b24-21-,28-25-,39-30-
HMDB55819	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,34-35,37-38,43-44,46-47,66H,4-6,9,12-15,18,21-24,27,30-33,36,39-42,45,48-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,47-44-
HMDB12467	(-)-epicatechin sulfate	OC1=CC(O)=C2OC([C@@H](CC2=C1)OS([O-])(=O)=O)C1=CC=C(O)C(O)=C1	InChI=1S/C15H14O9S/c16-9-3-8-5-13(24-25(20,21)22)15(23-14(8)12(19)6-9)7-1-2-10(17)11(18)4-7/h1-4,6,13,15-19H,5H2,(H,20,21,22)/p-1/t13-,15?/m1/s1
HMDB51999	TG(24:1(15Z)/22:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,38,44,47,64H,4-17,19-20,22-24,26,29-37,39-43,45-46,48-63H2,1-3H3/b21-18-,28-25-,38-27-,47-44-
HMDB12469	(-)-Salsoline	COC1=CC2=C(CCN[C@H]2C)C=C1O	InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m0/s1
HMDB12468	(-)-epigallocatechin sulfate	OC1=CC2=C(O[C@H]([C@H](C2)OS([O-])(=O)=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1	InChI=1S/C15H14O10S/c16-8-1-6-4-12(25-26(21,22)23)15(24-14(6)11(19)5-8)7-2-9(17)13(20)10(18)3-7/h1-3,5,12,15-20H,4H2,(H,21,22,23)/p-1/t12-,15-/m0/s1
HMDB54344	TG(22:2(13Z,16Z)/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,54H,4-7,9-10,12-15,18,21-23,27-29,31-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-
HMDB54345	TG(22:2(13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,30,35,37,54H,4-7,9-10,12-15,18,21-23,27-29,31-34,36,38-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,30-25-,37-35-
HMDB54342	TG(22:2(13Z,16Z)/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30,32,36,39,58H,4-15,18,21-23,28-29,31,33-35,37-38,40-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,39-36-
HMDB29184	4'-O-Methyl-(-)-epicatechin-7-O-sulphate	COC1=CC=C(C=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(=C2)S([O-])=O	InChI=1S/C16H16O7S/c1-22-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(24(20)21)6-15(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)/p-1/t13-,16-/m1/s1
HMDB54340	TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-
HMDB54341	TG(22:2(13Z,16Z)/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,58H,4-15,18,21-23,28-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-
HMDB56854	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,36-38,41-45,50-51,54-55,82-84,89H,5-8,11-12,15-20,23-24,28-30,32,35,39-40,46-49,52-53,56-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,14-10-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-/t82?,83-,84-/m1/s1
HMDB56855	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-42-46-50-54-58-62-66-70-83(88)100-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-45-41-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40-41,45-46,50,52,56,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,42-44,47-49,51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,45-41-,50-46-,56-52-/t77?,78-,79-/m1/s1
HMDB56856	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,40,43-45,48-50,54,56-57,60-61,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,46-47,51-53,55,58-59,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-/t81?,82-,83-/m1/s1
HMDB56857	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,41-42,44-46,50-52,55-56,58,62,64,68,83-85,90H,5-8,10-12,14-20,24,28-32,39-40,43,47-49,53-54,57,59-61,63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-,68-64-/t83?,84-,85-/m1/s1
HMDB56850	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-37,40-44,49-50,53-54,81-83,88H,5-8,11-12,15-20,23-24,27-32,38-39,45-48,51-52,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-/t81?,82-,83-/m1/s1
HMDB56851	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C82H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-39-41-45-49-53-57-61-65-69-82(87)99-78(72-92-79(84)66-62-58-54-50-46-42-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-36,38-40,45,49,76-78,83H,5-8,10-12,14-20,22-24,27-29,31-32,34,37,41-44,46-48,50-75H2,1-4H3,(H,88,89)(H,90,91)/b13-9-,25-21-,30-26-,35-33-,39-38-,40-36-,49-45-/t76?,77-,78-/m1/s1
HMDB56852	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-44-48-52-56-60-64-68-72-85(90)101-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-84(89)71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36-38,40-43,48,52,79-81,86H,5-8,10-12,14-20,22-24,28-29,32,34-35,39,44-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,31-27-,36-33-,41-40-,42-37-,43-38-,52-48-/t79?,80-,81-/m1/s1
HMDB56853	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C88H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)80-102-106(94,95)100-76-82(89)77-101-107(96,97)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3)105-88(93)75-71-67-63-59-55-51-47-44-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-34,36-38,41-45,50-51,54-55,63,67,82-84,89H,5-8,10-12,14-20,23-24,28-30,32,35,39-40,46-49,52-53,56-62,64-66,68-81H2,1-4H3,(H,94,95)(H,96,97)/b13-9-,25-21-,26-22-,31-27-,36-33-,37-34-,43-41-,44-42-,45-38-,54-50-,55-51-,67-63-/t82?,83-,84-/m1/s1
HMDB58878	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C92H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-46-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-47-44-42-38-34-30-26-22-18-14-10-6-2)85-107-111(100,101)105-81-86(93)80-104-110(98,99)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-28,32-35,37-40,43-44,46-48,50,53-55,57,59,62,65-67,69,71,86-88,93H,5-8,11-12,15-20,24,29-31,36,41-42,45,49,51-52,56,58,60-61,63-64,68,70,72-85H2,1-4H3,(H,98,99)(H,100,101)/b13-9-,14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-40-,54-50-,57-53-,59-55-,66-62-,69-65-,71-67-/t86?,87-,88-/m1/s1
HMDB58879	CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)108-91(96)78-74-70-66-62-58-54-50-46-44-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-40,43-48,53-54,57-58,65-66,69-70,85-87,92H,5-20,23-24,29-30,35-36,41-42,49-52,55-56,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,45-43-,46-44-,47-39-,48-40-,57-53-,58-54-,69-65-,70-66-/t86-,87-/m1/s1
HMDB29185	5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1=C(O)C=C(CC2CCC(=O)O2)C=C1	InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2
HMDB56858	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-43-38-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-38,41-42,44-46,50-52,55-56,58,62,83-85,90H,5-8,11-12,15-20,24,28-32,39-40,43,47-49,53-54,57,59-61,63-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,50-46-,55-51-,56-52-,62-58-/t83?,84-,85-/m1/s1
HMDB56859	CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-36,39-42,47-48,50,52,58,62,79-81,86H,5-9,11-13,15-20,23-24,27-32,37-38,43-46,49,51,53-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-/t79?,80-,81-/m1/s1
HMDB51990	TG(24:1(15Z)/20:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-
HMDB51991	TG(24:1(15Z)/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,45-42-
HMDB58678	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-39,43-49,54-56,58-60,66-68,70-72,87-89,94H,5-9,12-13,16-20,24,28-32,40-42,50-53,57,61-65,69,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-,72-68-/t87?,88-,89-/m1/s1
HMDB58679	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,28,32-35,37-38,41-45,50,52,54,56,64,68,83-85,90H,5-8,11-12,15-20,23-24,27,29-31,36,39-40,46-49,51,53,55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,32-28-,37-33-,38-34-,43-41-,44-42-,45-35-,54-50-,56-52-,68-64-/t83?,84-,85-/m1/s1
HMDB29188	5-hydroxymethyl-2-furanoate	OCC1=CC=C(O1)C([O-])=O	InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)/p-1
HMDB58672	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-39,41,44-47,50-52,56,58-59,62-64,68,83-85,90H,5-8,10-12,14-20,24,28-32,40,42-43,48-49,53-55,57,60-61,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,50-46-,51-47-,56-52-,62-58-,63-59-,68-64-/t83?,84-,85-/m1/s1
HMDB05478	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,60H,4-15,22-24,31-33,40-42,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
HMDB48469	TG(16:1(9Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,54H,4-15,17-18,21-22,24,27-53H2,1-3H3/b19-16-,23-20-,26-25-
HMDB05476	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-34,36-37,42-43,45-46,58H,4-15,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m1/s1
HMDB48467	TG(16:1(9Z)/16:0/20:3n6)	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,31,52H,4-15,17-18,21-22,24,27,29-30,32-51H2,1-3H3/b19-16-,23-20-,26-25-,31-28-
HMDB05474	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
HMDB05475	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-32,34,40,43,56H,4-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
HMDB05472	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3]	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,56H,4-16,19,22-25,28-29,32-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-/t56-/m1/s1
HMDB05473	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))[iso3]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,56H,4-16,19,22-24,29,32-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1
HMDB05470	TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3]	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,32,58H,4-17,19-20,22-24,30-31,33-57H2,1-3H3/b21-18-,28-25-,29-26-,32-27-/t58-/m1/s1
HMDB05471	TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32-33,36,42,45,58H,4-15,17,20,22-24,30-31,34-35,37-41,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,45-42-/t58-/m1/s1
HMDB06921	(S)-3-Hydroxy-N-methylcoclaurine	COC1=C(O)C=C2[C@H](CC3=CC(O)=C(O)C=C3)N(C)CCC2=C1	InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/t14-/m0/s1
HMDB49330	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,28-29,32-33,36,42,45,57H,4-19,22,26-27,30-31,34-35,37-41,43-44,46-56H2,1-3H3/b23-20-,24-21-,28-25-,32-29-,36-33-,45-42-
HMDB49333	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33-34,36-37,43,46,58H,4-15,17-18,20,22-23,27,30-32,35,38-42,44-45,47-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-33-,37-34-,46-43-
HMDB29189	5-hydroxysebacate	OC(CCCCC([O-])=O)CCCC(O)=O	InChI=1S/C10H18O5/c11-8(5-3-7-10(14)15)4-1-2-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)/p-1
HMDB49335	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,36,39,45,48,60H,4-15,17-18,20,22-23,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,39-36-,48-45-
HMDB49334	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-15,17-18,20,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB06927	4a-Methylzymosterol-4-carboxylic acid	C[C@@H](CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(C1CC3)C(O)=O	InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24?,25-,27+,28+,29-/m0/s1
HMDB49336	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-26,28-29,31,33,36,38-39,41,45,48,60H,4-15,17-18,20,22-23,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB49339	TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,32,35-36,39,41,44,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB06928	Delta 8,14 -Sterol	[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C	InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1
HMDB58677	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H148O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-39,43-49,54-56,58-60,66-67,70-71,87-89,94H,5-9,12-13,16-20,24,28-32,40-42,50-53,57,61-65,68-69,72-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,49-36-,58-54-,59-55-,60-56-,70-66-,71-67-/t87?,88-,89-/m1/s1
HMDB58675	CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-9,11-13,15-20,23-24,27-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB00181	L-Dopa	N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O	InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
HMDB00182	L-Lysine	NCCCC[C@H](N)C(O)=O	InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
HMDB00187	L-Serine	N[C@@H](CO)C(O)=O	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
HMDB00186	Alpha-Lactose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
HMDB00189	Inosine triphosphate	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O	InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
HMDB57068	CL(18:0/16:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,71-73,78H,5-24,26,30,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB57069	CL(18:0/16:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26-28,30-32,73-75,80H,5-25,29,33-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,32-28-/t73?,74-,75-/m1/s1
HMDB57066	CL(18:0/16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,48,56,60,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57067	CL(18:0/16:1(9Z)/18:1(11Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h26,28,30,32,73-75,80H,5-25,27,29,31,33-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,32-28-/t73?,74-,75-/m1/s1
HMDB57064	CL(18:0/16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,26,29-30,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57065	CL(18:0/16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-33,35,37-38,44,48,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,34,36,39-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,48-44-/t75?,76-,77-/m1/s1
HMDB57062	CL(18:0/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C78H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(94-77(82)64-60-56-52-48-44-39-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,35,37,72-74,79H,5-24,26,30,33-34,36,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,37-35-/t72?,73-,74-/m1/s1
HMDB57063	CL(18:0/16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-33,35,38,42,50,54,73-75,80H,5-20,22-24,26,29-30,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB57060	CL(18:0/16:1(9Z)/16:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h26-28,30-32,71-73,78H,5-25,29,33-70H2,1-4H3,(H,83,84)(H,85,86)/b30-26-,31-27-,32-28-/t71?,72-,73-/m1/s1
HMDB57061	CL(18:0/16:1(9Z)/16:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-32,34,36,71-73,78H,5-26,29-30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,36-34-/t71?,72-,73-/m1/s1
HMDB50289	TG(18:1(9Z)/o-18:0/20:3n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25,27-28,31-32,35,57H,4-15,17-18,20-24,26,29-30,33-34,36-56H2,1-3H3/b19-16-,28-25-,31-27-,35-32-
HMDB58265	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66,70,87-89,94H,5-9,12-13,16-20,24,29-31,36,40-42,49-53,57,61-65,67-69,71-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-/t87?,88-,89-/m1/s1
HMDB50288	TG(18:1(9Z)/o-18:0/20:2n6)	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C58H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(60)63-55-56(61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h13,16,22,25,27,30,56H,4-12,14-15,17-21,23-24,26,28-29,31-55H2,1-3H3/b16-13-,25-22-,30-27-
HMDB58264	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-35,37-39,43-48,54-56,58-60,66,68,70,72,87-89,94H,5-9,11-13,15-20,24,29-31,36,40-42,49-53,57,61-65,67,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b14-10-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,70-66-,72-68-/t87?,88-,89-/m1/s1
HMDB50281	TG(18:1(9Z)/o-18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,55H,4-25,28,31-54H2,1-3H3/b29-26-,30-27-
HMDB50280	TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,27-28,31-33,37,40,46,49,59H,4-6,8-9,11-15,17-18,20-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,28-25-,32-31-,33-27-,40-37-,49-46-
HMDB31574	1-Isothiocyanato-6-(methylthio)hexane	CSCCCCCCN=C=S	InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3
HMDB31576	(E)-4-Isothiocyanato-1-(methylthio)-1-butene	CS\C=C/CCN=C=S	InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3-
HMDB31577	Berteroin	CSCCCCCN=C=S	InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
HMDB31570	2-Methyl-1-phenyl-2-propanol	CC(C)(O)CC1=CC=CC=C1	InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
HMDB31571	2-Methyl-1-phenyl-2-propanol; Ac	CC(=O)OC(C)(C)CC1=CC=CC=C1	InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
HMDB31572	2-Methyl-4-propyl-1,3-oxathiane	CCCC1CCOC(C)S1	InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3
HMDB31573	(R)-(E)-Sulforaphene	CS(=O)\C=C\CCN=C=S	InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+
HMDB31578	2-Methylpentanal	CCCC(C)C=O	InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
HMDB31579	2-Methylpentanoic acid, 9CI; ()-form, Et ester	CCCC(C)C(=O)OCC	InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
HMDB35264	Avenestergenin A1	CNC1=C(C=CC=C1)C(=O)OC1CC2(C)C(O)CC3(C)C(C2CC1(C)C=O)C(=O)CC1C2(C)CCC(O)C(C)(CO)C2CCC31C	InChI=1S/C38H55NO7/c1-33(20-40)17-23-31-25(42)16-27-34(2)14-13-28(43)36(4,21-41)26(34)12-15-37(27,5)38(31,6)18-29(44)35(23,3)19-30(33)46-32(45)22-10-8-9-11-24(22)39-7/h8-11,20,23,26-31,39,41,43-44H,12-19,21H2,1-7H3
HMDB35265	Anhydrosophoradiol	CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C=C1	InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,15-16,21-24,31H,10-14,17-19H2,1-8H3
HMDB35266	Avenestergenin B2	CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(=O)C2C3CC(C)(C=O)C(CC3(C)C(O)CC12C)OC(=O)C1=CC=CC=C1	InChI=1S/C37H52O6/c1-32(2)25-13-16-36(6)26(34(25,4)15-14-27(32)40)17-24(39)30-23-18-33(3,21-38)29(43-31(42)22-11-9-8-10-12-22)20-35(23,5)28(41)19-37(30,36)7/h8-12,21,23,25-30,40-41H,13-20H2,1-7H3
HMDB35234	14,16-Nonacosanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCC	InChI=1S/C29H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28(30)27-29(31)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
HMDB35260	delta-Maslinic acid	CC1(C)CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)=C2C1)C(O)=O	InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h20-23,31-32H,8-17H2,1-7H3,(H,33,34)
HMDB35261	24-Hydroxyglycyrrhetic acid	CC12CCC(C)(CC1C1=CC(=O)C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O	InChI=1S/C30H46O5/c1-25-11-12-26(2,24(34)35)16-19(25)18-15-20(32)23-27(3)9-8-22(33)28(4,17-31)21(27)7-10-30(23,6)29(18,5)14-13-25/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)
HMDB35262	Avenestergenin A2	CC1(CC2C3C(=O)CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(C)CC1OC(=O)C1=CC=CC=C1)C=O	InChI=1S/C37H52O7/c1-32(20-38)17-23-30-24(40)16-26-33(2)14-13-27(41)35(4,21-39)25(33)12-15-36(26,5)37(30,6)18-28(42)34(23,3)19-29(32)44-31(43)22-10-8-7-9-11-22/h7-11,20,23,25-30,39,41-42H,12-19,21H2,1-6H3
HMDB35263	Oxyallobetulin	CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC45C)C2C1OC3=O	InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3
HMDB02198	(3R,3'R,6'R,9-cis)-Carotene-3,3'-diol	O[C@@H]1CC(C)=C(\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=CC(O)CC2(C)C)C(C)(C)C1	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20-/t35?,36-,37-/m1/s1
HMDB02127	3-Mercaptolactic acid	OC(CS)C(O)=O	InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)
HMDB02126	27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(C)O	InChI=1S/C26H46O5/c1-14(5-8-21(29)15(2)27)18-6-7-19-24-20(13-23(31)26(18,19)4)25(3)10-9-17(28)11-16(25)12-22(24)30/h14-24,27-31H,5-13H2,1-4H3/t14-,15?,16+,17-,18-,19+,20+,21?,22-,23+,24+,25+,26-/m1/s1
HMDB35268	4-Isopropylbenzoic acid	CC(C)C1=CC=C(C=C1)C(O)=O	InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
HMDB35269	Azukisaponin IV	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-37(59)34(56)31(53)25(66-40)20-63-38-35(57)32(54)29(51)23(18-49)64-38)16-14-45(4)21(22(48)17-43)7-8-26-44(3)11-10-28(47(6,41(60)61)27(44)9-12-46(26,45)5)67-39-36(58)33(55)30(52)24(19-50)65-39/h7,22-40,49-59H,8-20H2,1-6H3,(H,60,61)
HMDB02123	1,3,7-Trimethyluric acid	CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C	InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
HMDB02199	Desaminotyrosine	OC(=O)CCC1=CC=C(O)C=C1	InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
HMDB42856	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26-27,29-30,32,38,41,53H,4-6,8-9,11-15,17-18,21-22,25,28,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-27-,32-30-,41-38-
HMDB57930	CL(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83?,84-,85-/m1/s1
HMDB57931	CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25-32,71-73,78H,5-24,33-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-,31-27-,32-28-/t72-,73-/m1/s1
HMDB57932	CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-32,73-75,80H,5-24,33-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,31-27-,32-28-/t73?,74-,75-/m1/s1
HMDB57933	CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,28-30,32,35,38,73-75,80H,5-24,27,31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-,32-28-,38-35-/t73?,74-,75-/m1/s1
HMDB57934	CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C80H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3)73-95-99(88,89)93-69-74(81)68-92-98(86,87)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-32,36,39,74-76,81H,5-24,33-35,37-38,40-73H2,1-4H3,(H,86,87)(H,88,89)/b29-25-,30-26-,31-27-,32-28-,39-36-/t74?,75-,76-/m1/s1
HMDB57935	CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,40,44,52,56,75-77,82H,5-20,22-24,29,34-35,37-39,41-43,45-51,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,36-33-,44-40-,56-52-/t75?,76-,77-/m1/s1
HMDB57936	CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,29,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57937	CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,46,50,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-/t77?,78-,79-/m1/s1
HMDB57938	CL(18:1(11Z)/16:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,46,50,58,62,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,50-46-,62-58-/t77?,78-,79-/m1/s1
HMDB57939	CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h25,27,29,31,34,36,71-73,78H,5-24,26,28,30,32-33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,31-27-,36-34-/t71?,72-,73-/m1/s1
HMDB05102	Prostaglandin D1	CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
HMDB48810	TG(16:1(9Z)/20:3n6/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,30,33,54H,4-15,17-18,22,26,28-29,31-32,34-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,33-30-
HMDB48817	TG(16:1(9Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,33,35,38,54H,4-15,18,22-23,28,31-32,34,36-37,39-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,33-30-,38-35-
HMDB35238	Methyl hexanoate	CCCCCC(=O)OC	InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
HMDB48816	TG(16:1(9Z)/20:3n6/18:2(9Z,12Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27-28,30-31,34,55H,4-15,17-18,22,26,29,32-33,35-54H2,1-3H3/b19-16-,23-20-,24-21-,27-25-,30-28-,34-31-
HMDB56087	DG(22:0/0:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3
HMDB56086	DG(20:0/0:0/22:6n3)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,34,36,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-,36-34-
HMDB56085	DG(20:0/0:0/22:5n3)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28-
HMDB56084	DG(20:0/0:0/20:5n3)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-
HMDB56083	DG(20:0/0:0/20:4n3)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-
HMDB48815	TG(16:1(9Z)/20:3n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,36,39,60H,4-16,18-19,22-23,29-35,37-38,40-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,39-36-
HMDB56081	DG(20:0/0:0/18:3n3)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,39,42H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3/b8-6-,14-12-,21-18-
HMDB56080	DG(20:0/0:0/22:5n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,34,36,43,46H,3-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,19-17-,24-22-,30-28-,36-34-
HMDB02730	Nicotinamide N-oxide	NC(=O)C1=C[N+]([O-])=CC=C1	InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)
HMDB48814	TG(16:1(9Z)/20:3n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,34,37,58H,4-16,18-19,22-23,29-33,35-36,38-57H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,37-34-
HMDB56830	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-54,56-58,64-66,68-70,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,55,59-63,67,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-,70-66-/t85?,86-,87-/m1/s1
HMDB56089	DG(22:0/0:0/14:1n5)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCC=CCCCCCCCC	InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h25,27,37,40H,3-24,26,28-36H2,1-2H3/b27-25+
HMDB53368	TG(20:2n6/16:1(9Z)/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h13-14,16-17,21-26,54H,4-12,15,18-20,27-53H2,1-3H3/b16-13-,17-14-,24-21-,25-22-,26-23-
HMDB48819	TG(16:1(9Z)/20:3n6/20:3n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31-32,34-35,56H,4-15,18,22-23,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-
HMDB48818	TG(16:1(9Z)/20:3n6/20:2n6)	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-27,31,34,55H,4-13,15,18,20,22,28-30,32-33,35-54H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,27-25-,34-31-
HMDB30227	5-Methoxycanthin-6-one	COC1=CC2=NC=CC3=C2N(C2=CC=CC=C32)C1=O	InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
HMDB30226	Mahanimbinine	CC1=CC2=C(NC3=CC=CC=C23)C2=C1OC(C)(CCCC(C)(C)O)C=C2	InChI=1S/C23H27NO2/c1-15-14-18-16-8-5-6-9-19(16)24-20(18)17-10-13-23(4,26-21(15)17)12-7-11-22(2,3)25/h5-6,8-10,13-14,24-25H,7,11-12H2,1-4H3
HMDB30225	(+)-Mahanimbicine	CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2)C2=CC(C)=CC=C2N1	InChI=1S/C23H25NO/c1-15(2)6-5-12-23(4)13-11-18-21(25-23)10-8-17-19-14-16(3)7-9-20(19)24-22(17)18/h6-11,13-14,24H,5,12H2,1-4H3
HMDB30224	Murrayacinine	CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2C=O)C2=CC=CC=C2N1	InChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3
HMDB30223	()-Currayangine	CC1=CC2=C3N(C4=C2C=CC=C4)C(C)(C)C2CCC4(C)CC2C3=C1O4	InChI=1S/C23H25NO/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,25-21(13)19)10-9-17(16)22(24,2)3/h5-8,11,16-17H,9-10,12H2,1-4H3
HMDB30222	Bicyclomahanimbine	CC1=CC2=C(NC3=CC=CC=C23)C2=C1OC1(C)CCC3C1C2C3(C)C	InChI=1S/C23H25NO/c1-12-11-14-13-7-5-6-8-16(13)24-20(14)17-19-18-15(22(19,2)3)9-10-23(18,4)25-21(12)17/h5-8,11,15,18-19,24H,9-10H2,1-4H3
HMDB30221	Bicyclomahanimbicine	CC1=CC=C2NC3=C(C=CC4=C3C3C5C(CCC5(C)O4)C3(C)C)C2=C1	InChI=1S/C23H25NO/c1-12-5-7-16-14(11-12)13-6-8-17-18(21(13)24-16)20-19-15(22(20,2)3)9-10-23(19,4)25-17/h5-8,11,15,19-20,24H,9-10H2,1-4H3
HMDB30220	Laurotetanine	COC1=CC2=C(CC3NCCC4=CC(OC)=C(OC)C2=C34)C=C1O	InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3
HMDB40233	2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one	CC1CC=C2C(C)(C)CC(=O)CC2(C)O1	InChI=1S/C13H20O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h6,9H,5,7-8H2,1-4H3
HMDB40232	Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one	CC1CCC2C(C)(C)CC(=O)CC2(C)O1	InChI=1S/C13H22O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h9,11H,5-8H2,1-4H3
HMDB40231	1-(5-Methyl-2-thienyl)-1-propanone	CCC(=O)C1=CC=C(C)S1	InChI=1S/C8H10OS/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
HMDB40230	3-Acetyl-1,2-dithiolane	CC(=O)C1CCSS1	InChI=1S/C5H8OS2/c1-4(6)5-2-3-7-8-5/h5H,2-3H2,1H3
HMDB40237	Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone	COC1(C)SCCC1=O	InChI=1S/C6H10O2S/c1-6(8-2)5(7)3-4-9-6/h3-4H2,1-2H3
HMDB40236	3,4-Diethylthiophene	CCC1=CSC=C1CC	InChI=1S/C8H12S/c1-3-7-5-9-6-8(7)4-2/h5-6H,3-4H2,1-2H3
HMDB40235	1,1'-Thiobis-1-propanethiol	CCC(S)SC(S)CC	InChI=1S/C6H14S3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3
HMDB30228	Nigakinone	OC1=C(O)C2=NC=CC3=C2N(C2=CC=CC=C32)C1=O	InChI=1S/C14H8N2O3/c17-12-10-11-8(5-6-15-10)7-3-1-2-4-9(7)16(11)14(19)13(12)18/h1-6,17-18H
HMDB51190	TG(20:3(5Z,8Z,11Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,36,38-39,42,44,47,61H,4-6,8-9,11-14,17,20-23,30-31,33,35,37,40-41,43,45-46,48-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-
HMDB51191	TG(20:3(5Z,8Z,11Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H102O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,32,34,36,38-39,42,44,47-48,51,61H,4-6,8-9,11-14,17,20-23,30-31,33,35,37,40-41,43,45-46,49-50,52-60H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,34-32-,38-36-,42-39-,47-44-,51-48-
HMDB51192	TG(20:3(5Z,8Z,11Z)/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-59(61)64-57-58(56-63-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,25-26,28,33,35,41,44,58H,4-13,15-16,18-22,24,27,29-32,34,36-40,42-43,45-57H2,1-3H3/b17-14-,26-23-,28-25-,35-33-,44-41-
HMDB51193	TG(20:3(5Z,8Z,11Z)/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,34-39,43-44,46-47,60H,4-17,19-20,22-24,31-33,40-42,45,48-59H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-
HMDB51194	TG(20:3(5Z,8Z,11Z)/20:3n6/22:1(13Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,36,38-39,41,45,48,62H,4-17,19-20,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-
HMDB51195	TG(20:3(5Z,8Z,11Z)/20:3n6/24:1(15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,38,40-41,43,47,50,64H,4-17,19-20,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47-
HMDB51196	TG(20:3(5Z,8Z,11Z)/20:3n6/18:2(9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,33-35,37-38,43,46,59H,4-16,18-19,22-23,27,31-32,36,39-42,44-45,47-58H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-
HMDB51197	TG(20:3(5Z,8Z,11Z)/20:3n6/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-34,36-38,41-42,45,58H,4-16,19,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB51198	TG(20:3(5Z,8Z,11Z)/20:3n6/20:2n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,34-35,37-38,43,46,59H,4-14,16,19,21-23,30-33,36,39-42,44-45,47-58H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,37-34-,38-35-,46-43-
HMDB51199	TG(20:3(5Z,8Z,11Z)/20:3n6/20:3n6)	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34-39,44,47,60H,4-15,17,20,22-24,31-33,40-43,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,47-44-
HMDB03290	Gulonic acid	OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O	InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m1/s1
HMDB46046	TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB46047	TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51,54,64H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-
HMDB46044	TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32,35-36,39,41,44,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-
HMDB46045	TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32,35-36,39,41,44-45,48,62H,4-7,9-10,12-15,18,21-24,27,30-31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-32-,39-36-,44-41-,48-45-
HMDB46042	TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,39,42,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-
HMDB46043	TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-
HMDB46040	TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,64H,4-15,18,21-24,27,30-32,35,38-41,44,47-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB46041	TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,51,54,64H,4-15,18,21-24,27,30-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-,54-51-
HMDB08174	PC(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,42H,6-8,10,12-13,18-19,24-25,30-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t42-/m1/s1
HMDB08175	PC(18:3(6Z,9Z,12Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,28,30,44H,6-14,16,18-20,22-23,25-27,29,31-43H2,1-5H3/b17-15-,24-21-,30-28-/t44-/m1/s1
HMDB08176	PC(18:3(6Z,9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,28,30,44H,6-14,16,18-19,23,25-27,29,31-43H2,1-5H3/b17-15-,22-20-,24-21-,30-28-/t44-/m1/s1
HMDB08177	PC(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24,28,30,44H,6-13,18-19,23,25-27,29,31-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,30-28-/t44-/m1/s1
HMDB08170	PC(18:3(6Z,9Z,12Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,42H,6-13,15,17-19,24-25,27,29-41H2,1-5H3/b16-14-,22-20-,23-21-,28-26-/t42-/m1/s1
HMDB08171	PC(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,42H,6-13,18-19,24-25,27,29-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-/t42-/m1/s1
HMDB08172	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,42H,6-13,18-19,24-25,30-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t42-/m1/s1
HMDB08173	PC(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26,28,42H,6-8,10,12-13,18-19,24-25,27,29-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-/t42-/m1/s1
HMDB08178	PC(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-25,27-28,30-31,33,44H,6-14,16,18-19,23,26,29,32,34-43H2,1-5H3/b17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1
HMDB08179	PC(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27-28,30,44H,6-13,18-19,23,26,29,31-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,27-25-,30-28-/t44-/m1/s1
HMDB51448	TG(22:1(13Z)/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,41,44,58H,4-16,18-19,21-24,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b20-17-,27-25-,28-26-,36-33-,44-41-
HMDB51449	TG(22:1(13Z)/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,60H,4-15,17-18,20-24,29-59H2,1-3H3/b19-16-,27-25-,28-26-
HMDB55576	TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,56H,4-6,9,12-15,18,22-23,29-30,33,36-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-
HMDB55577	TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-32,34-35,39,42,56H,4-6,9,12-15,18,22-23,29-30,33,36-38,40-41,43-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-
HMDB55574	TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31-32,34-35,38,43,46,56H,4-6,9,12-14,21-23,28,30,33,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-,46-43-
HMDB55575	TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29,31,53H,4-6,8-9,11-14,17,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-
HMDB55572	TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,37,40,54H,4-6,9,12-14,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-
HMDB51365	TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-7,9-10,12-15,18,21-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB55570	TG(20:4(8Z,11Z,14Z,17Z)/24:0/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H120O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,40,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38-39,41-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-
HMDB55571	TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,54H,4-6,9,12-14,21-23,28-29,34-53H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB55578	TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,39,58H,4-6,9,12-15,18,22-23,29,31,34-35,38,40-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-
HMDB55579	TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-6,9,12-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-
HMDB53653	TG(20:3n6/14:0/20:3n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,54H,4-15,18,21-23,28-29,34-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB58269	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB50750	TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,36,39,56H,4-7,10,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-
HMDB41548	Hovenidulcioside B1	CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1	InChI=1S/C44H70O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h20-22,24-30,32-37,39-40,45,48-52H,9-19H2,1-8H3
HMDB41549	Hovenidulcioside B2	CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1	InChI=1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3
HMDB41542	N2-Maltulosylarginine	NC(=N)NCCCC(NCC1(O)OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)=O	InChI=1S/C18H34N4O12/c19-17(20)21-3-1-2-7(15(29)30)22-6-18(31)14(28)11(25)9(5-32-18)34-16-13(27)12(26)10(24)8(4-23)33-16/h7-14,16,22-28,31H,1-6H2,(H,29,30)(H4,19,20,21)
HMDB41543	2,5-Dibenzyl-3-hydroxy-6-methoxypyrazine	COC1=C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=CC=C2)=N1.COC1=C(CC2=CC=CC=C2)N=C(O)C(CC2=CC=CC=C2)=N1	InChI=1S/2C19H18N2O2/c2*1-23-19-17(13-15-10-6-3-7-11-15)20-18(22)16(21-19)12-14-8-4-2-5-9-14/h2*2-11H,12-13H2,1H3,(H,20,22)
HMDB41540	N-(5-Methyl-3-oxohexyl)alanine	CC(C)CC(=O)CCNC(C)C(O)=O	InChI=1S/C10H19NO3/c1-7(2)6-9(12)4-5-11-8(3)10(13)14/h7-8,11H,4-6H2,1-3H3,(H,13,14)
HMDB41541	N2-Fructopyranosylarginine	NC(=N)NCCCC(NCC1(O)OCC(O)C(O)C1O)C(O)=O	InChI=1S/C12H24N4O7/c13-11(14)15-3-1-2-6(10(20)21)16-5-12(22)9(19)8(18)7(17)4-23-12/h6-9,16-19,22H,1-5H2,(H,20,21)(H4,13,14,15)
HMDB41546	Foeniculoside VII	CC1(C)OC2(C)CCC1(CC2O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C16H28O8/c1-14(2)16(5-4-15(3,24-14)9(18)6-16)23-13-12(21)11(20)10(19)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3
HMDB41547	Hovenidulcigenin B	CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1	InChI=1S/C32H50O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h18-19,21-26,34H,8-17H2,1-7H3
HMDB41544	7-Hydroxy-3,4',8-trimethoxyflavone	COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=CC=C(O)C(OC)=C2O1	InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)15-18(23-3)14(20)12-8-9-13(19)17(22-2)16(12)24-15/h4-9,19H,1-3H3
HMDB41545	(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol	CC1(C)OC2(C)CCC1(O)CC2O	InChI=1S/C10H18O3/c1-8(2)10(12)5-4-9(3,13-8)7(11)6-10/h7,11-12H,4-6H2,1-3H3
HMDB58268	CL(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-/t83?,84-,85-/m1/s1
HMDB50719	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35-36,39,41,44-45,48,50,53,62H,4-15,17-18,20-24,31,33-34,37-38,40,42-43,46-47,49,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-,53-50-
HMDB50718	TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25-30,32,35,41,44,50,53,62H,4-15,17-18,20-24,31,33-34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,35-32-,44-41-,53-50-
HMDB50711	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,39,42,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-38,40-41,43-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-
HMDB50710	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-15,18,21-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-
HMDB50713	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-36,39,41,44,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,40,42-43,45-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-
HMDB50712	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,31,33-34,39-40,42-43,60H,4-8,10-11,13-15,17,20,22-24,30,32,35-38,41,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,42-39-,43-40-
HMDB50715	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,42-43,45-46,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-41,44,47-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-
HMDB50714	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-30,32,35-36,39,41,44-45,48,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-
HMDB50717	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,34,39,42,61H,4-15,17-18,20-24,27,30-31,33,35-38,40-41,43-60H2,1-3H3/b19-16-,28-25-,29-26-,34-32-,42-39-
HMDB50716	TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,36-37,42-43,45-46,51,54,64H,4-6,8-9,11-15,18,21-24,31-32,35,38-41,44,47-50,52-53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,37-34-,45-42-,46-43-,54-51-
HMDB54629	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8,11,13-15,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB54628	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-6,8,11,13-15,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB54621	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,36,39,45,48,54,57,66H,4-8,10-11,13-15,22-24,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-,57-54-
HMDB54620	TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34,36,41,44,63H,4-7,9-10,12-15,18,21-24,27,30-33,35,37-40,42-43,45-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-34-,44-41-
HMDB54623	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-8,10-11,13-15,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-
HMDB54622	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34,36-37,39,43,45-46,48,54,57,66H,4-8,10-11,13-15,22-24,31-33,35,38,40-42,44,47,49-53,55-56,58-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,57-54-
HMDB54625	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,33,35-36,41-42,44-45,50,53,62H,4-7,10,13-15,22-24,30-32,34,37-40,43,46-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,45-42-,53-50-
HMDB54624	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,33,35-36,41,44,50,53,62H,4-7,10,13-15,22-24,30-32,34,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,35-33-,36-27-,44-41-,53-50-
HMDB54627	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-7,10,13-15,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB54626	TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-30,34,37-38,41,43,46,52,55,64H,4-7,10,13-15,22-24,31-33,35-36,39-40,42,44-45,47-51,53-54,56-63H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,55-52-
HMDB48149	TG(14:1(9Z)/20:3n6/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,54H,4-14,21-23,28-29,34-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
HMDB48148	TG(14:1(9Z)/20:3n6/20:2n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-19,23-26,30,32,53H,4-13,20-22,27-29,31,33-52H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,32-30-
HMDB42169	TG(14:0/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,52H,4-15,17-18,20-23,25,27-28,31-51H2,1-3H3/b19-16-,26-24-,30-29-
HMDB42168	TG(14:0/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h13,16,22,24,51H,4-12,14-15,17-21,23,25-50H2,1-3H3/b16-13-,24-22-
HMDB42165	TG(14:0/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h24,26,56H,4-23,25,27-55H2,1-3H3/b26-24-
HMDB42164	TG(14:0/18:0/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h24,26,54H,4-23,25,27-53H2,1-3H3/b26-24-
HMDB42167	TG(14:0/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,31,34,50H,4-15,17-18,20-23,25,27-30,32-33,35-49H2,1-3H3/b19-16-,26-24-,34-31-
HMDB42166	TG(14:0/18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h19,22,26,28,51H,4-18,20-21,23-25,27,29-50H2,1-3H3/b22-19-,28-26-
HMDB42161	TG(14:0/18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h24,26,50H,4-23,25,27-49H2,1-3H3/b26-24-
HMDB42160	TG(14:0/18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,50H,4-18,20-21,23-49H2,1-3H3/b22-19-
HMDB42163	TG(14:0/18:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24,26,29-30,36,39,52H,4-23,25,27-28,31-35,37-38,40-51H2,1-3H3/b26-24-,30-29-,39-36-
HMDB42162	TG(14:0/18:0/20:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24,26,52H,4-23,25,27-51H2,1-3H3/b26-24-
HMDB53652	TG(20:2n6/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-35-38-41-44-47-50-53-56-62(64)67-59-60(65-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23,25-26,28,32-33,38,41,47,50,60H,4-6,8-9,11-13,15,18,20-22,24,27,29-31,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,17-14-,19-16-,26-23-,28-25-,33-32-,41-38-,50-47-
HMDB29058	Threoninyl-Cysteine	CC(O)C(NC(=O)C(N)CS)C(O)=O	InChI=1S/C7H14N2O4S/c1-3(10)5(7(12)13)9-6(11)4(8)2-14/h3-5,10,14H,2,8H2,1H3,(H,9,11)(H,12,13)
HMDB29059	Threoninyl-Glutamine	CC(O)C(NC(=O)C(N)CCC(N)=O)C(O)=O	InChI=1S/C9H17N3O5/c1-4(13)7(9(16)17)12-8(15)5(10)2-3-6(11)14/h4-5,7,13H,2-3,10H2,1H3,(H2,11,14)(H,12,15)(H,16,17)
HMDB29056	Threoninyl-Asparagine	CC(O)C(NC(=O)C(N)CC(N)=O)C(O)=O	InChI=1S/C8H15N3O5/c1-3(12)6(8(15)16)11-7(14)4(9)2-5(10)13/h3-4,6,12H,2,9H2,1H3,(H2,10,13)(H,11,14)(H,15,16)
HMDB29057	Threoninyl-Aspartate	CC(O)C(NC(=O)C(N)CC(O)=O)C(O)=O	InChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-7(14)4(9)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)
HMDB29054	Threoninyl-Alanine	CC(O)C(NC(=O)C(C)N)C(O)=O	InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)
HMDB29055	Threoninyl-Arginine	CC(O)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O	InChI=1S/C10H21N5O4/c1-5(16)7(9(18)19)15-8(17)6(11)3-2-4-14-10(12)13/h5-7,16H,2-4,11H2,1H3,(H,15,17)(H,18,19)(H4,12,13,14)
HMDB29052	Serinyl-Valine	CC(C)C(N)C(=O)NC(CO)C(O)=O	InChI=1S/C8H16N2O4/c1-4(2)6(9)7(12)10-5(3-11)8(13)14/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)
HMDB29053	Serinyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CO)C(O)=O	InChI=1S/C8H15N3O5/c9-4(1-2-6(10)13)7(14)11-5(3-12)8(15)16/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)
HMDB29050	Serinyl-Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CO)C(O)=O	InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)
HMDB29051	Serinyl-Tyrosine	NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(O)=O	InChI=1S/C12H16N2O5/c13-9(5-7-1-3-8(16)4-2-7)11(17)14-10(6-15)12(18)19/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)
HMDB53105	TG(18:3(6Z,9Z,12Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-32,35-37,39-40,56H,4-7,9-10,12-15,22-24,29,33-34,38,41-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,40-37-
HMDB53104	TG(18:3(6Z,9Z,12Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,30-32,35,37,40,56H,4-7,9-10,12-15,22-24,29,33-34,36,38-39,41-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,40-37-
HMDB53107	TG(18:3(6Z,9Z,12Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-34,36-38,41-42,45,58H,4-6,8-9,11-15,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB53106	TG(18:3(6Z,9Z,12Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-34,36-38,41,58H,4-6,8-9,11-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-
HMDB53101	TG(18:3(6Z,9Z,12Z)/20:3n6/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,34,36,39-40,43,60H,4-15,22-24,30-33,35,37-38,41-42,44-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,34-27-,39-36-,43-40-
HMDB53100	TG(18:3(6Z,9Z,12Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-34,36-38,41-42,45,58H,4-15,22-24,30-31,35,39-40,43-44,46-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-
HMDB53103	TG(18:3(6Z,9Z,12Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,36,38-41,43,47,50,60H,4-15,22-24,30,32,35,37,42,44-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,50-47-
HMDB53102	TG(18:3(6Z,9Z,12Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-34,36,38-41,43,60H,4-15,22-24,30,32,35,37,42,44-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-
HMDB46099	TG(20:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-
HMDB46098	TG(20:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-
HMDB46091	TG(20:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,34,60H,4-8,10-11,13-15,17,20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,34-27-
HMDB46090	TG(20:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32-33,35,41,44,58H,4-8,10-11,13-15,17,20,22-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,44-41-
HMDB46093	TG(20:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-
HMDB46092	TG(20:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,33-34,38,41,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-37,39-40,42-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-
HMDB46095	TG(20:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,30-31,36,39,56H,4-7,10,13-16,19,22-25,28-29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-,39-36-
HMDB46094	TG(20:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,30-31,56H,4-7,10,13-16,19,22-25,28-29,32-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-
HMDB46097	TG(20:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,35,41,44,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34,36-40,42-43,45-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,35-33-,44-41-
HMDB46096	TG(20:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32-33,35,58H,4-6,8,11,13-15,17,20,22-24,26,29-31,34,36-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,32-27-,35-33-
HMDB59212	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-46-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-35,37-38,41-45,49-50,53-54,61-62,65-66,83-85,90H,5-20,23-24,27-32,36,39-40,46-48,51-52,55-60,63-64,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,53-49-,54-50-,65-61-,66-62-/t83?,84-,85-/m1/s1
HMDB45678	TG(20:0/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-
HMDB45679	TG(20:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,28,33,35,52H,4-7,9-10,12-14,16,19,21-24,26-27,29-32,34,36-51H2,1-3H3/b11-8-,18-15-,20-17-,28-25-,35-33-
HMDB45674	TG(20:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,37,40,54H,4-14,17,20-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b18-15-,19-16-,26-24-,32-30-,40-37-
HMDB45675	TG(20:0/14:1(9Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,56H,4-14,17,20-23,25,27-55H2,1-3H3/b18-15-,19-16-,26-24-
HMDB45676	TG(20:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,35,38,56H,4-14,17,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,38-35-
HMDB45677	TG(20:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,35,38,43,46,56H,4-14,17,20-23,25,27-28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b18-15-,19-16-,26-24-,31-29-,38-35-,46-43-
HMDB45670	TG(20:0/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,27,29,53H,4-14,16-17,19,21-22,24-26,28,30-52H2,1-3H3/b18-15-,23-20-,29-27-
HMDB45671	TG(20:0/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,33,35,52H,4-14,16,19,21-24,26-27,29-32,34,36-51H2,1-3H3/b18-15-,20-17-,28-25-,35-33-
HMDB45672	TG(20:0/14:1(9Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h14-15,17-18,23,25,53H,4-13,16,19-22,24,26-52H2,1-3H3/b17-14-,18-15-,25-23-
HMDB45673	TG(20:0/14:1(9Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30,32,54H,4-14,17,20-23,25,27-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,32-30-
HMDB46329	TG(22:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-38-,49-46-
HMDB46328	TG(22:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,38,40,60H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,27-25-,33-31-,40-38-
HMDB46327	TG(22:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,41,44,58H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,44-41-
HMDB46326	TG(22:0/16:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,58H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-57H2,1-3H3/b11-8-,20-17-,28-26-,36-33-
HMDB46325	TG(22:0/16:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,36,39,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,31-26-,39-36-
HMDB46324	TG(22:0/16:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,31,56H,4-7,9-10,12-16,18-19,21-25,27-30,32-55H2,1-3H3/b11-8-,20-17-,31-26-
HMDB46323	TG(22:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,40,46,49,60H,4-15,17-18,20-24,26,28-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b19-16-,27-25-,33-31-,40-38-,49-46-
HMDB46322	TG(22:0/16:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33,38,40,60H,4-15,17-18,20-24,26,28-30,32,34-37,39,41-59H2,1-3H3/b19-16-,27-25-,33-31-,40-38-
HMDB46321	TG(22:0/16:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,60H,4-15,17-18,20-24,26,28-59H2,1-3H3/b19-16-,27-25-
HMDB46320	TG(22:0/16:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,41,44,58H,4-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-57H2,1-3H3/b20-17-,28-26-,36-33-,44-41-
HMDB43782	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32,36,39,45,48,57H,4-6,8-9,11-15,17-18,20-24,29,31,33-35,37-38,40-44,46-47,49-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,39-36-,48-45-
HMDB43783	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-
HMDB43780	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,29-30,34,37,43,46,55H,4-6,8-9,11-15,17-18,21-22,24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,30-29-,37-34-,46-43-
HMDB43781	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,34,37,43,46,55H,4-6,8-9,11-15,17-18,20-24,28,32-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-34-,46-43-
HMDB43786	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27-28,30-32,35,38,44,47,56H,4-6,8-9,11-15,17-18,21-22,24,26,29,33-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,23-20-,27-25-,31-30-,32-28-,38-35-,47-44-
HMDB43787	TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-37,39,43,46,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,38,40-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,46-43-
HMDB39288	beta-Sitosterol behenate	CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(CC)C(C)C	InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3
HMDB39289	3-Hydroxy-12-oleanen-29-oic acid; 3a-form, 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)[a-L-rhamnopyranosyl-(1-&gt;4)]-b-D-glucopyranosyl-(1-&gt;2)-b-D-glucuronopyranoside], 29-O-[b-D-glucopyranosyl-(1-&gt;2)-b-D-glucopyranosyl] ester	CC1OC(OC2C(O)C(OC3OC(C)C(O)C(O)C3O)C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(CCC6(C)CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3(C)C)C(O)=O)OC2CO)C(O)C(O)C1O	InChI=1S/C66H106O32/c1-24-34(70)38(74)44(80)54(87-24)93-48-30(23-69)91-57(52(47(48)83)96-55-45(81)39(75)35(71)25(2)88-55)97-51-43(79)42(78)49(53(84)85)94-59(51)92-33-13-14-64(7)31(61(33,3)4)12-15-66(9)32(64)11-10-26-27-20-63(6,17-16-62(27,5)18-19-65(26,66)8)60(86)98-58-50(41(77)37(73)29(22-68)90-58)95-56-46(82)40(76)36(72)28(21-67)89-56/h10,24-25,27-52,54-59,67-83H,11-23H2,1-9H3,(H,84,85)
HMDB39286	1-O-Galloylfructose	OCC(O)C(O)C(O)C(=O)COC(=O)C1=CC(O)=C(O)C(O)=C1.OCC1OC(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O.OC1COC(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/3C13H16O10/c14-6-1-5(2-7(15)9(6)17)12(20)22-4-13(21)11(19)10(18)8(16)3-23-13;14-3-8-10(18)11(19)13(21,23-8)4-22-12(20)5-1-6(15)9(17)7(16)2-5;14-3-8(17)11(20)12(21)9(18)4-23-13(22)5-1-6(15)10(19)7(16)2-5/h2*1-2,8,10-11,14-19,21H,3-4H2;1-2,8,11-12,14-17,19-21H,3-4H2
HMDB39287	Theogallin	OC1CC(O)(CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O)C(O)=O	InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)
HMDB39284	4'-O-Galloylsucrose	OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1	InChI=1S/C19H26O15/c20-3-9-12(26)13(27)14(28)18(31-9)34-19(5-22)16(29)15(10(4-21)33-19)32-17(30)6-1-7(23)11(25)8(24)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2
HMDB39285	6'-O-Galloylsucrose	OCC1OC(OC2(CO)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C(O)C(O)C1O	InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(5-21)16(29)13(26)10(33-19)4-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2
HMDB39282	6-O-Galloylsucrose	OCC1OC(CO)(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O	InChI=1S/C19H26O15/c20-3-9-13(26)16(29)19(5-21,33-9)34-18-15(28)14(27)12(25)10(32-18)4-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2
HMDB39283	1'-O-Galloylsucrose	OCC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(16(29)13(26)10(4-21)33-19)5-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2
HMDB39280	Medicoside I	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C52H84O22/c1-47(2)13-15-52(46(66)74-43-39(65)36(62)34(60)27(18-53)69-43)16-14-50(5)23(24(52)17-47)7-8-30-48(3)11-10-31(49(4,22-55)29(48)9-12-51(30,50)6)71-44-40(33(59)26(57)21-68-44)73-45-41(37(63)35(61)28(19-54)70-45)72-42-38(64)32(58)25(56)20-67-42/h7,24-45,53-65H,8-22H2,1-6H3
HMDB39281	2-O-Galloylsucrose	OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O	InChI=1S/C19H26O15/c20-3-9-12(26)14(28)15(32-17(30)6-1-7(23)11(25)8(24)2-6)18(31-9)34-19(5-22)16(29)13(27)10(4-21)33-19/h1-2,9-10,12-16,18,20-29H,3-5H2
HMDB44573	TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,41,44,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,44-41-
HMDB28828	Glutamyl-Serine	NC(CO)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C8H14N2O6/c9-4(3-11)7(14)10-5(8(15)16)1-2-6(12)13/h4-5,11H,1-3,9H2,(H,10,14)(H,12,13)(H,15,16)/p-1
HMDB28829	Glutamyl-Threonine	CC(O)C(N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C9H16N2O6/c1-4(12)7(10)8(15)11-5(9(16)17)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1
HMDB28820	Glutamyl-Hydroxyproline	OC1CNC(C1)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C10H16N2O6/c13-5-3-7(11-4-5)9(16)12-6(10(17)18)1-2-8(14)15/h5-7,11,13H,1-4H2,(H,12,16)(H,14,15)(H,17,18)/p-1
HMDB28821	Glutamyl-Histidine	NC(CC1=CN=CN1)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/p-1
HMDB28822	Glutamyl-Isoleucine	CCC(C)C(N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1
HMDB28823	Glutamyl-Leucine	CC(C)CC(N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C11H20N2O5/c1-6(2)5-7(12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1
HMDB28824	Glutamyl-Lysine	NCCCCC(N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/p-1
HMDB28825	Glutamyl-Methionine	CSCCC(N)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C10H18N2O5S/c1-18-5-4-6(11)9(15)12-7(10(16)17)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/p-1
HMDB28826	Glutamyl-Phenylalanine	NC(CC1=CC=CC=C1)C(=O)NC(CCC(O)=O)C([O-])=O	InChI=1S/C14H18N2O5/c15-10(8-9-4-2-1-3-5-9)13(19)16-11(14(20)21)6-7-12(17)18/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)/p-1
HMDB28827	Glutamyl-Proline	OC(=O)CCC(NC(=O)C1CCCN1)C([O-])=O	InChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)/p-1
HMDB38889	2-Methyl-2-(methyldithio)propanal	CSSC(C)(C)C=O	InChI=1S/C5H10OS2/c1-5(2,4-6)8-7-3/h4H,1-3H3
HMDB38888	Castamollissin	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C(O)=CC(C=O)=C2)C(O)C1O	InChI=1S/C20H20O13/c21-5-7-1-9(22)15(26)12(2-7)32-20-18(29)17(28)16(27)13(33-20)6-31-19(30)8-3-10(23)14(25)11(24)4-8/h1-5,13,16-18,20,22-29H,6H2
HMDB44789	TG(18:0/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,26,30,36,39,56H,4-16,18-19,21-25,27-29,31-35,37-38,40-55H2,1-3H3/b20-17-,30-26-,39-36-
HMDB42802	TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,32,35-36,39,54H,4-7,9-10,12-15,18,21-23,27,31,33-34,37-38,40-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-
HMDB38883	Sambacin	C\C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C2\C\1=C/C(=O)OCC1C(C)C(CC1C(C)CO)OC2=O	InChI=1S/C26H36O12/c1-4-13-15-6-20(29)34-9-16-12(3)18(5-14(16)11(2)7-27)36-24(33)17(15)10-35-25(13)38-26-23(32)22(31)21(30)19(8-28)37-26/h4,6,10-12,14,16,18-19,21-23,25-28,30-32H,5,7-9H2,1-3H3/b13-4+,15-6-
HMDB38882	5-O-beta-D-Xylopyranosyl-L-arabinose	OC(COC1OCC(O)C(O)C1O)C(O)C(O)C=O.OC1OC(COC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/2C10H18O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4;11-1-4(12)7(15)5(13)2-18-10-9(17)8(16)6(14)3-19-10/h3-16H,1-2H2;1,4-10,12-17H,2-3H2
HMDB38881	2-O-b-D-Xylopyranosyl-L-arabinose	OCC(O)C(O)C(OC1OCC(O)C(O)C1O)C=O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C1O.OC1COC(OC2C(O)OCC(O)C2O)C(O)C1O	InChI=1S/3C10H18O9/c11-3-2-18-10(7(15)5(3)13)19-8-6(14)4(12)1-17-9(8)16;11-1-4-6(14)8(9(16)18-4)19-10-7(15)5(13)3(12)2-17-10;11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h2*3-16H,1-2H2;2,4-11,13-17H,1,3H2
HMDB38880	5-O-a-L-Arabinofuranosyl-L-arabinose	OCC1OC(OCC(O)C(O)C(O)C=O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C2O)C(O)C1O	InChI=1S/2C10H18O9/c11-1-3-5(12)8(15)10(19-3)17-2-4-6(13)7(14)9(16)18-4;11-1-4(13)7(15)5(14)3-18-10-9(17)8(16)6(2-12)19-10/h3-16H,1-2H2;1,4-10,12-17H,2-3H2
HMDB38887	Glucoemodin	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(OC3OC(CO)C(O)C(O)C3O)C=C1O)C2=O	InChI=1S/C21H20O10/c1-7-2-9-14(11(23)3-7)18(27)15-10(16(9)25)4-8(5-12(15)24)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3
HMDB38886	Mabioside A	CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(=O)OC(CC=C(C)C)C6(C)OC(OC6OC(CO)C(O)C(O)C6O)C54C)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C48H78O19/c1-20(2)10-13-28-48(9)29(39(59)64-28)22-11-12-26-45(6)16-15-27(65-41-37(57)35(55)32(52)24(63-41)19-60-40-36(56)33(53)30(50)21(3)61-40)44(4,5)25(45)14-17-46(26,7)47(22,8)43(67-48)66-42-38(58)34(54)31(51)23(18-49)62-42/h10,21-38,40-43,49-58H,11-19H2,1-9H3
HMDB38885	Trilobinone	CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C(=O)C2O	InChI=1S/C20H28O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,16,18,21-22H,6-8H2,1-5H3
HMDB38884	Phomopsin B	CC\C(C)=C(\NC(=O)C1C=CCN1C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)C2=CC(OC1(C)CC)=C(O)C=C2)C(C)=C)C(=O)N\C(=C\C(O)=O)C(O)=O	InChI=1S/C36H46N6O12/c1-8-18(5)26(32(49)38-20(35(52)53)16-24(44)45)40-30(47)21-11-10-14-42(21)34(51)29-36(6,9-2)54-23-15-19(12-13-22(23)43)28(46)27(37-7)33(50)39-25(17(3)4)31(48)41-29/h10-13,15-16,21,25,27-29,37,43,46H,3,8-9,14H2,1-2,4-7H3,(H,38,49)(H,39,50)(H,40,47)(H,41,48)(H,44,45)(H,52,53)/b20-16+,26-18+
HMDB33709	Desglucocoroloside	CC1OC(CC(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1	InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3
HMDB33708	Cyclomammein; 1'-Hydroperoxide	CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C3CC(OC3=C12)C(C)(C)OO	InChI=1S/C22H28O7/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)29-26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
HMDB36959	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)]-4-O-acetyl-b-D-fucop	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C73H114O38/c1-25-38(80)42(84)47(89)61(98-25)106-54-51(93)55(59(94)95)107-66(57(54)109-64-49(91)44(86)41(83)33(22-75)103-64)104-37-14-15-69(7)34(70(37,8)24-76)13-16-71(9)35(69)12-11-29-30-19-68(5,6)17-18-73(30,36(79)20-72(29,71)10)67(96)111-65-58(110-62-50(92)45(87)52(26(2)99-62)105-60-46(88)39(81)31(78)23-97-60)56(53(27(3)100-65)101-28(4)77)108-63-48(90)43(85)40(82)32(21-74)102-63/h11,24-27,30-58,60-66,74-75,78-93H,12-23H2,1-10H3,(H,94,95)
HMDB36958	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)-a-L-rhamnopyranosyl-(1-&gt;2)]-4-O-acetyl-b-D-fucopyr	CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O	InChI=1S/C72H112O38/c1-25-51(104-59-45(87)38(80)30(77)22-96-59)44(86)49(91)61(98-25)109-57-55(107-62-47(89)42(84)40(82)32(20-73)101-62)52(100-27(3)76)26(2)99-64(57)110-66(95)72-17-16-67(4,5)18-29(72)28-10-11-35-68(6)14-13-37(69(7,24-75)34(68)12-15-70(35,8)71(28,9)19-36(72)79)103-65-56(108-63-48(90)43(85)41(83)33(21-74)102-63)53(50(92)54(106-65)58(93)94)105-60-46(88)39(81)31(78)23-97-60/h10,24-26,29-57,59-65,73-74,77-92H,11-23H2,1-9H3,(H,93,94)
HMDB36953	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[6-O-acetyl-b-D-glucopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamn	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(COC(C)=O)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C81H126O44/c1-27-42(89)47(94)52(99)68(110-27)119-60-56(103)62(66(105)106)121-74(64(60)123-70-54(101)49(96)45(92)36(23-83)115-70)117-41-15-16-77(8)38(78(41,9)26-84)14-17-79(10)39(77)13-12-32-33-20-76(6,7)18-19-81(33,40(88)21-80(32,79)11)75(107)125-73-65(63(59(29(3)112-73)113-31(5)86)122-71-55(102)50(97)46(93)37(116-71)25-108-30(4)85)124-72-57(104)61(120-69-53(100)48(95)44(91)35(22-82)114-69)58(28(2)111-72)118-67-51(98)43(90)34(87)24-109-67/h12,26-29,33-65,67-74,82-83,87-104H,13-25H2,1-11H3,(H,105,106)
HMDB36952	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[6-O-acetyl-b-D-glucopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnop	CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(COC(C)=O)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OCC(O)C(O)C1O	InChI=1S/C80H124O44/c1-27-57(117-66-50(97)42(89)33(86)23-108-66)60(119-68-52(99)47(94)44(91)35(21-81)113-68)56(103)71(110-27)123-64-62(121-70-54(101)49(96)46(93)37(115-70)25-107-29(3)84)58(112-30(4)85)28(2)111-72(64)124-74(106)80-18-17-75(5,6)19-32(80)31-11-12-39-76(7)15-14-41(77(8,26-83)38(76)13-16-78(39,9)79(31,10)20-40(80)88)116-73-63(122-69-53(100)48(95)45(92)36(22-82)114-69)59(55(102)61(120-73)65(104)105)118-67-51(98)43(90)34(87)24-109-67/h11,26-28,32-64,66-73,81-82,86-103H,12-25H2,1-10H3,(H,104,105)
HMDB36951	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnopyranosyl-	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C79H124O43/c1-26-40(87)45(92)50(97)66(107-26)116-58-54(101)60(64(103)104)118-72(62(58)120-69-53(100)48(95)44(91)35(23-82)113-69)114-39-14-15-75(7)36(76(39,8)25-83)13-16-77(9)37(75)12-11-30-31-19-74(5,6)17-18-79(31,38(86)20-78(30,77)10)73(105)122-71-63(61(57(28(3)109-71)110-29(4)84)119-68-52(99)47(94)43(90)34(22-81)112-68)121-70-55(102)59(117-67-51(98)46(93)42(89)33(21-80)111-67)56(27(2)108-70)115-65-49(96)41(88)32(85)24-106-65/h11,25-28,31-63,65-72,80-82,85-102H,12-24H2,1-10H3,(H,103,104)
HMDB33702	Pinostrobin chalcone	COC1=CC(O)=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=C1	InChI=1S/C16H14O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b8-7+
HMDB36957	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[a-L-rhamnopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[a-L-rhamnopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnopyranosyl	CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O	InChI=1S/C79H124O42/c1-26-40(86)45(91)50(96)66(106-26)115-58-54(100)60(64(102)103)117-72(62(58)119-69-53(99)48(94)44(90)35(23-81)112-69)113-39-15-16-75(8)36(76(39,9)25-82)14-17-77(10)37(75)13-12-31-32-20-74(6,7)18-19-79(32,38(85)21-78(31,77)11)73(104)121-71-63(61(57(29(4)109-71)110-30(5)83)118-67-51(97)46(92)41(87)27(2)107-67)120-70-55(101)59(116-68-52(98)47(93)43(89)34(22-80)111-68)56(28(3)108-70)114-65-49(95)42(88)33(84)24-105-65/h12,25-29,32-63,65-72,80-81,84-101H,13-24H2,1-11H3,(H,102,103)
HMDB36956	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[a-L-rhamnopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-xylopyranosyl-(1-&gt;4)]-a-L-rhamnopyranosyl-(	CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O	InChI=1S/C78H122O42/c1-26-40(86)45(91)50(96)66(106-26)117-60-56(109-29(4)82)28(3)108-70(62(60)119-69-54(100)58(115-67-51(97)46(92)43(89)34(21-79)110-67)55(27(2)107-69)113-64-48(94)41(87)32(83)23-104-64)120-72(103)78-18-17-73(5,6)19-31(78)30-11-12-37-74(7)15-14-39(75(8,25-81)36(74)13-16-76(37,9)77(30,10)20-38(78)85)112-71-61(118-68-52(98)47(93)44(90)35(22-80)111-68)57(53(99)59(116-71)63(101)102)114-65-49(95)42(88)33(84)24-105-65/h11,25-28,31-62,64-71,79-80,83-100H,12-24H2,1-10H3,(H,101,102)
HMDB33707	Heliannuol E	CC1=C(O)C=C2C(CC(OC2=C1)C(C)(C)O)C=C	InChI=1S/C15H20O3/c1-5-10-7-14(15(3,4)17)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3
HMDB36954	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid; (3b,16a)-form, 3-O-[b-D-Galactopyranosyl-(1-&gt;2)-[b-D-xylopyranosyl-(1-&gt;3)]-b-D-glucuronopyranoside], 28-O-[b-D-glucopyranosyl-(1-&gt;3)-[b-D-glucopyranosyl-(1-&gt;3)-a-L-rhamnopyranosyl-(1-&gt;2)]-4-O-acetyl-b-D-fucopy	CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/C73H114O39/c1-25-38(81)53(106-61-47(90)43(86)40(83)31(20-74)102-61)51(94)64(99-25)111-58-56(109-62-48(91)44(87)41(84)32(21-75)103-62)52(101-27(3)78)26(2)100-65(58)112-67(97)73-17-16-68(4,5)18-29(73)28-10-11-35-69(6)14-13-37(70(7,24-77)34(69)12-15-71(35,8)72(28,9)19-36(73)80)105-66-57(110-63-49(92)45(88)42(85)33(22-76)104-63)54(50(93)55(108-66)59(95)96)107-60-46(89)39(82)30(79)23-98-60/h10,24-26,29-58,60-66,74-76,79-94H,11-23H2,1-9H3,(H,95,96)
HMDB39428	2-Methoxy-3-(4-methoxyphenyl)propanoic acid	COC(CC1=CC=C(OC)C=C1)C(O)=O	InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(15-2)11(12)13/h3-6,10H,7H2,1-2H3,(H,12,13)
HMDB39429	Canavalmine	NCCCCNCCCNCCCCN	InChI=1S/C11H28N4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h14-15H,1-13H2
HMDB42803	TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,32,35-36,39,41,44,54H,4-7,9-10,12-15,18,21-23,27,31,33-34,37-38,40,42-43,45-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,39-36-,44-41-
HMDB39422	Graecunin D	C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)C[NH3+])[C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(O)=O	InChI=1S/C48H63N11O18/c1-23(60)40(46(75)51-21-36(64)57-41(24(2)61)47(76)55-32(42(71)52-22-39(69)70)17-26-20-50-29-7-4-3-6-28(26)29)58-43(72)30(13-14-37(65)66)54-45(74)34-8-5-15-59(34)48(77)33(18-38(67)68)56-44(73)31(53-35(63)19-49)16-25-9-11-27(62)12-10-25/h3-4,6-7,9-12,20,23-24,30-34,40-41,50,60-62H,5,8,13-19,21-22,49H2,1-2H3,(H,51,75)(H,52,71)(H,53,63)(H,54,74)(H,55,76)(H,56,73)(H,57,64)(H,58,72)(H,65,66)(H,67,68)(H,69,70)/p+1/t23-,24-,30+,31+,32+,33+,34+,40+,41+/m1/s1
HMDB39423	N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine	CC(=O)NCCCC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
HMDB39420	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[a-L-Arabinopyranosyl-(1-&gt;2)-6-O-methyl-b-D-glucuronopyranoside], 28-O-b-D-glucopyranosyl ester	COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-35(57)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-37(33(55)32(54)36(64-41)38(58)60-8)65-39-34(56)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3
HMDB39421	Fenugreekine	NC(=O)C1=NC(=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O	InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1
HMDB39426	3-Isoxazolidinone	O=C1CCON1	InChI=1S/C3H5NO2/c5-3-1-2-6-4-3/h1-2H2,(H,4,5)
HMDB39427	2-Hydroxy-3-(4-methoxyphenyl)propanoic acid	COC1=CC=C(CC(O)C(O)=O)C=C1	InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
HMDB39424	(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O	InChI=1S/C14H23N3O8S/c1-26-6-9(14(24)25)17-11(19)5-3-8(13(22)23)16-10(18)4-2-7(15)12(20)21/h7-9H,2-6,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)
HMDB39425	(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one	CCC(\C=C\C(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25,27,31H,7,10-15,17H2,1-6H3/b9-8+
HMDB31639	Glycerol 1-propanoate	CCC(=O)OCC(O)CO	InChI=1S/C6H12O4/c1-2-6(9)10-4-5(8)3-7/h5,7-8H,2-4H2,1H3
HMDB31638	Pentyl propanoate	CCCCCOC(=O)CC	InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
HMDB31636	(E)-1-Propene-1-sulfenic acid	C\C=C\SO	InChI=1S/C3H6OS/c1-2-3-5-4/h2-4H,1H3/b3-2+
HMDB31635	2-Propene-1-thiol	SCC=C	InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2
HMDB31634	2-Propanethiol	CC(C)S	InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
HMDB31633	Orientanol B	COC1=C(CC=C(C)C)C=C2C3OC4=C(C=CC(O)=C4)C3COC2=C1	InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3
HMDB31632	1,3-Propanedithiol	SCCCS	InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
HMDB31631	1,2-Propanedithiol	CC(S)CS	InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3
HMDB31630	Propane	CCC	InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
HMDB44255	TG(16:0/18:2(9Z,12Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h19-20,22-23,26-27,51H,4-18,21,24-25,28-50H2,1-3H3/b22-19-,23-20-,27-26-
HMDB44254	TG(16:0/18:2(9Z,12Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18-19,22,25-26,49H,4-14,16-17,20-21,23-24,27-48H2,1-3H3/b18-15-,22-19-,26-25-
HMDB44257	TG(16:0/18:2(9Z,12Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,22,26-29,53H,4-18,20-21,23-25,30-52H2,1-3H3/b22-19-,28-26-,29-27-
HMDB44256	TG(16:0/18:2(9Z,12Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19-20,22-23,27,29,53H,4-18,21,24-26,28,30-52H2,1-3H3/b22-19-,23-20-,29-27-
HMDB44250	TG(16:0/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,22,27,29,53H,4-18,20-21,23-26,28,30-52H2,1-3H3/b22-19-,29-27-
HMDB44253	TG(16:0/18:2(9Z,12Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h20,23,28,34,59H,4-19,21-22,24-27,29-33,35-58H2,1-3H3/b23-20-,34-28-
HMDB44252	TG(16:0/18:2(9Z,12Z)/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-28-26-23-20-17-14-11-8-5-2/h20,23,28,32,57H,4-19,21-22,24-27,29-31,33-56H2,1-3H3/b23-20-,32-28-
HMDB44259	TG(16:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-28-26-23-20-17-14-11-8-5-2/h20,23,25,27-28,30-31,33,39,42,55H,4-19,21-22,24,26,29,32,34-38,40-41,43-54H2,1-3H3/b23-20-,27-25-,30-28-,33-31-,42-39-
HMDB37837	2-Ethyl-4-methyloxazole	CCC1=NC(C)=CO1	InChI=1S/C6H9NO/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
HMDB38716	Pavetannin A2	[H]OC1=C([H])C(O[H])=C2C(O[C@@]3(OC4=C([H])C(O[H])=C5C(O[C@]([H])(C6=C([H])C([H])=C(O[H])C(O[H])=C6[H])[C@@]([H])(O[H])C5([H])[H])=C4[C@@]2([H])[C@]3([H])O[H])C2=C([H])C([H])=C(O[H])C(O[H])=C2[H])=C1[H]	InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1
HMDB42958	TG(14:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-
HMDB42959	TG(14:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,33,36,42,45,55H,4-6,8-9,11-15,17-18,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,36-33-,45-42-
HMDB42954	TG(14:0/o-18:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H98O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,51H,4-7,9-10,12-16,18-19,21-24,26,28-50H2,1-3H3/b11-8-,20-17-,27-25-
HMDB42955	TG(14:0/o-18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,51H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,20-17-,27-25-,35-32-
HMDB42956	TG(14:0/o-18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-
HMDB42957	TG(14:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,37,40,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,40-37-
HMDB42950	TG(14:0/o-18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,37,40,53H,4-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b19-16-,26-24-,31-29-,40-37-
HMDB42951	TG(14:0/o-18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,55H,4-15,17-18,20-23,25,27-54H2,1-3H3/b19-16-,26-24-
HMDB42952	TG(14:0/o-18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-
HMDB42953	TG(14:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,33,36,42,45,55H,4-15,17-18,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,26-24-,30-29-,36-33-,45-42-
HMDB58038	CL(18:1(11Z)/18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-27,30-31,33,36-37,41-42,46,54,58,77-79,84H,5-20,22-24,28-29,32,34-35,38-40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,31-27-,37-33-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
HMDB37770	Neopellitorine A	CC#CC#CC\C=C\C=C\C(=O)NCC(C)C	InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h9-12,14H,8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+
HMDB29880	Neotrehalose	OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2
HMDB37772	8-Acetylegelolide	CC1C2C(OC1=O)C1=C(C)OC=C1C(C)(O)CC2OC(C)=O	InChI=1S/C16H20O6/c1-7-12-11(21-9(3)17)5-16(4,19)10-6-20-8(2)13(10)14(12)22-15(7)18/h6-7,11-12,14,19H,5H2,1-4H3
HMDB29882	Sakebiose	OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C=O.OCC(O)C1OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	InChI=1S/3C12H22O11/c13-1-3(15)9-10(8(19)11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12;13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2*3-20H,1-2H2;2,4-13,15-21H,1,3H2
HMDB37774	Coriandrone A	COC1=C2CC(OC2=C2C(=O)OC(C)CC2=C1)C(C)(C)O	InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(16(2,3)18)21-14(10)13(9)15(17)20-8/h6,8,12,18H,5,7H2,1-4H3
HMDB37775	Coriandrone B	COC1=C2CC(O)C(C)(C)OC2=C2C(=O)OC(C)CC2=C1	InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(17)16(2,3)21-14(10)13(9)15(18)20-8/h6,8,12,17H,5,7H2,1-4H3
HMDB37776	5,9:6,9-Diepoxy-3-megastigmene	CC12CCC3(O1)C(C)(O2)C=CCC3(C)C	InChI=1S/C13H20O2/c1-10(2)6-5-7-11(3)13(10)9-8-12(4,14-11)15-13/h5,7H,6,8-9H2,1-4H3
HMDB37777	2-Isopropyl-1,4-hexadiene	C\C=C\CC(=C)C(C)C	InChI=1S/C9H16/c1-5-6-7-9(4)8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+
HMDB37778	Ganoderiol I	COC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)C(O)CC(C(C)CCC=C(CO)CO)C1(C)CC2	InChI=1S/C31H50O5/c1-19(9-8-10-20(17-32)18-33)22-15-26(35)31(6)27-21(11-14-30(22,31)5)29(4)13-12-25(34)28(2,3)24(29)16-23(27)36-7/h10,19,22-24,26,32-33,35H,8-9,11-18H2,1-7H3
HMDB37779	Ganoderiol E	CC(CCC=C(CO)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O	InChI=1S/C30H48O4/c1-19(8-7-9-20(17-31)18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h9,19,21,24-25,31-32,34H,7-8,10-18H2,1-6H3
HMDB42403	TG(14:0/20:1(11Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30,32,38,41,54H,4-23,28-29,31,33-37,39-40,42-53H2,1-3H3/b26-24-,27-25-,32-30-,41-38-
HMDB14264	Tetrahydrofolic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1	InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1
HMDB14266	S-Adenosylmethionine	C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1
HMDB14261	Cetrorelix	CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O	InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1
HMDB14260	Desmopressin	NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O	InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
HMDB14263	Cyanocobalamin	OC[C@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(=O)O[C@]([H])(C)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co]C#N)\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N)N1C=NC2=CC(C)=C(C)C=C12	InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+1/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
HMDB14262	Octreotide	C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N1	InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29?,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
HMDB57388	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81?,82-,83-/m1/s1
HMDB08239	PC(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H74NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26,28,42H,6-7,12-13,18-19,24-25,27,29-41H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-/t42-/m1/s1
HMDB03466	L-Gulonolactone	[H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO	InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1
HMDB08237	PC(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,42H,6-7,9,11-13,18-19,24-25,27,29-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-/t42-/m1/s1
HMDB08236	PC(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,42H,6-7,9,11-13,15,17-19,24-25,27,29-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-/t42-/m1/s1
HMDB08235	PC(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,26,28,42H,6-7,9,11-13,15,18,21,23-25,27,29-41H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,28-26-/t42-/m1/s1
HMDB08234	PC(18:4(6Z,9Z,12Z,15Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,42H,6-7,9,11-13,15,17-19,21,23-25,27,29-41H2,1-5H3/b10-8-,16-14-,22-20-,28-26-/t42-/m1/s1
HMDB08233	PC(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,24,26,40H,6-7,9,11-13,15,18,22-23,25,27-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,26-24-/t40-/m1/s1
HMDB08232	PC(18:4(6Z,9Z,12Z,15Z)/16:0)	CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,24,26,40H,6-7,9,11-13,15,17-19,22-23,25,27-39H2,1-5H3/b10-8-,16-14-,21-20-,26-24-/t40-/m1/s1
HMDB08231	PC(18:4(6Z,9Z,12Z,15Z)/15:0)	CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C41H74NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,24-25,39H,6-7,9,11-13,15,17-19,22-23,26-38H2,1-5H3/b10-8-,16-14-,21-20-,25-24-/t39-/m1/s1
HMDB08230	PC(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C40H70NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h8,10,13-16,19-20,23-24,38H,6-7,9,11-12,17-18,21-22,25-37H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,24-23-/t38-/m1/s1
HMDB03464	4-Guanidinobutanoic acid	NC(N)=NCCCC(O)=O	InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
HMDB59318	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-69,71-72,89-91,96H,5-10,12-14,16-20,29-32,41-43,47,51-52,54,61,63-64,66,70,73-88H2,1-4H3,(H,101,102)(H,103,104)/b15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-/t89?,90-,91-/m1/s1
HMDB47317	TG(24:0/22:1(13Z)/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,70H,4-26,28-29,31-69H2,1-3H3/b30-27-
HMDB47316	TG(24:0/20:3(5Z,8Z,11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26,29,38,41,47,50,63H,4-25,27-28,30-37,39-40,42-46,48-49,51-62H2,1-3H3/b29-26-,41-38-,50-47-
HMDB47319	TG(24:0/22:1(13Z)/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,62H,4-20,22-23,25,27,29-61H2,1-3H3/b24-21-,28-26-
HMDB59319	CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C95H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h11,15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-10,12-14,16-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89?,90-,91-/m1/s1
HMDB47318	TG(24:0/22:1(13Z)/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,60H,4-14,16-17,19-24,26,28-59H2,1-3H3/b18-15-,27-25-
HMDB42400	TG(14:0/20:1(11Z)/18:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h20,23-24,26,52H,4-19,21-22,25,27-51H2,1-3H3/b23-20-,26-24-
HMDB34948	Rebaudioside D	CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3
HMDB34949	Rebaudioside B	CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(O)=O	InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)
HMDB34942	Geniposidic acid	OCC1OC(OC2OC=C(C3CC=C(CO)C23)C(O)=O)C(O)C(O)C1O	InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)
HMDB34943	Sesquisabinene	CC(CCC=C(C)C)C12CC1C(=C)CC2	InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3
HMDB34940	alpha-Santal-10-en-12-ol	C\C(CO)=C\CCC1(C)C2CC3C(C2)C13C	InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-
HMDB34941	Artabsinolide D	CC1C2CCC(C)(O)C3=C(C2OC1=O)C(C)(O)CC3O	InChI=1S/C15H22O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-9,12,16,18-19H,4-6H2,1-3H3
HMDB34946	Rebaudioside E	CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(30(55)26(51)20(14-47)62-38)64-36-32(57)28(53)24(49)18(12-45)60-36)23(43)6-10-44(17,16-43)67-39-35(31(56)27(52)21(15-48)63-39)65-37-33(58)29(54)25(50)19(13-46)61-37/h18-39,45-58H,1,4-16H2,2-3H3
HMDB34947	Rebaudioside C	CC1OC(OC2C(OC34CC5(CC3=C)CCC3C(C)(CCCC3(C)C(=O)OC3OC(CO)C(O)C(O)C3O)C5CC4)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3
HMDB34944	Siderol	CC(=O)OC1CC2C(C)(CO)CCCC2(C)C2CCC3CC12C=C3C	InChI=1S/C22H34O3/c1-14-11-22-12-16(14)6-7-17(22)21(4)9-5-8-20(3,13-23)18(21)10-19(22)25-15(2)24/h11,16-19,23H,5-10,12-13H2,1-4H3
HMDB34945	Stevioside	CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3
HMDB30421	3,7-Dimethyl-1,6-octadien-3-ol; (x)-form, O-[a-L-Arabinofuranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C	InChI=1S/C21H36O10/c1-5-21(4,8-6-7-11(2)3)31-20-18(27)16(25)15(24)13(30-20)10-29-19-17(26)14(23)12(22)9-28-19/h5,7,12-20,22-27H,1,6,8-10H2,2-4H3
HMDB30420	Strobilurin A	CO\C=C(\C(\C)=C\C=C/C1=CC=CC=C1)/C(=O)OC	InChI=1S/C16H18O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-12H,1-3H3/b11-7-,13-8+,15-12-
HMDB30423	28-Homobrassinolide	CCC(C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3
HMDB30422	3,7-Dimethyl-1,6-octadien-3-ol; (x)-form, O-[a-L-Rhamnopyranosyl-(1-&gt;6)-b-D-glucopyranoside]	CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C=C)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C22H38O10/c1-6-22(5,9-7-8-11(2)3)32-21-19(28)17(26)15(24)13(31-21)10-29-20-18(27)16(25)14(23)12(4)30-20/h6,8,12-21,23-28H,1,7,9-10H2,2-5H3
HMDB30425	Linalyl propionate	CCC(=O)OC(C)(CCC=C(C)C)C=C	InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3
HMDB30424	Linalyl formate	CC(C)=CCCC(C)(OC=O)C=C	InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3
HMDB45502	TG(20:0/14:0/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
HMDB30427	Linalyl butyrate	CCCC(=O)OC(C)(CCC=C(C)C)C=C	InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
HMDB45503	TG(20:0/15:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
HMDB30426	Linalyl isobutyrate	CC(C)C(=O)OC(C)(CCC=C(C)C)C=C	InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
HMDB45500	TG(20:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,35,38,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,38-35-
HMDB45501	TG(20:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,35,38,43,46,56H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-34,36-37,39-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,38-35-,46-43-
HMDB15619	Sulfathiazole	NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1	InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
HMDB15618	Sertindole	FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2	InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
HMDB15617	Sodium stibogluconate	O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO	InChI=1S/2C6H9O7.3Na.10H2O.2O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;10*1H2;;;;/q2*-3;3*+1;;;;;;;;;;;;-1;+3;+4/p-3/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1
HMDB15616	Telaprevir	[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1	InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
HMDB15615	Rotigotine	CCCN(CCC1=CC=CS1)C1CCC2=C(C1)C=CC=C2O	InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
HMDB15614	Ibudilast	CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C	InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
HMDB15613	Ecabet	[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O	InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1
HMDB15612	Gallium nitrate	[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O	InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1
HMDB15611	Methsuximide	CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1	InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3
HMDB15610	Silver sulfadiazine	[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1	InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1
HMDB45504	TG(20:0/15:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
HMDB45505	TG(20:0/15:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3
HMDB29319	1-Methoxyphaseollidin	COC1=C2C3OC4=C(C=CC(O)=C4CC=C(C)C)C3COC2=CC(O)=C1	InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3
HMDB29318	Caffeoylmalic acid	OC(=O)CC(OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O	InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+
HMDB29311	Deltonin	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3
HMDB29310	Collettiside I	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3
HMDB29313	Canescein	CC1OC(OC2CCC3(C=O)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O	InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3
HMDB29312	Ophiopogonin C'	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1	InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3
HMDB29315	Asparagoside B	CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O	InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3
HMDB29314	Isopentenyl acetate	CC(C)=CCOC(C)=O	InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
HMDB29317	Angelicolide	CCCC1C(CCC)C2(OC(=O)C3=C2CCC=C3)C11OC(=O)C2=C1CCC=C2	InChI=1S/C24H28O4/c1-3-9-19-20(10-4-2)24(18-14-8-6-12-16(18)22(26)28-24)23(19)17-13-7-5-11-15(17)21(25)27-23/h5-6,11-12,19-20H,3-4,7-10,13-14H2,1-2H3
HMDB29316	(3beta,5alpha)-Ergosta-7,23-dien-3-ol	CC(C)C(\C)=C\CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,10,18,20-22,24-26,29H,8-9,11-17H2,1-6H3/b19-7+
HMDB53637	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C64H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-37-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32,34,36,39-40,43,45,48-49,52,61H,4-6,9,12-14,21-23,30-31,33,35,37-38,41-42,44,46-47,50-51,53-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,39-36-,43-40-,48-45-,52-49-
HMDB45807	TG(20:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17-18,20-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-
HMDB53635	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,38-39,41-42,47,50,59H,4-6,8,11,13,15,20,22,24,29-30,34-37,40,43-46,48-49,51-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,42-39-,50-47-
HMDB53634	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,14,16-19,21,23,25-28,31-33,38,41,47,50,59H,4-6,8,11,13,15,20,22,24,29-30,34-37,39-40,42-46,48-49,51-58H2,1-3H3/b10-7-,12-9-,17-14-,19-16-,21-18-,26-23-,28-25-,32-31-,33-27-,41-38-,50-47-
HMDB53633	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,33-36,41-42,44-45,50-51,53-54,63H,4-7,9-10,12-14,21-23,30-32,37-40,43,46-49,52,55-62H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,53-50-,54-51-
HMDB53632	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,33-36,41-42,44-45,51,54,63H,4-7,9-10,12-14,21-23,30-32,37-40,43,46-50,52-53,55-62H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,54-51-
HMDB53631	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,15-20,24-29,34,36,42,45,51,54,63H,4-7,9-10,12-14,21-23,30-33,35,37-41,43-44,46-50,52-53,55-62H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,36-34-,45-42-,54-51-
HMDB45806	TG(20:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,32,35,38,40-41,43,47,50,62H,4-15,17-18,20-24,26,29,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b19-16-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-
HMDB45805	TG(20:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,38,41,47,50,62H,4-15,17-18,20-24,26,29,31-37,39-40,42-46,48-49,51-61H2,1-3H3/b19-16-,28-25-,30-27-,41-38-,50-47-
HMDB53639	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,33-36,41-42,44-45,50-51,53-54,63H,4-6,9,12-14,21-23,30-32,37-40,43,46-49,52,55-62H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,53-50-,54-51-
HMDB53638	TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C66H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,33-36,41-42,44-45,51,54,63H,4-6,9,12-14,21-23,30-32,37-40,43,46-50,52-53,55-62H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,35-33-,36-34-,44-41-,45-42-,54-51-
HMDB37838	4-Ethyl-2-methyloxazole	CCC1=COC(C)=N1	InChI=1S/C6H9NO/c1-3-6-4-8-5(2)7-6/h4H,3H2,1-2H3
HMDB45804	TG(20:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,36-37,39,43,45-46,48,60H,4-15,17-18,20-24,26,29,31-33,35,38,40-42,44,47,49-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,39-36-,46-43-,48-45-
HMDB45803	TG(20:0/20:3(5Z,8Z,11Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,34,36-37,39,45,48,60H,4-15,17-18,20-24,26,29,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,39-36-,48-45-
HMDB45802	TG(20:0/20:3(5Z,8Z,11Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,24,26-27,29,35,38,44,47,59H,4-14,16-17,19-23,25,28,30-34,36-37,39-43,45-46,48-58H2,1-3H3/b18-15-,27-24-,29-26-,38-35-,47-44-
HMDB51412	TG(22:1(13Z)/14:0/20:2n6)	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,55H,4-13,15-16,18-22,27-54H2,1-3H3/b17-14-,25-23-,26-24-
HMDB45801	TG(20:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,32,34,37-38,41,43,46,58H,4-17,19-20,22-25,28,30-31,33,35-36,39-40,42,44-45,47-57H2,1-3H3/b21-18-,29-26-,32-27-,37-34-,41-38-,46-43-
HMDB45800	TG(20:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,26,29-30,33,35,38,44,47,59H,4-20,22-23,25,27-28,31-32,34,36-37,39-43,45-46,48-58H2,1-3H3/b24-21-,29-26-,33-30-,38-35-,47-44-
HMDB55529	TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H94O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-45,49-50,52-53,62H,4-6,13-15,22-24,30-31,37-39,46-48,51,54-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,52-49-,53-50-
HMDB55528	TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,40-45,50,53,62H,4-6,13-15,22-24,30-31,37-39,46-49,51-52,54-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,45-42-,53-50-
HMDB11626	Dodecanol	CCCCCCCCCCCCO	InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
HMDB11627	Farnesylcysteine	N[C@@H](CSC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O	InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1
HMDB11624	Decyl alcohol	CCCCCCCCCCO	InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
HMDB11625	Dimethylarsinate	C[As](C)([O-])=O	InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
HMDB11622	D-Dopachrome	OC(=O)C1CC2=CC(=O)C(=O)C=C2N1	InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)
HMDB11623	Decanal	CCCCCCCCCC=O	InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
HMDB06354	Deoxythymidine diphosphate-l-rhamnose	C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15?/m0/s1
HMDB11621	Cinnamoylglycine	OC(=O)CNC(=O)\C=C\C1=CC=CC=C1	InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+
HMDB55770	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-38,41-43,45-47,50,64H,4-6,8,11,13-15,22-24,31-32,35,39-40,44,48-49,51-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-
HMDB55771	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-38,41-43,45-47,50-51,54,64H,4-6,8,11,13-15,22-24,31-32,35,39-40,44,48-49,52-53,55-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-
HMDB55772	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,48-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-
HMDB55773	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,16-21,25-30,32,35-37,39-41,44-46,48-50,53,62H,4-7,10,13-15,22-24,31,33-34,38,42-43,47,51-52,54-61H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,49-46-,53-50-
HMDB55774	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-38,41-43,45-47,50,52,55,64H,4-6,8,11,13-15,22-24,31-32,35,39-40,44,48-49,51,53-54,56-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,55-52-
HMDB55775	TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-38,41-43,45-47,50-52,54-55,64H,4-6,8,11,13-15,22-24,31-32,35,39-40,44,48-49,53,56-63H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,50-47-,54-51-,55-52-
HMDB11628	Glycyrrhetinic acid	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O	InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19?,21?,22-,23?,26+,27-,28-,29+,30+/m0/s1
HMDB11629	Guanosine 2',3'-cyclic phosphate	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12	InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
HMDB55527	TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H92O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,38-40,42-44,47-48,51,60H,4-6,13-15,22-24,30,32,36-37,41,45-46,49-50,52-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-,51-48-
HMDB52458	TG(18:2(9Z,12Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h14,17,21,23-24,26,30,33,58H,4-13,15-16,18-20,22,25,27-29,31-32,34-57H2,1-3H3/b17-14-,24-21-,26-23-,33-30-
HMDB55526	TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H94O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,31,33-35,38-40,42-43,48,51,60H,4-6,13-15,22-24,30,32,36-37,41,44-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,51-48-
HMDB52459	TG(18:2(9Z,12Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,30,33-34,37,59H,4-15,17-18,20,22-23,26-27,29,31-32,35-36,38-58H2,1-3H3/b19-16-,24-21-,28-25-,33-30-,37-34-
HMDB57608	CL(16:1(9Z)/18:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-39,44,48,56,60,75-77,82H,5-20,22-24,26,29-30,36,40-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-,60-56-/t75?,76-,77-/m1/s1
HMDB57609	CL(16:1(9Z)/18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)97-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,27-28,31-35,37-39,44,48,75-77,82H,5-8,10-12,14-20,22-24,26,29-30,36,40-43,45-47,49-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,31-27-,32-28-,35-33-,38-37-,39-34-,48-44-/t75?,76-,77-/m1/s1
HMDB57606	CL(16:1(9Z)/18:1(9Z)/16:1(9Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C78H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-78(83)95-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)71-93-97(86,87)91-67-72(79)66-90-96(84,85)92-70-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25,27-29,31-32,34-37,72-74,79H,5-24,26,30,33,38-71H2,1-4H3,(H,84,85)(H,86,87)/b29-25-,31-27-,32-28-,36-34-,37-35-/t72?,73-,74-/m1/s1
HMDB57607	CL(16:1(9Z)/18:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-35,37-38,42,50,54,73-75,80H,5-20,22-24,26,29-30,36,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,31-27-,32-28-,35-33-,37-34-,42-38-,54-50-/t73?,74-,75-/m1/s1
HMDB57604	CL(16:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB57605	CL(16:1(9Z)/18:1(9Z)/16:1(9Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C77H142O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h27-28,31-36,71-73,78H,5-26,29-30,37-70H2,1-4H3,(H,83,84)(H,85,86)/b31-27-,32-28-,35-33-,36-34-/t72-,73-/m1/s1
HMDB57602	CL(16:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,36,38-39,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,29,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,32-28-,36-33-,39-38-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57603	CL(16:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,48-44-,60-56-/t77?,78-,79-/m1/s1
HMDB57600	CL(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,36-37,40-43,48,50,52,54,81-83,88H,5-8,11-12,15-20,23-24,29-30,35,38-39,44-47,49,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-/t81?,82-,83-/m1/s1
HMDB57601	CL(16:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,43,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-42,44-45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-,58-54-/t75?,76-,77-/m1/s1
HMDB52455	TG(18:2(9Z,12Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(59)62-55-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-58(60)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h19,22,28,31,56H,4-18,20-21,23-27,29-30,32-55H2,1-3H3/b22-19-,31-28-
HMDB06680	Disialyllacto-N-hexaose II	CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OCC1OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC2OC(COC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C(O)C(OC3OC(CO)C(O)C(OC4(CC(O)C(NC(C)=O)C(O4)C(O)C(O)CO)C(O)=O)C3O)C2NC(C)=O)C1O	InChI=1S/C62H102N4O47/c1-16(74)63-31-20(78)5-61(59(96)97,111-50(31)36(85)23(81)8-68)101-15-30-40(89)49(109-58-46(95)53(39(88)27(12-72)103-58)113-62(60(98)99)6-21(79)32(64-17(2)75)51(112-62)37(86)24(82)9-69)34(66-19(4)77)55(105-30)110-52-41(90)29(106-57(45(52)94)107-47(25(83)10-70)35(84)22(80)7-67)14-100-54-33(65-18(3)76)42(91)48(28(13-73)104-54)108-56-44(93)43(92)38(87)26(11-71)102-56/h7,20-58,68-73,78-95H,5-6,8-15H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,96,97)(H,98,99)
HMDB06681	Disialyllacto-N-hexaose I	CC(=O)NC1C(O)OC(CC1C(O)C(O)CO)(OC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(O)C(COC4OC(CO)C(OC5OC(COC6(CC(O)C(NC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C2NC(C)=O)C1O)C(O)=O	InChI=1S/C62H102N4O47/c1-16(74)63-31-20(35(83)22(79)7-67)5-62(60(98)99,113-53(31)95)112-52-40(88)27(12-72)103-58(46(52)94)109-49-34(66-19(4)77)55(102-26(11-71)39(49)87)110-51-41(89)29(105-57(45(51)93)107-47(25(82)10-70)36(84)23(80)8-68)14-100-54-33(65-18(3)76)42(90)48(28(13-73)104-54)108-56-44(92)43(91)38(86)30(106-56)15-101-61(59(96)97)6-21(78)32(64-17(2)75)50(111-61)37(85)24(81)9-69/h8,20-58,67,69-73,78-95H,5-7,9-15H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,96,97)(H,98,99)
HMDB52456	TG(18:2(9Z,12Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h20-21,23-24,29-30,32-33,58H,4-19,22,25-28,31,34-57H2,1-3H3/b23-20-,24-21-,32-29-,33-30-
HMDB52457	TG(18:2(9Z,12Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,29,31-32,37,40,57H,4-17,19,22,24-26,28,30,33-36,38-39,41-56H2,1-3H3/b21-18-,23-20-,31-27-,32-29-,40-37-
HMDB52278	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,37-38,43,46,52,55,64H,4-8,10-11,13-16,19,22-24,30-33,35-36,39-42,44-45,47-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,55-52-
HMDB52279	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,34,37-38,43-44,46-47,52,55,64H,4-8,10-11,13-16,19,22-24,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-
HMDB52274	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-16,19,22-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-
HMDB52275	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,37,41,47,50,56,59,68H,4-16,19,22-24,31-36,38-40,42-46,48-49,51-55,57-58,60-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,41-37-,50-47-,59-56-
HMDB52276	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-
HMDB52277	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,36-37,39,41,45,47-48,50,54,56-57,59,68H,4-16,19,22-24,31-35,38,40,42-44,46,49,51-53,55,58,60-67H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,57-54-,59-56-
HMDB52270	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28-30,35,38-39,44,47,53,56,65H,4-16,18-19,22-23,27,31-34,36-37,40-43,45-46,48-52,54-55,57-64H2,1-3H3/b20-17-,24-21-,28-25-,29-26-,38-35-,39-30-,47-44-,56-53-
HMDB52271	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,37-38,43-44,46-47,52,55,64H,4-16,19,22-24,30-33,35-36,39-42,45,48-51,53-54,56-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,37-34-,38-27-,46-43-,47-44-,55-52-
HMDB52272	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,24-29,35,38,44,47,53,56,65H,4-14,16,19,21-23,30-34,36-37,39-43,45-46,48-52,54-55,57-64H2,1-3H3/b18-15-,20-17-,27-24-,28-25-,29-26-,38-35-,47-44-,56-53-
HMDB52273	TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,35,39-40,43,45,48,54,57,66H,4-16,19,22-24,31-34,36-38,41-42,44,46-47,49-53,55-56,58-65H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,57-54-
HMDB52452	TG(18:2(9Z,12Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,35,41,44,57H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34,36-40,42-43,45-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,35-33-,44-41-
HMDB52453	TG(18:2(9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,31-32,34,37,40,59H,4-6,8-9,11-15,17-18,21-22,24,26-27,30,33,35-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-31-,34-29-,40-37-
HMDB51436	TG(22:1(13Z)/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,36,38,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-35,37,39-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-,38-36-
HMDB10579	PG(16:0/20:3(8Z,11Z,14Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,39-40,43-44H,3-10,12,14-16,19,21,23-38H2,1-2H3,(H,47,48)/b13-11-,18-17-,22-20-/t39-,40+/m0/s1
HMDB10578	PG(16:0/20:3(5Z,8Z,11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,39-40,43-44H,3-16,19,21,23-25,27,29-38H2,1-2H3,(H,47,48)/b18-17-,22-20-,28-26-/t39-,40+/m0/s1
HMDB10571	PG(16:0/16:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C38H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35-36,39-40H,3-13,15,17-34H2,1-2H3,(H,43,44)/b16-14-/t35-,36+/m0/s1
HMDB10570	PG(16:0/16:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36+/m0/s1
HMDB10573	PG(16:0/18:1(11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1
HMDB10572	PG(16:0/18:0)	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m0/s1
HMDB10575	PG(16:0/18:2(9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11-,18-17-/t37-,38+/m0/s1
HMDB10574	PG(16:0/18:1(9Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1
HMDB10577	PG(16:0/18:3(9Z,12Z,15Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41-42H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1
HMDB10576	PG(16:0/18:3(6Z,9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37-38,41-42H,3-10,12,14-16,19-21,23,25-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,24-22-/t37-,38+/m0/s1
HMDB07085	DG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C38H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,25,27,36,39H,3-4,6,8-10,12,14-16,19,22-24,26,28-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,27-25-/t36-/m0/s1
HMDB07084	DG(15:0/20:4(8Z,11Z,14Z,17Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,36,39H,3-4,6,8-10,12,14-16,19,22-35H2,1-2H3/b7-5-,13-11-,18-17-,21-20-/t36-/m0/s1
HMDB07087	DG(15:0/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18,38,41H,3-16,19-37H2,1-2H3/b18-17-/t38-/m0/s1
HMDB07086	DG(15:0/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3/t38-/m0/s1
HMDB07081	DG(15:0/20:3(5Z,8Z,11Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,36,39H,3-16,19,22-24,26,28-35H2,1-2H3/b18-17-,21-20-,27-25-/t36-/m0/s1
HMDB07080	DG(15:0/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36,39H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-/m0/s1
HMDB07083	DG(15:0/20:4(5Z,8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,25,27,36,39H,3-10,12,14-16,19,22-24,26,28-35H2,1-2H3/b13-11-,18-17-,21-20-,27-25-/t36-/m0/s1
HMDB07082	DG(15:0/20:3(8Z,11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,36,39H,3-10,12,14-16,19,22-35H2,1-2H3/b13-11-,18-17-,21-20-/t36-/m0/s1
HMDB04264	14,15-Epoxy-5,8,11-eicosatrienoic acid	CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O	InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-
HMDB07088	DG(15:0/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,38,41H,3-10,12,14-16,19-37H2,1-2H3/b13-11-,18-17-/t38-/m0/s1
HMDB35844	Lucidone A	CC(=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O	InChI=1S/C24H34O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16-17,26,28H,7-11H2,1-6H3
HMDB35845	Asterosterol	CC(C)\C=C/C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C	InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,9,17-20,22-24,27H,8,10-16H2,1-5H3/b7-6-
HMDB35846	Anguidol	CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1	InChI=1S/C15H22O5/c1-8-3-4-14(6-16)9(5-8)20-12-10(17)11(18)13(14,2)15(12)7-19-15/h5,9-12,16-18H,3-4,6-7H2,1-2H3
HMDB35847	3,4,15-Scirpenetriol; (3a,4b)-form, 4-Ac	CC(=O)OC1C(O)C2OC3C=C(C)CCC3(CO)C1(C)C21CO1	InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(20)13(22-10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3
HMDB35840	Deacetylisovaltrate	CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(O)C21CO1	InChI=1S/C20H28O7/c1-11(2)5-16(22)24-8-13-9-25-19(27-17(23)6-12(3)4)18-14(13)7-15(21)20(18)10-26-20/h7,9,11-12,15,18-19,21H,5-6,8,10H2,1-4H3
HMDB35841	Citronellal	CC(CCC=C(C)C)CC=O	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
HMDB35842	(S)-Citronellal	C[C@@H](CCC=C(C)C)CC=O	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
HMDB35843	(23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione	CCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(=O)C(C)(CO)C2CC4)O1	InChI=1S/C29H44O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,20-22,30-31H,7-16H2,1-6H3
HMDB48783	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,32,36,38-39,41,54H,4-6,8-9,11-15,18,22-23,28,31,33-35,37,40,42-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB48782	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-30,32,36,39,54H,4-6,8-9,11-15,18,22-23,28,31,33-35,37-38,40-53H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,39-36-
HMDB48781	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,33-34,36-37,52H,4-6,8-9,11-15,18,22-23,29-32,35,38-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-
HMDB48780	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,34,37,52H,4-6,8-9,11-15,18,22-23,29-33,35-36,38-51H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,37-34-
HMDB35848	Monoacetoxyscirpenol	CC(=O)OCC12CCC(C)=CC1OC1C(O)C(O)C2(C)C11CO1	InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3
HMDB35849	Armillyl everninate	COC1=CC(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)=C23)C(O)=C1	InChI=1S/C24H32O6/c1-12-6-13(29-5)7-17(26)19(12)22(28)30-18-10-24(4)16-9-23(2,3)8-14(16)21(27)15(11-25)20(18)24/h6-7,14,16,18,21,25-27H,8-11H2,1-5H3
HMDB48785	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,34,37-38,41,43,46,56H,4-6,8-9,11-15,18,22-23,28,32-33,35-36,39-40,42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-,46-43-
HMDB48784	TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-27,29-31,34,37-38,41,56H,4-6,8-9,11-15,18,22-23,28,32-33,35-36,39-40,42-55H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-34-,41-38-
HMDB56951	CL(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB56950	CL(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,33,36,38-39,45,48,56,60,77-79,84H,5-20,22-24,26-32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB56953	CL(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,46,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-44-/t75?,76-,77-/m1/s1
HMDB56952	CL(18:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h10,14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,64,81-83,88H,5-9,11-13,15-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-/t81?,82-,83-/m1/s1
HMDB56955	CL(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-34,36-37,40-43,49-50,52,54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,35,38-39,44-48,51,53,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,66-62-/t81?,82-,83-/m1/s1
HMDB56954	CL(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,45,48,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-44,46-47,49-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-45-/t77?,78-,79-/m1/s1
HMDB56957	CL(18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,35,37-38,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,26-32,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,35-33-,38-37-,46-44-,58-54-/t75?,76-,77-/m1/s1
HMDB56956	CL(18:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51,53,55-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-/t81?,82-,83-/m1/s1
HMDB56959	CL(18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-48-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-49-,54-50-,64-60-,66-62-/t81?,82-,83-/m1/s1
HMDB56958	CL(18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25,33,36,38-39,45,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,26-32,34-35,37,40-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,36-33-,39-38-,48-45-,60-56-/t77?,78-,79-/m1/s1
HMDB07559	DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/0:0)	[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,35,38H,3-4,6,8-10,12,14-15,18,21-22,24,26-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,25-23-/t35-/m0/s1
HMDB07558	DG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,45,48H,3-5,7,9-11,13,15-16,21-26,28,30-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,29-27-/t45-/m0/s1
HMDB07553	DG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,43,46H,3-5,7,9-10,15-16,21,23,26,29,31-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t43-/m0/s1
HMDB07552	DG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,43,46H,3-5,7,9-10,15-16,21-24,26,28-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-/t43-/m0/s1
HMDB07551	DG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H78O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,43,46H,3-5,7,9-11,13,15-16,21-24,26,28-42H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,27-25-/t43-/m0/s1
HMDB07550	DG(20:4(8Z,11Z,14Z,17Z)/22:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,43,46H,3-5,7,9-11,13,15-17,19,21-24,26,28-42H2,1-2H3/b8-6-,14-12-,20-18-,27-25-/t43-/m0/s1
HMDB07557	DG(20:4(8Z,11Z,14Z,17Z)/24:0/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,27,29,45,48H,3-5,7,9-11,13,15-17,19,21-26,28,30-44H2,1-2H3/b8-6-,14-12-,20-18-,29-27-/t45-/m0/s1
HMDB07556	DG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-4,9-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t43-/m0/s1
HMDB07555	DG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30,43,46H,3-4,9-10,15-16,21,23,26,29,31-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t43-/m0/s1
HMDB07554	DG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-5,7,9-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t43-/m0/s1
HMDB04198	Reduced Vitamin K (phylloquinone)	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(C)C(O)C1=CC=CC=C1C2O	InChI=1S/C31H50O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24,28-29,32-33H,9-17,21H2,1-6H3/b25-20+
HMDB04194	N1-Methyl-4-pyridone-3-carboxamide	CN1C=CC(=O)C(=C1)C(N)=O	InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)
HMDB04195	5-L-Glutamyl-taurine	N[C@@H](CCC(=O)NCCS(O)(=O)=O)C(O)=O	InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1
HMDB04193	N1-Methyl-2-pyridone-5-carboxamide	CN1C=C(C=CC1=O)C(N)=O	InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)
HMDB02697	19-Norandrosterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(O)CC3CC[C@@]21[H]	InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11?,12?,13-,14+,15+,16-,18-/m0/s1
HMDB41173	1-O-p-Coumaroylglucose; b-D-form, 3'-Hydroxy, 6-O-sulfate	OC1C(COS(O)(=O)=O)OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C1O	InChI=1S/C15H18O12S/c16-8-3-1-7(5-9(8)17)2-4-11(18)27-15-14(21)13(20)12(19)10(26-15)6-25-28(22,23)24/h1-5,10,12-17,19-21H,6H2,(H,22,23,24)/b4-2+
HMDB41172	1-Methoxyphaseollin	COC1=C(O)C=CC2=C1OCC1C2OC2=C3C=CC(C)(C)OC3=CC=C12	InChI=1S/C21H20O5/c1-21(2)9-8-12-16(26-21)7-5-11-14-10-24-19-13(18(14)25-17(11)12)4-6-15(22)20(19)23-3/h4-9,14,18,22H,10H2,1-3H3
HMDB41171	Peonidin 3-lathyroside	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)C(O)=CC(O)=C2	InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1
HMDB41170	Pelargonidin 5-galactoside	OCC1OC(OC2=C3C=C(O)C(=[O+]C3=CC(O)=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1
HMDB41177	Panaxynol linoleate	CCCCCCC\C=C\CC#CC#CC(OC(=O)CCCCCCC\C=C\C\C=C/CCCCC)C=C	InChI=1S/C35H54O2/c1-4-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35(36)37-34(6-3)32-30-28-26-24-22-18-16-14-12-10-8-5-2/h6,13,15,18-20,22,34H,3-5,7-12,14,16-17,21,23-25,27,29,31,33H2,1-2H3/b15-13-,20-19+,22-18+
HMDB41176	7-Megastigmene-3,6,9-triol; (3S,5R,6S,7E,9x)-form, 9-O-b-D-Glucopyranoside	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(O)CC1(C)C	InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+
HMDB41175	1-O-Sinapoylglucose	COC1=CC(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O	InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+
HMDB41174	1-O-p-Coumaroylglucose; b-D-form, 6-O-Sulfate	OC1C(COS(O)(=O)=O)OC(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O	InChI=1S/C15H18O11S/c16-9-4-1-8(2-5-9)3-6-11(17)26-15-14(20)13(19)12(18)10(25-15)7-24-27(21,22)23/h1-6,10,12-16,18-20H,7H2,(H,21,22,23)/b6-3+
HMDB50650	TG(20:1(11Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,36-37,39,43,46,60H,4-15,17,20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-
HMDB50651	TG(20:1(11Z)/20:3n6/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,38,41,62H,4-15,17,20,22-24,31-37,39-40,42-61H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,41-38-
HMDB41179	Hericene A	CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O	InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+
HMDB41178	Helianthoside C	CC1OC(OC2C(C)OC(OC3C(O)C(COC4OCC(O)C(O)C4O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(O)CC65C)C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C)C3O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C70H114O34/c1-25-38(75)43(80)48(85)58(94-25)100-53-26(2)95-59(50(87)45(53)82)102-55-42(79)33(24-93-57-47(84)39(76)30(72)22-91-57)98-62(52(55)89)99-37-14-15-67(8)34(66(37,6)7)13-16-68(9)35(67)12-11-28-29-19-65(4,5)17-18-70(29,36(74)20-69(28,68)10)64(90)104-63-56(40(77)31(73)23-92-63)103-60-51(88)46(83)54(27(3)96-60)101-61-49(86)44(81)41(78)32(21-71)97-61/h11,25-27,29-63,71-89H,12-24H2,1-10H3
HMDB50654	TG(20:1(11Z)/20:3n6/18:3(9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32,34,37,58H,4-8,10-11,13-16,19,22-24,30-31,33,35-36,38-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-
HMDB50655	TG(20:1(11Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32,34,37-38,41,58H,4-8,10-11,13-16,19,22-24,30-31,33,35-36,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,41-38-
HMDB50656	TG(20:1(11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,60H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-
HMDB50657	TG(20:1(11Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,46,60H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-
HMDB49784	TG(18:1(9Z)/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,34,60H,4-24,26,29-33,35-59H2,1-3H3/b28-25-,34-27-
HMDB49785	TG(18:1(9Z)/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25,27-28,36,62H,4-24,26,29-35,37-61H2,1-3H3/b28-25-,36-27-
HMDB49786	TG(18:1(9Z)/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,27,29,31-32,57H,4-19,21-22,24-26,28,30,33-56H2,1-3H3/b23-20-,31-27-,32-29-
HMDB49787	TG(18:1(9Z)/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17,20,26-27,30-31,36,39,56H,4-16,18-19,21-25,28-29,32-35,37-38,40-55H2,1-3H3/b20-17-,30-26-,31-27-,39-36-
HMDB49780	TG(18:1(9Z)/18:0/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,55H,4-25,27-28,30-54H2,1-3H3/b29-26-
HMDB49781	TG(18:1(9Z)/20:0/18:1(9Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h26-27,30-31,56H,4-25,28-29,32-55H2,1-3H3/b30-26-,31-27-
HMDB49783	TG(18:1(9Z)/20:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,27-28,32-33,36,42,45,58H,4-24,26,29-31,34-35,37-41,43-44,46-57H2,1-3H3/b28-25-,32-27-,36-33-,45-42-
HMDB49788	TG(18:1(9Z)/20:0/20:2n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,17,23,26-27,31,57H,4-13,15-16,18-22,24-25,28-30,32-56H2,1-3H3/b17-14-,26-23-,31-27-
HMDB49789	TG(18:1(9Z)/20:0/20:3n6)	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32-33,36,58H,4-15,17-18,20-24,26,29-31,34-35,37-57H2,1-3H3/b19-16-,28-25-,32-27-,36-33-
HMDB51435	TG(22:1(13Z)/15:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,31,55H,4-7,9-10,12-16,18-19,21-24,28-30,32-54H2,1-3H3/b11-8-,20-17-,27-25-,31-26-
HMDB43568	TG(15:0/22:2(13Z,16Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-56(55-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-
HMDB43569	TG(15:0/22:4(7Z,10Z,13Z,16Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h16,19,25-26,28-29,31,34,52H,4-15,17-18,20-24,27,30,32-33,35-51H2,1-3H3/b19-16-,26-25-,29-28-,34-31-
HMDB43566	TG(15:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,37,40,59H,4-6,8-9,11-15,18,21-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-37-
HMDB51838	TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-30,36,38-39,41,62H,4-8,10-11,13-16,19,22-24,31-35,37,40,42-61H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-
HMDB43567	TG(15:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,37,40,46,49,59H,4-6,8-9,11-15,18,21-24,29-30,32,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-37-,49-46-
HMDB43564	TG(15:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,35,57H,4-7,9-10,12-15,18,21-24,29-32,34,36-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-33-
HMDB43565	TG(15:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,33,35,41,44,57H,4-7,9-10,12-15,18,21-24,29-32,34,36-40,42-43,45-56H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,28-26-,35-33-,44-41-
HMDB43562	TG(15:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,55H,4-7,9-10,12-15,18,21-24,28-30,32-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-
HMDB43563	TG(15:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,31,36,39,55H,4-7,9-10,12-15,18,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,31-26-,39-36-
HMDB43560	TG(15:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,33,37,40,59H,4-15,18,21-24,29-30,32,34-36,38-39,41-58H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,40-37-
HMDB00022	3-Methoxytyramine	COC1=C(O)C=CC(CCN)=C1	InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
HMDB00023	(S)-3-Hydroxyisobutyric acid	C[C@@H](CO)C(O)=O	InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
HMDB00020	p-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
HMDB00021	Iodotyrosine	N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O	InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
HMDB00026	Ureidopropionic acid	NC(=O)NCCC(O)=O	InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
HMDB00027	Tetrahydrobiopterin	CC(O)C(O)C1CNC2=C(N1)C(=O)NC(N)=N2	InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)
HMDB00024	3-O-Sulfogalactosylceramide (d18:1/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC	InChI=1S/C48H93NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h35,37,41-43,45-48,50-51,53-54H,3-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1
HMDB55197	TG(18:3(9Z,12Z,15Z)/14:1(9Z)/18:3(9Z,12Z,15Z))	CCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,50H,4-6,9,12-14,21-23,28-49H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-
HMDB32018	Phenyl salicylate	OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1	InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
HMDB32019	2,6-Dimethylbenzenethiol	CC1=CC=CC(C)=C1S	InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
HMDB32016	2,4,6-Trimethylbenzaldehyde	CC1=CC(C)=C(C=O)C(C)=C1	InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
HMDB32017	3,4,5-Trimethylbenzaldehyde	CC1=CC(C=O)=CC(C)=C1C	InChI=1S/C10H12O/c1-7-4-10(6-11)5-8(2)9(7)3/h4-6H,1-3H3
HMDB32014	2,3,6-Trimethylbenzaldehyde	CC1=CC=C(C)C(C=O)=C1C	InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-11)9(7)3/h4-6H,1-3H3
HMDB32015	Duryl aldehyde	CC1=CC(C)=C(C=O)C=C1C	InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3
HMDB32012	4-Hydroxy-3-methoxybenzenemethanol	COC1=CC(CO)=CC=C1O	InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
HMDB32013	Vanilloloside	COC1=CC(CO)=CC=C1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C14H20O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-19H,5-6H2,1H3
HMDB32010	Gibberellin A110	CC12CC(O)CC(C)(C1C(C(O)=O)C13CC(CCC21)C(=C)C3)C(O)=O	InChI=1S/C20H28O5/c1-10-6-20-7-11(10)4-5-13(20)18(2)8-12(21)9-19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)
HMDB32011	Gibberellin A112	CC12CCCC(C)(C1C(C(O)=O)C13CC(C(O)CC21)C(=C)C3)C(O)=O	InChI=1S/C20H28O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)
HMDB47434	TG(24:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,35,37,42,45,65H,4-7,9-10,12-14,16,19,21-23,25,28,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,37-35-,45-42-
HMDB47435	TG(24:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C68H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,35,37,42,45,51,54,65H,4-7,9-10,12-14,16,19,21-23,25,28,30-34,36,38-41,43-44,46-50,52-53,55-64H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,37-35-,45-42-,54-51-
HMDB47436	TG(24:0/20:2n6/o-18:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-37-39-42-45-48-51-54-57-63(65)68-61-62(60-67-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)69-64(66)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h14,17,23,26,62H,4-13,15-16,18-22,24-25,27-61H2,1-3H3/b17-14-,26-23-
HMDB47437	TG(24:0/20:3n6/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,44,47,68H,4-17,19-20,22-26,28-29,31-43,45-46,48-67H2,1-3H3/b21-18-,30-27-,47-44-
HMDB47430	TG(24:0/20:2n6/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,35,61H,4-8,10-11,13,15-16,19-20,22,24-25,28-34,36-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,35-27-
HMDB47431	TG(24:0/20:2n6/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,35,41,44,61H,4-8,10-11,13,15-16,19-20,22,24-25,28-34,36-40,42-43,45-60H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,35-27-,44-41-
HMDB47432	TG(24:0/20:2n6/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,38,40,63H,4-7,9-10,12-14,16,19,21-23,25,28,30-37,39,41-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,40-38-
HMDB47433	TG(24:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-27,29,38,40,46,49,63H,4-7,9-10,12-14,16,19,21-23,25,28,30-37,39,41-45,47-48,50-62H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-26-,40-38-,49-46-
HMDB57383	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,36-37,39-41,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,35,38,42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,43-36-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57382	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,37,39-41,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57381	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C85H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,37,39-41,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,35-36,38,42-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,52-48-,64-60-/t79?,80-,81-/m1/s1
HMDB57380	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,51-52,55-56,63-64,67-68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB47438	TG(24:0/20:3n6/14:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,35,37,58H,4-14,16,19,21-24,26,28-34,36,38-57H2,1-3H3/b18-15-,20-17-,27-25-,37-35-
HMDB47439	TG(24:0/20:3n6/16:1(9Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,36,39,60H,4-16,18-19,22-23,25,27,29-35,37-38,40-59H2,1-3H3/b20-17-,24-21-,28-26-,39-36-
HMDB57385	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C86H152O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-41-45-49-53-57-61-65-69-73-86(91)103-82(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)79-101-105(94,95)99-75-80(87)74-98-104(92,93)100-78-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-44-38-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,37-38,40-41,44,49,53,61,65,80-82,87H,5-8,10-12,14-20,22-24,27-29,31-32,34-36,39,42-43,45-48,50-52,54-60,62-64,66-79H2,1-4H3,(H,92,93)(H,94,95)/b13-9-,25-21-,30-26-,37-33-,41-40-,44-38-,53-49-,65-61-/t80?,81-,82-/m1/s1
HMDB57384	CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-35,37-38,41-45,51-52,55-56,63-64,67-68,83-85,90H,5-8,11-12,15-20,23-24,27-32,36,39-40,46-50,53-54,57-62,65-66,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,37-33-,38-34-,43-41-,44-42-,45-35-,55-51-,56-52-,67-63-,68-64-/t83?,84-,85-/m1/s1
HMDB49957	TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,32-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,17-18,20-24,30-31,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-
HMDB39735	10-Acetoxy-8-heptadecene-4,6-diyn-3-ol	CCCCCCCC(OC(C)=O)\C=C\C#CC#CC(O)CC	InChI=1S/C19H28O3/c1-4-6-7-8-12-15-19(22-17(3)20)16-13-10-9-11-14-18(21)5-2/h13,16,18-19,21H,4-8,12,15H2,1-3H3/b16-13+
HMDB01645	L-Norleucine	CCCC[C@H](N)C(O)=O	InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
HMDB01644	D-Xylulose	OC[C@@H](O)[C@H](O)C(=O)CO	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1
HMDB43323	TG(15:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,34,37-38,41,53H,4-16,18-19,21-24,28,31,33,35-36,39-40,42-52H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,37-34-,41-38-
HMDB31431	Dipropyl sulfide	CCCSCCC	InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3
HMDB31430	Dimethyl peroxide	COOC	InChI=1S/C2H6O2/c1-3-4-2/h1-2H3
HMDB31433	Sulfur	[S]	InChI=1S/S
HMDB31432	Sterols	OC1CCC2C(CCC3C4CCCC4CCC23)C1	InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2
HMDB31435	Atropine	CN1C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
HMDB31434	Bromine	BrBr	InChI=1S/Br2/c1-2
HMDB31437	(-)-Bornesitol	CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7-/m1/s1
HMDB31436	Silicic acid	O[Si](O)(O)O	InChI=1S/H4O4Si/c1-5(2,3)4/h1-4H
HMDB31438	Euphol	[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1
HMDB57207	CL(18:0/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C82H152O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-97-101(90,91)95-71-76(83)70-94-100(88,89)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,36-37,40-41,76-78,83H,5-24,27-28,31-35,38-39,42-75H2,1-4H3,(H,88,89)(H,90,91)/b29-25-,30-26-,40-36-,41-37-/t76?,77-,78-/m1/s1
HMDB38713	Erythrinasinate A	CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC(O)=C(OC)C=C1	InChI=1S/C38H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(40)32-30-35-29-31-37(41-2)36(39)34-35/h29-32,34,39H,3-28,33H2,1-2H3/b32-30+
HMDB38712	(S)-Isosclerone	OC1CCC(=O)C2=C1C=CC=C2O	InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2
HMDB38711	4,7'-Epoxy-3',4',5,9,9'-lignanepentol; (7'R,8'R)-form, 3',5-Di-Me ether, 9'-O-b-D-glucopyranoside	COC1=CC(CCCO)=CC2=C1OC(C2COC1OC(CO)C(O)C(O)C1O)C1=CC(OC)=C(O)C=C1	InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3
HMDB35542	7,9-Octacosanedione	CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC	InChI=1S/C28H54O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-8-6-4-2/h3-26H2,1-2H3
HMDB38717	Pterosin C; (10S,11R)-form, 4-O-b-D-Glucopyranoside	CC1C(O)C2=C(C1=O)C(C)=C(CCOC1OC(CO)C(O)C(O)C1O)C(C)=C2	InChI=1S/C20H28O8/c1-8-6-12-14(16(23)10(3)15(12)22)9(2)11(8)4-5-27-20-19(26)18(25)17(24)13(7-21)28-20/h6,10,13,15,17-22,24-26H,4-5,7H2,1-3H3
HMDB35544	5,7-Octacosanedione	CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC	InChI=1S/C28H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(30)26-27(29)24-6-4-2/h3-26H2,1-2H3
HMDB35547	6,8-Heptacosanedione	CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC	InChI=1S/C27H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h3-25H2,1-2H3
HMDB38714	Kelampayoside A	COC1=CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)=CC(OC)=C1OC	InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3
HMDB35549	11,13-Hexacosanedione	CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC	InChI=1S/C26H50O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-26(28)24-25(27)22-20-18-16-12-10-8-6-4-2/h3-24H2,1-2H3
HMDB35548	4,6-Heptacosanedione	CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC	InChI=1S/C27H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)25-26(28)23-4-2/h3-25H2,1-2H3
HMDB38719	Licoricesaponin E2	CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(C(O)C(O)C6O)C(O)=O)C(O)=O)C(C)(C)C5CCC34C)C1C2	InChI=1S/C42H60O16/c1-37(2)20-8-11-42(7)31(19(43)14-17-18-15-38(3)16-22(55-36(38)53)39(18,4)12-13-41(17,42)6)40(20,5)10-9-21(37)54-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h14,18,20-31,34-35,44-48H,8-13,15-16H2,1-7H3,(H,49,50)(H,51,52)
HMDB38718	Scorzonoside	COC1=C2OC(C(CO)C2=CC(\C=C\CO)=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1	InChI=1S/C27H34O12/c1-34-17-8-13(5-4-6-28)7-15-16(11-29)24(38-25(15)17)14-9-18(35-2)26(19(10-14)36-3)39-27-23(33)22(32)21(31)20(12-30)37-27/h4-5,7-10,16,20-24,27-33H,6,11-12H2,1-3H3/b5-4+
HMDB30524	2(3H)-Benzothiazolethione	SC1=NC2=CC=CC=C2S1.S=C1NC2=C(S1)C=CC=C2	InChI=1S/2C7H5NS2/c2*9-7-8-5-3-1-2-4-6(5)10-7/h2*1-4H,(H,8,9)
HMDB30525	Rhizonin A	CCC(C)C1NC(=O)C(CC2=COC=C2)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC2=COC=C2)N(C)C(=O)C(NC(=O)C(NC1=O)C(C)C)C(C)C	InChI=1S/C42H65N7O9/c1-13-26(8)35-39(53)44-33(24(4)5)38(52)45-34(25(6)7)42(56)49(12)31(19-28-14-16-57-21-28)36(50)43-30(18-23(2)3)41(55)47(10)27(9)40(54)48(11)32(37(51)46-35)20-29-15-17-58-22-29/h14-17,21-27,30-35H,13,18-20H2,1-12H3,(H,43,50)(H,44,53)(H,45,52)(H,46,51)
HMDB30526	Isovestitol	COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC=C2C1	InChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
HMDB30527	Permetin A	CCC(C)C1CC(=O)NC(CCN)C(=O)NC(C(C)CC)C(=O)NC(CCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)O1	InChI=1S/C54H92N12O12/c1-11-32(9)42-27-43(68)58-35(18-21-55)47(70)66-45(33(10)12-2)53(76)60-36(19-22-56)46(69)62-40(26-34-16-14-13-15-17-34)51(74)61-38(24-29(3)4)49(72)59-37(20-23-57)48(71)65-44(31(7)8)52(75)63-39(25-30(5)6)50(73)64-41(28-67)54(77)78-42/h13-17,29-33,35-42,44-45,67H,11-12,18-28,55-57H2,1-10H3,(H,58,68)(H,59,72)(H,60,76)(H,61,74)(H,62,69)(H,63,75)(H,64,73)(H,65,71)(H,66,70)
HMDB30520	Virginiamycin	CCC1NC(=O)C(NC(=O)C2=NC=CC=C2O)C(C)OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(CC2=CC=CC=C2)N(C)C(=O)C2CCCN2C1=O)C1=CC=CC=C1	InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)
HMDB30521	Sativan	COC1=CC(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1	InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3
HMDB30522	Citreoviridin D	COC1=C(C)C(=O)OC(\C=C/C=C/C=C\C(\C)=C\C2(C)OC(C)C(C)(O)C2O)=C1C	InChI=1S/C24H32O6/c1-15(14-23(5)22(26)24(6,27)18(4)30-23)12-10-8-9-11-13-19-16(2)20(28-7)17(3)21(25)29-19/h8-14,18,22,26-27H,1-7H3/b9-8+,12-10-,13-11-,15-14+
HMDB30523	Citreoviridin C	COC1=C(C)C(=O)OC(\C=C/C=C/C=C\C(\C)=C\C2(C)OC(C)C(C)(O)C2O)=C1	InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-13-19(27-6)16(2)20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9-,12-10-,15-14+
HMDB30528	Janthitrem B	CC(=C)C1OC2CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC3(O)C2=CC1O	InChI=1S/C37H47NO5/c1-18(2)31-27(39)16-25-28(42-31)10-11-35(7)36(8)19(9-12-37(25,35)41)13-23-21-14-22-20(15-26(21)38-32(23)36)24-17-33(3,4)43-34(5,6)29(24)30(22)40/h14-17,19,27-31,38-41H,1,9-13H2,2-8H3
HMDB30529	Janthitrem E	CC(C)(O)C1OC2CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC3(O)C2=CC1O	InChI=1S/C37H49NO6/c1-32(2)17-23-19-15-25-20(14-21(19)29(40)28(23)34(5,6)44-32)22-13-18-9-12-37(42)24-16-26(39)31(33(3,4)41)43-27(24)10-11-35(37,7)36(18,8)30(22)38-25/h14-18,26-29,31,38-42H,9-13H2,1-8H3
HMDB33877	1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(O)=C(O)C=C2)=CC=C1O.COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC(O)=C(O)C=C2)=CC=C1O	InChI=1S/2C20H18O6/c2*1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3;2-12,22-25H,1H3/b6-2+,7-3+;6-2+,7-3+,16-12-
HMDB33876	Dehydrodiferulic dilactone	COC1=CC(=CC=C1O)C1OC(=O)C2C(OC(=O)C12)C1=CC(OC)=C(O)C=C1	InChI=1S/C20H18O8/c1-25-13-7-9(3-5-11(13)21)17-15-16(20(24)27-17)18(28-19(15)23)10-4-6-12(22)14(8-10)26-2/h3-8,15-18,21-22H,1-2H3
HMDB33875	2,3-Dihydrothiophene	C1CC=CS1	InChI=1S/C4H6S/c1-2-4-5-3-1/h1,3H,2,4H2
HMDB33874	Piperanine	O=C(\C=C\CCC1=CC2=C(OCO2)C=C1)N1CCCCC1	InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2/b7-3+
HMDB33873	alpha-Spinasterol	CCC(\C=C\C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)C	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+
HMDB33872	3-Pentadecylphenol	CCCCCCCCCCCCCCCC1=CC(O)=CC=C1	InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
HMDB33871	Benzylamine	NCC1=CC=CC=C1	InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
HMDB33870	Butyramide	CCCC(N)=O	InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
HMDB33879	Mammea B/AD cyclo D	CCCC1=CC(=O)OC2=C1C(O)=C(C(=O)C(C)C)C1=C2C=CC(C)(C)O1	InChI=1S/C21H24O5/c1-6-7-12-10-14(22)25-19-13-8-9-21(4,5)26-20(13)16(17(23)11(2)3)18(24)15(12)19/h8-11,24H,6-7H2,1-5H3
HMDB33878	(S)-Curzeone	CC1CCC2=C(C3=C(OC=C3C)C=C2C)C1=O	InChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-12-13(10(3)7-17-12)14(11)15(8)16/h6-8H,4-5H2,1-3H3
HMDB35097	beta-Costol	CC12CCCC(=C)C1CC(CC2)C(=C)CO	InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13-14,16H,1-2,4-10H2,3H3
HMDB35096	Cofaryloside	CC1(CCCC2(C)C1CCC13CC(CCC21O)C(O)(CO)C3)C(=O)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C26H42O10/c1-22(21(32)36-20-19(31)18(30)17(29)15(11-27)35-20)6-3-7-23(2)16(22)5-8-24-10-14(4-9-26(23,24)34)25(33,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3
HMDB35095	7-Ethoxy-4-methyl-2H-1-benzopyran-2-one	CCOC1=CC2=C(C=C1)C(C)=CC(=O)O2	InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
HMDB35094	L-Citronellol	C[C@H](CCO)CCC=C(C)C	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
HMDB35093	D-Citronellol	C[C@@H](CCO)CCC=C(C)C	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
HMDB35092	Citral	CC(C)=CCCC(C)=CC=O	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
HMDB35091	beta-Citraurin	C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C	InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+
HMDB35090	Ganoderic acid Y	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C	InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24-25,31H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+
HMDB35099	gamma-Crocetin	COC(=O)C(\C)=C/C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC	InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11-,18-12+,19-15+,20-16-
HMDB35098	(all-E)-Crocetin	C\C(\C=C\C=C(/C)C(O)=O)=C\C=C\C=C(/C)\C=C\C=C(\C)C(O)=O	InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9-,16-10+,17-13+,18-14-
HMDB56160	DG(16:1n7/0:0/20:3n9)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20-23,26,28,37,40H,3-16,19,24-25,27,29-36H2,1-2H3/b18-17-,22-20-,23-21+,28-26-
HMDB56161	DG(16:1n7/0:0/22:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,23,25,39,42H,3-16,19-22,24,26-38H2,1-2H3/b18-17-,25-23+
HMDB56162	DG(16:1n7/0:0/24:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCC=CCCCCCCCC	InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,25,27,41,44H,3-16,19-24,26,28-40H2,1-2H3/b18-17-,27-25+
HMDB56163	DG(16:1n7/0:0/18:2n6)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,18-20,22,36,39H,3-12,14,16-17,21,23-35H2,1-2H3/b15-13-,19-18-,22-20+
HMDB56164	DG(16:1n7/0:0/18:3n6)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,35,38H,3-10,12,14-16,20,23,25-34H2,1-2H3/b13-11-,18-17-,21-19+,24-22-
HMDB56165	DG(16:1n7/0:0/20:2n6)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h9,11,15,17,20,22,36,39H,3-8,10,12-14,16,18-19,21,23-35H2,1-2H3/b11-9-,17-15-,22-20+
HMDB56166	DG(16:1n7/0:0/20:3n6)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20-23,37,40H,3-10,12,14-16,19,24-36H2,1-2H3/b13-11-,18-17-,22-20-,23-21+
HMDB56167	DG(16:1n7/0:0/20:4n6)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20-23,26,28,37,40H,3-10,12,14-16,19,24-25,27,29-36H2,1-2H3/b13-11-,18-17-,22-20-,23-21+,28-26-
HMDB56168	DG(16:1n7/0:0/22:2n6)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,23,25,39,42H,3-10,12,14-16,19-22,24,26-38H2,1-2H3/b13-11-,18-17-,25-23+
HMDB56169	DG(16:1n7/0:0/22:4n6)	CCCCCCCCC=CCCCCCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-26,39,42H,3-10,12,14-16,19,22,27-38H2,1-2H3/b13-11-,18-17-,21-20-,25-23+,26-24-
HMDB41991	pitavastatin	[H]\C(=C(\[H])[C@](O)([H])C[C@](O)([H])CC(=O)O)C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1	InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
HMDB41990	piritramide	OC(=N)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)N1CCCCC1	InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
HMDB41993	pivaloylcarnitine	CC(C)(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C	InChI=1S/C12H23NO4/c1-12(2,3)11(16)17-9(7-10(14)15)8-13(4,5)6/h9H,7-8H2,1-6H3
HMDB41992	pivalic acid	CC(C)(C)C(O)=O	InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
HMDB41997	pregnanetriolone	[H][C@@](C)(O)[C@@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C(=O)C[C@]12C	InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1
HMDB41996	pranoprofen	CC(C(O)=O)C1=CC2=C(OC3=C(C2)C=CC=N3)C=C1	InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
HMDB41999	propiverine	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3
HMDB41998	prolintane	CCCC(CC1=CC=CC=C1)N1CCCC1	InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3
HMDB09924	PIP(16:0/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h13,15,35,38-43,46-49H,3-12,14,16-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b15-13-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09925	PIP(16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h17-18,35,38-43,46-49H,3-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09926	PIP(16:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h11,13,17-18,35,38-43,46-49H,3-10,12,14-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,18-17-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09927	PIP(16:0/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-18,37,40-45,48-51H,3-16,19-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b18-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09920	PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O	InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
HMDB44311	TG(16:0/20:2n6/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h13,16,20,22-23,25,51H,4-12,14-15,17-19,21,24,26-50H2,1-3H3/b16-13-,23-20-,25-22-
HMDB09922	PIP(16:0/22:4(10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13,17-18,20-21,39,42-47,50-53H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
HMDB09923	PIP(16:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C43H84O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h35,38-43,46-49H,3-34H2,1-2H3,(H,53,54)(H2,50,51,52)/t35-,38?,39?,40?,41?,42-,43+/m1/s1
HMDB09928	PIP(16:0/20:2(11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,37,40-45,48-51H,3-10,12,14-16,19-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB09929	PIP(16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h17-18,20,22,26,28,37,40-45,48-51H,3-16,19,21,23-25,27,29-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b18-17-,22-20-,28-26-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
HMDB30380	Brevianamide B	CC1(C)C2CC34CCCN3C(=O)C2(CC11NC2=C(C=CC=C2)C1=O)NC4=O	InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)
HMDB30381	Roquefortine	CC(C)(C=C)C12CC3N(C1NC1=C2C=CC=C1)C(=O)\C(NC3=O)=C/C1=CNC=N1	InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+
HMDB30382	2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone	O=C1C=C(CCCCC2=CC3=C(OCO3)C=C2)NC2=C1C=CC=C2	InChI=1S/C20H19NO3/c22-18-12-15(21-17-8-4-3-7-16(17)18)6-2-1-5-14-9-10-19-20(11-14)24-13-23-19/h3-4,7-12H,1-2,5-6,13H2,(H,21,22)
HMDB30383	Zapotidine	CN1CCC2=CN=CN2C1=S	InChI=1S/C7H9N3S/c1-9-3-2-6-4-8-5-10(6)7(9)11/h4-5H,2-3H2,1H3
HMDB30384	Gravacridonechlorine	CN1C2=C(C=CC=C2)C(=O)C2=C1C1=C(OC(C1)C(C)(Cl)CO)C=C2O	InChI=1S/C19H18ClNO4/c1-19(20,9-22)15-7-11-14(25-15)8-13(23)16-17(11)21(2)12-6-4-3-5-10(12)18(16)24/h3-6,8,15,22-23H,7,9H2,1-2H3
HMDB30385	2,4,8-Eicosatrienoic acid isobutylamide	CCCCCCCCCCC\C=C/CC\C=C\C=C/C(=O)NCC(C)C	InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h14-15,18-21,23H,4-13,16-17,22H2,1-3H3,(H,25,26)/b15-14-,19-18+,21-20-
HMDB30386	Myosmine	C1CN=C(C1)C1=CN=CC=C1	InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
HMDB36743	alpha-Amyrin tetratriacontanoate	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C	InChI=1S/C64H116O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-58(65)66-57-46-48-62(7)55(60(57,4)5)45-49-64(9)56(62)43-42-54-59-53(3)52(2)44-47-61(59,6)50-51-63(54,64)8/h42,52-53,55-57,59H,10-41,43-51H2,1-9H3
HMDB30388	9-(beta-D-Ribofuranosyl)zeatin	C\C(CO)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O	InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+
HMDB30389	Quebrachidine	COC(=O)C12C3CC4(C(NC5=C4C=CC=C5)C4CC1\C(CN34)=C/C)C2O	InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-
HMDB33992	4',7-Dihydroxyisoflavone; 4',7-Di-O-b-D-glucopyranoside	OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC=C3C2=O)C(O)C(O)C1O	InChI=1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2
HMDB36741	1-Hydroxy-2,12,15-heneicosatrien-4-one	CCCCC\C=C\C\C=C\CCCCCCCC(=O)\C=C\CO	InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,17,19,22H,2-5,8,11-16,18,20H2,1H3/b7-6+,10-9+,19-17+
HMDB33994	Isoformononetin	COC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1	InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
HMDB36747	ent-7-Oxo-8(14),15-pimaradien-19-oic acid	CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C	InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)
HMDB36744	alpha-Amyrin cerotate	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C	InChI=1S/C56H100O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-50(57)58-49-38-40-54(7)47(52(49,4)5)37-41-56(9)48(54)35-34-46-51-45(3)44(2)36-39-53(51,6)42-43-55(46,56)8/h34,44-45,47-49,51H,10-33,35-43H2,1-9H3
HMDB36745	(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate	CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C5CCC34C)C2=C1C)C(O)=O	InChI=1S/C34H50O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19,24-26,28H,11-18H2,1-9H3,(H,37,38)
HMDB52405	TG(18:2(9Z,12Z)/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25-28,32,34,51H,4-7,9-10,12-16,18,21,23-24,29-31,33,35-50H2,1-3H3/b11-8-,20-17-,22-19-,27-25-,28-26-,34-32-
HMDB08031	PC(18:0/14:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
HMDB08030	PC(16:1(9Z)/P-18:1(9Z))	CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C	InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h17,19-21,34,37,41H,6-16,18,22-33,35-36,38-40H2,1-5H3/b19-17-,21-20-,37-34-
HMDB08033	PC(18:0/15:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC	InChI=1S/C41H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1
HMDB08032	PC(18:0/14:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13,15,38H,6-12,14,16-37H2,1-5H3/b15-13-/t38-/m1/s1
HMDB08035	PC(18:0/16:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h17,19,40H,6-16,18,20-39H2,1-5H3/b19-17-/t40-/m1/s1
HMDB08034	PC(18:0/16:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
HMDB08037	PC(18:0/18:1(11Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,42H,6-16,18,20-41H2,1-5H3/b19-17-/t42-/m1/s1
HMDB08036	PC(18:0/18:0)	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
HMDB08039	PC(18:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1
HMDB08038	PC(18:0/18:1(9Z))	CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m1/s1
HMDB32838	Dorsteniol	CC(O)(CO)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2	InChI=1S/C14H14O5/c1-14(17,7-15)12-5-9-4-8-2-3-13(16)19-10(8)6-11(9)18-12/h2-4,6,12,15,17H,5,7H2,1H3
HMDB32839	Citronellyl beta-sophoroside	CC(CCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)CCC=C(C)C	InChI=1S/C22H40O11/c1-11(2)5-4-6-12(3)7-8-30-22-20(18(28)16(26)14(10-24)32-22)33-21-19(29)17(27)15(25)13(9-23)31-21/h5,12-29H,4,6-10H2,1-3H3
HMDB32834	7-Acetoxy-6-hydroxylimonin	CC(=O)OC1C(O)C2C(C)(C)OC3CC(=O)OCC23C2CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1	InChI=1S/C28H34O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,18-22,31H,6,8,10,12H2,1-5H3
HMDB32835	12-Oleanene-3,16,21,22,28-pentol; (3b,16a,21b,22a)-form, 22-Angeloyl	C\C=C(\C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO	InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)30(3,4)17-22-21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(38)35(22,28)19-36/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10-
HMDB32836	Lucyoside R	CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O	InChI=1S/C36H58O11/c1-31(2)13-19-18-7-8-23-32(3)14-20(39)28(47-29-27(43)26(42)25(41)21(16-37)46-29)33(4,17-38)22(32)9-10-35(23,6)34(18,5)11-12-36(19,30(44)45)15-24(31)40/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)
HMDB32837	Ganoderic acid DM	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O	InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+
HMDB32830	Matairesinol; (-)-form, 4'-O-[b-D-Apiofuranosyl-(1-&gt;2)-b-D-glucopyranoside]	COC1=CC(CC2C(CC3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3)COC2=O)=CC=C1O	InChI=1S/C31H40O15/c1-40-21-9-16(3-5-19(21)34)8-18-17(12-42-28(18)38)7-15-4-6-20(22(10-15)41-2)44-29-26(25(36)24(35)23(11-32)45-29)46-30-27(37)31(39,13-33)14-43-30/h3-6,9-10,17-18,23-27,29-30,32-37,39H,7-8,11-14H2,1-2H3
HMDB32831	12-Oleanene-3,16,21,22,23,28-hexol; (3b,16a,21b,22a)-form, 22-Angeloyl	C\C=C(\C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO	InChI=1S/C35H56O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,22-28,36-40H,11-19H2,1-8H3/b20-9-
HMDB32832	12-Oleanene-3,16,21,22,23,28-hexol; (3b,16a,21b,22a)-form, 23-Aldehyde, 22-angeloyl	C\C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO	InChI=1S/C35H54O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,18,22-28,37-40H,11-17,19H2,1-8H3/b20-9+
HMDB32833	Cassiaside B2	COC1=CC2=CC3=C(C(=O)C=C(C)O3)C(O)=C2C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1	InChI=1S/C39H52O25/c1-11-3-14(42)22-15(58-11)5-12-4-13(55-2)6-16(21(12)27(22)47)59-38-32(52)29(49)24(44)19(62-38)10-57-37-34(54)35(26(46)18(8-41)61-37)64-39-33(53)30(50)25(45)20(63-39)9-56-36-31(51)28(48)23(43)17(7-40)60-36/h3-6,17-20,23-26,28-41,43-54H,7-10H2,1-2H3
HMDB28864	Hydroxyprolyl-Hydroxyproline	OC1CNC(C1)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C10H16N2O5/c13-5-1-7(11-3-5)9(15)12-4-6(14)2-8(12)10(16)17/h5-8,11,13-14H,1-4H2,(H,16,17)
HMDB34176	Pyrazine	C1=CN=CC=N1	InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
HMDB28866	Hydroxyprolyl-Isoleucine	CCC(C)C(N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C11H20N2O4/c1-3-6(2)9(12)10(15)13-5-7(14)4-8(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)
HMDB07193	DG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,24,26,37,40H,3-5,7,9-11,16-17,19,21-23,25,27-36H2,1-2H3/b8-6-,14-12-,15-13-,20-18-,26-24-/t37-/m0/s1
HMDB28867	Hydroxyprolyl-Leucine	CC(C)CC(N)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C11H20N2O4/c1-6(2)3-8(12)10(15)13-5-7(14)4-9(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)
HMDB07192	DG(18:1(11Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,37,40H,3-5,7,9-11,16-17,19,21-36H2,1-2H3/b8-6-,14-12-,15-13-,20-18-/t37-/m0/s1
HMDB28860	Hydroxyprolyl-Cysteine	NC(CS)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C8H14N2O4S/c9-5(3-15)7(12)10-2-4(11)1-6(10)8(13)14/h4-6,11,15H,1-3,9H2,(H,13,14)
HMDB07191	DG(18:1(11Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,37,40H,3-11,16-17,19,21-23,25,27-36H2,1-2H3/b14-12-,15-13-,20-18-,26-24-/t37-/m0/s1
HMDB28861	Hydroxyprolyl-Glutamine	NC(CCC(N)=O)C(=O)N1CC(O)CC1C(O)=O	InChI=1S/C10H17N3O5/c11-6(1-2-8(12)15)9(16)13-4-5(14)3-7(13)10(17)18/h5-7,14H,1-4,11H2,(H2,12,15)(H,17,18)
HMDB09076	PE(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,43H,3-10,12,14-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1
HMDB09077	PE(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,43H,3-4,6,8-10,12,14-16,20,24-25,27,29-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-/t43-/m1/s1
HMDB09074	PE(18:1(9Z)/22:2(13Z,16Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,43H,3-10,12,14-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,23-18-/t43-/m1/s1
HMDB07190	DG(18:1(11Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,37,40H,3-11,16-17,19,21-36H2,1-2H3/b14-12-,15-13-,20-18-/t37-/m0/s1
HMDB09072	PE(18:1(9Z)/22:0)	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC	InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,43H,3-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b23-18-/t43-/m1/s1
HMDB09073	PE(18:1(9Z)/22:1(13Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17-19,23,43H,3-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b19-17-,23-18-/t43-/m1/s1
HMDB09070	PE(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,41H,3-4,6,8-10,12,14-16,20,23,25-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,24-22-/t41-/m1/s1
HMDB09071	PE(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,41H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
HMDB10683	PG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24,28,30,41-42,45-46H,3-5,7,9-11,13,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
HMDB09078	PE(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,32,34,43H,3-4,6,8-10,12,14-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-/m1/s1
HMDB07196	DG(18:1(11Z)/20:2(11Z,14Z)/0:0)	[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39,42H,3-10,12,15,18,20-38H2,1-2H3/b13-11-,16-14-,19-17-/t39-/m0/s1
HMDB45199	TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-15,18,21-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-
HMDB10681	PG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,39-40,43-44H,3-4,6,8-10,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1
HMDB45195	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-26,28,33,36,42,45,57H,4-13,15,18,20-22,24,27,29-32,34-35,37-41,43-44,46-56H2,1-3H3/b17-14-,19-16-,26-23-,28-25-,36-33-,45-42-
HMDB45194	TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,32,35-36,39,41,44,56H,4-15,18,21-24,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,35-32-,39-36-,44-41-
HMDB10680	PG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,39-40,43-44H,3-4,6,8-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
HMDB45191	TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,36,39,45,48,60H,4-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b20-17-,28-25-,29-26-,39-36-,48-45-
HMDB45190	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33-34,36-37,42-43,45-46,58H,4-16,18-19,21-24,27,30-32,35,38-41,44,47-57H2,1-3H3/b20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-
HMDB45193	TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28-29,32-33,36,42,45,57H,4-15,17-18,21-22,24,26-27,30-31,34-35,37-41,43-44,46-56H2,1-3H3/b19-16-,23-20-,28-25-,32-29-,36-33-,45-42-
HMDB45192	TG(18:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,38,41,47,50,62H,4-16,18-19,21-24,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b20-17-,28-25-,29-26-,41-38-,50-47-
HMDB33129	3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one	CC(=O)C1=C(O)C=C(C)OC1=O	InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3
HMDB33128	4-(2-Furanyl)-3-buten-2-one	CC(=O)\C=C/C1=CC=CO1	InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4-
HMDB33121	Paraquat dichloride	[Cl-].[Cl-].C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1	InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
HMDB33120	Paraquat	C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1	InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
HMDB33123	4-Phenylpyridine	C1=CC=C(C=C1)C1=CC=NC=C1	InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
HMDB33122	Glycosminine	OC1=NC(CC2=CC=CC=C2)=NC2=CC=CC=C12.O=C1NC(CC2=CC=CC=C2)=NC2=CC=CC=C12.O=C1N=C(CC2=CC=CC=C2)NC2=CC=CC=C12	InChI=1S/3C15H12N2O/c3*18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h3*1-9H,10H2,(H,16,17,18)
HMDB33125	[8]-Dehydroshogaol	CCCCCCC\C=C\C(=O)\C=C/C1=CC(OC)=C(O)C=C1	InChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-15,21H,3-8H2,1-2H3/b10-9+,13-11-
HMDB33124	Pacific Ciguatoxin 4A	CC1C(C)C2(CCCO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C=C	InChI=1S/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9-,13-8-
HMDB33127	2-Acetylfuran	CC(=O)C1=CC=CO1	InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
HMDB33126	[10]-Dehydroshogaol	CCCCCCCCC\C=C\C(=O)\C=C/C1=CC(OC)=C(O)C=C1	InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-17,23H,3-10H2,1-2H3/b12-11+,15-13-
HMDB35133	3,7-Dimethyl-3-octene-1,2,6,7-tetrol	C\C(=C/CC(O)C(C)(C)O)C(O)CO	InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h4,8-9,11-14H,5-6H2,1-3H3/b7-4+
HMDB42086	TG(14:0/14:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,48H,4-6,8-9,11-15,17-18,20-22,25,28-47H2,1-3H3/b10-7-,19-16-,24-23-,27-26-
HMDB42087	TG(14:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,32,35,48H,4-6,8-9,11-15,17-18,20-22,25,28-31,33-34,36-47H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,35-32-
HMDB42084	TG(14:0/14:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H88O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,16,19,23-24,46H,4-6,8-9,11-15,17-18,20-22,25-45H2,1-3H3/b10-7-,19-16-,24-23-
HMDB42085	TG(14:0/14:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,16,19,23-24,28,30,46H,4-6,8-9,11-15,17-18,20-22,25-27,29,31-45H2,1-3H3/b10-7-,19-16-,24-23-,30-28-
HMDB42082	TG(14:0/14:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h16,19,23-24,26-27,29,32,50H,4-15,17-18,20-22,25,28,30-31,33-49H2,1-3H3/b19-16-,24-23-,27-26-,32-29-
HMDB42083	TG(14:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h16,19,23-24,26-27,29,32,37,40,50H,4-15,17-18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b19-16-,24-23-,27-26-,32-29-,40-37-
HMDB42080	TG(14:0/14:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h16,19,23-24,26-27,32,35,48H,4-15,17-18,20-22,25,28-31,33-34,36-47H2,1-3H3/b19-16-,24-23-,27-26-,35-32-
HMDB42081	TG(14:0/14:0/22:2(13Z,16Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h16,19,23-24,50H,4-15,17-18,20-22,25-49H2,1-3H3/b19-16-,24-23-
HMDB42088	TG(14:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,29,32,50H,4-6,8-9,11-15,17-18,20-22,25,28,30-31,33-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,32-29-
HMDB42089	TG(14:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC	InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-15,17-18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,32-29-,40-37-
HMDB37925	Tragopogonsaponin K	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	InChI=1S/C50H72O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-13,15,29-35,37-43,51-55,57-59H,14,16-25H2,1-7H3/b15-10+
HMDB37924	Tragopogonsaponin J	COC1=CC(CCC(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)=CC=C1O	InChI=1S/C57H84O22/c1-52(2)19-20-57(51(71)79-50-46(76-37(62)14-10-26-9-12-29(59)31(21-26)72-8)44(30(60)25-73-50)77-48-42(67)39(64)38(63)32(24-58)74-48)28(22-52)27-11-13-34-54(5)17-16-36(75-49-43(68)40(65)41(66)45(78-49)47(69)70)53(3,4)33(54)15-18-55(34,6)56(27,7)23-35(57)61/h9,11-12,21,28,30,32-36,38-46,48-50,58-61,63-68H,10,13-20,22-25H2,1-8H3,(H,69,70)
HMDB37927	Quercetin 7-xyloside	OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C(O)=C2)C(O)C1O	InChI=1S/C20H18O11/c21-9-2-1-7(3-10(9)22)19-17(27)16(26)14-11(23)4-8(5-13(14)31-19)30-20-18(28)15(25)12(24)6-29-20/h1-5,12,15,18,20-25,27-28H,6H2
HMDB37926	Tragopogonsaponin L	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)CCC1=CC=C(O)C=C1	InChI=1S/C50H74O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-9,11-13,29-35,37-43,51-55,57-59H,10,14-25H2,1-7H3
HMDB37921	Aureol	OC1=CC=C2C(OC3=C2C(=O)OC2=CC(O)=CC(O)=C32)=C1	InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-14-12(8)15(19)21-11-5-7(17)3-9(18)13(11)14/h1-5,16-18H
HMDB37920	3'-(gamma,gamma-Dimethylallyl)genistein	CC(C)=CCC1=CC(=CC=C1O)C1=COC2=C(C(O)=CC(O)=C2)C1=O	InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
HMDB37923	Tragopogonsaponin G	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)CCC1=CC=C(O)C=C1	InChI=1S/C56H82O21/c1-51(2)20-21-56(50(70)77-49-45(74-36(61)15-10-26-8-11-27(58)12-9-26)43(30(59)25-71-49)75-47-41(66)38(63)37(62)31(24-57)72-47)29(22-51)28-13-14-33-53(5)18-17-35(73-48-42(67)39(64)40(65)44(76-48)46(68)69)52(3,4)32(53)16-19-54(33,6)55(28,7)23-34(56)60/h8-9,11-13,29-35,37-45,47-49,57-60,62-67H,10,14-25H2,1-7H3,(H,68,69)
HMDB37922	Phaseol	CC(C)=CCC1=C2OC(=O)C3=C(OC4=CC(O)=CC=C34)C2=CC=C1O	InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-18(12)25-20(23)17-13-6-4-11(21)9-16(13)24-19(14)17/h3-4,6-9,21-22H,5H2,1-2H3
HMDB45731	TG(20:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,30,36,39,56H,4-7,9-10,12-16,18-19,22-23,25,27-29,31-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,24-21-,30-26-,39-36-
HMDB45730	TG(20:0/18:1(11Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,30,56H,4-7,9-10,12-16,18-19,22-23,25,27-29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,30-26-
HMDB45733	TG(20:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,33,35,41,44,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-32,34,36-40,42-43,45-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-33-,44-41-
HMDB45732	TG(20:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,33,35,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-32,34,36-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-33-
HMDB37929	Tragopogonsaponin M	COC1=CC(CCC(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)=CC=C1O	InChI=1S/C51H76O16/c1-46(2)19-20-51(28(22-46)27-11-13-34-48(5)17-16-35(55)47(3,4)33(48)15-18-49(34,6)50(27,7)23-36(51)56)45(61)67-44-42(65-37(57)14-10-26-9-12-29(53)31(21-26)62-8)41(30(54)25-63-44)66-43-40(60)39(59)38(58)32(24-52)64-43/h9,11-12,21,28,30,32-36,38-44,52-56,58-60H,10,13-20,22-25H2,1-8H3
HMDB37928	3,3',4',5,7-Pentahydroxyflavone; 3-O-[a-L-Rhamnopyranosyl-(1-&gt;2)-a-L-arabinopyranoside]	CC1OC(OC2C(O)C(O)COC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C26H28O15/c1-8-17(32)20(35)21(36)25(38-8)41-24-18(33)14(31)7-37-26(24)40-23-19(34)16-13(30)5-10(27)6-15(16)39-22(23)9-2-3-11(28)12(29)4-9/h2-6,8,14,17-18,20-21,24-33,35-36H,7H2,1H3
HMDB45737	TG(20:0/18:1(9Z)/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h27,32,58H,4-26,28-31,33-57H2,1-3H3/b32-27-
HMDB45736	TG(20:0/18:1(11Z)/o-18:0)	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h21,24,57H,4-20,22-23,25-56H2,1-3H3/b24-21-
HMDB36038	1alpha,15-Dihydroxymarasmene	[H][C@@]12OCC3=CC[C@]4([H])C([C@H](O)O1)(C23)[C@@H](O)CCC4(C)C	InChI=1S/C15H22O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-13,16-17H,4-7H2,1-2H3/t9-,10-,11?,12+,13+,15?/m0/s1
HMDB36039	3alpha,15-Dihydroxymarasmene	CC1(C)C(O)CCC23C(O)OC4OCC(=CCC12)C34	InChI=1S/C15H22O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9-13,16-17H,4-7H2,1-2H3
HMDB42338	TG(14:0/18:1(11Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h14,17,19,22,46H,4-13,15-16,18,20-21,23-45H2,1-3H3/b17-14-,22-19-
HMDB42339	TG(14:0/18:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-
HMDB36030	Buccoxime	CC12CCC(C)(CCC1)C2=NO	InChI=1S/C10H17NO/c1-9-4-3-5-10(2,7-6-9)8(9)11-12/h12H,3-7H2,1-2H3
HMDB36031	Labienoxime	CC(C)C(=N\O)\C(C)(C)C\C=C(/C)C=C	InChI=1S/C13H23NO/c1-7-11(4)8-9-13(5,6)12(14-15)10(2)3/h7-8,10,15H,1,9H2,2-6H3/b11-8+,14-12-
HMDB36032	3beta-7-Drimene-3,11-diol	CC1=CCC2C(C)(C)C(O)CCC2(C)C1CO	InChI=1S/C15H26O2/c1-10-5-6-12-14(2,3)13(17)7-8-15(12,4)11(10)9-16/h5,11-13,16-17H,6-9H2,1-4H3
HMDB36033	7alpha-1(10-&gt;19)-Abeo-7-acetoxyobacun-9(11)-ene	CC(=O)OC1CC2C(C\C=C/C(=O)OC2(C)C)C2=CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1	InChI=1S/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6-
HMDB36034	6,6-Dimethoxy-2,5,5-trimethyl-2-hexene	COC(OC)C(C)(C)CC=C(C)C	InChI=1S/C11H22O2/c1-9(2)7-8-11(3,4)10(12-5)13-6/h7,10H,8H2,1-6H3
HMDB36035	Marasmene	[H][C@@]12OCC3=CC[C@]4([H])[C@](CO1)(CCCC4(C)C)[C@@]23[H]	InChI=1S/C15H22O2/c1-14(2)6-3-7-15-9-17-13-12(15)10(8-16-13)4-5-11(14)15/h4,11-13H,3,5-9H2,1-2H3/t11-,12+,13+,15+/m0/s1
HMDB36036	3beta-Dihydroxymarasmene	CC1(C)C(O)CCC23COC4OCC(=CCC12)C34	InChI=1S/C15H22O3/c1-14(2)10-4-3-9-7-17-13-12(9)15(10,8-18-13)6-5-11(14)16/h3,10-13,16H,4-8H2,1-2H3
HMDB36037	13-Hydroxymarasmene	CC1(CO)CCCC23COC4OCC(=CCC12)C34	InChI=1S/C15H22O3/c1-14(8-16)5-2-6-15-9-18-13-12(15)10(7-17-13)3-4-11(14)15/h3,11-13,16H,2,4-9H2,1H3
HMDB13457	PC(o-22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,51H,6-13,18-19,24-25,30-50H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t51-/m1/s1
HMDB13456	PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,51H,6-13,18-19,24-26,28,30-50H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-/t51-/m1/s1
HMDB13455	PC(o-22:2(13Z,16Z)/22:2(13Z,16Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C52H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,51H,6-13,18-19,24-50H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t51-/m1/s1
HMDB13454	PC(o-22:2(13Z,16Z)/20:2(11Z,14Z))	CCCCC\C=C/C\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C50H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,49H,6-13,18-19,24-48H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t49-/m1/s1
HMDB13453	PC(o-22:1(13Z)/22:3(10Z,13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C52H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,51H,6-14,16,18-19,24-26,28,30-50H2,1-5H3/b17-15-,22-20-,23-21-,29-27-/t51-/m1/s1
HMDB13452	PC(o-22:1(13Z)/22:2(13Z,16Z))	CCCCCCCC\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C52H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,51H,6-14,16,18-19,24-50H2,1-5H3/b17-15-,22-20-,23-21-/t51-/m1/s1
HMDB13451	PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCCCC\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,29,31,35,37,49H,6-14,16,18-19,24-28,30,32-34,36,38-48H2,1-5H3/b17-15-,22-20-,23-21-,31-29-,37-35-/t49-/m1/s1
HMDB13450	PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C52H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,39,41,51H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-38,40,42-50H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33-,41-39-/t51-/m1/s1
HMDB46424	TG(22:0/24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,38,64H,4-8,10-11,13-17,19-20,22-26,28-37,39-63H2,1-3H3/b12-9-,21-18-,38-27-
HMDB33946	2-Phenylethyl benzoate	O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1	InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
HMDB46426	TG(22:0/24:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-65H2,1-3H3/b12-9-,21-18-,30-27-,43-40-
HMDB46427	TG(22:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,40,43,49,52,66H,4-8,10-11,13-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b12-9-,21-18-,30-27-,43-40-,52-49-
HMDB46420	TG(22:0/24:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,40,43,49,52,66H,4-17,19-20,22-26,28-29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,30-27-,43-40-,52-49-
HMDB33747	()-2,2'-Iminobispropanoic acid	CC(NC(C)C(O)=O)C(O)=O	InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)
HMDB13459	PC(o-24:0/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,29,49H,6-8,10,12-14,16,18-20,22-28,30-48H2,1-5H3/b11-9-,17-15-,29-21-/t49-/m1/s1
HMDB13458	PC(o-24:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-21-19-17-15-13-11-9-7-2/h15,17,21,29,33,35,49H,6-14,16,18-20,22-28,30-32,34,36-48H2,1-5H3/b17-15-,29-21-,35-33-/t49-/m1/s1
HMDB33746	Benzenethiol	SC1=CC=CC=C1	InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
HMDB33741	Puddumin A	COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(O2)C1=CC=C(O)C=C1	InChI=1S/C22H24O10/c1-29-15-6-12(30-22-21(28)20(27)19(26)17(9-23)32-22)7-16-18(15)13(25)8-14(31-16)10-2-4-11(24)5-3-10/h2-7,14,17,19-24,26-28H,8-9H2,1H3
HMDB33740	Narirutin	CC1OC(OCC2OC(OC3=CC4=C(C(=O)CC(O4)C4=CC=C(O)C=C4)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3
HMDB33743	Neodunol	OC1=CC=C2C3COC4=CC5=C(C=CO5)C=C4C3OC2=C1	InChI=1S/C17H12O4/c18-10-1-2-11-13-8-20-15-7-14-9(3-4-19-14)5-12(15)17(13)21-16(11)6-10/h1-7,13,17-18H,8H2
HMDB33742	(S)-2-Methylbutanoic acid	CC[C@H](C)C(O)=O	InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1
HMDB46367	TG(22:0/20:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,40,43,60H,4-17,19-20,22-26,28-33,35-39,41-42,44-59H2,1-3H3/b21-18-,34-27-,43-40-
HMDB38017	2-Phenyl-3-furancarboxylic acid, 9CI; Et ester	CCOC(=O)C1=C(OC=C1)C1=CC=CC=C1	InChI=1S/C13H12O3/c1-2-15-13(14)11-8-9-16-12(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
HMDB46366	TG(22:0/20:0/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h21,24,30,35,61H,4-20,22-23,25-29,31-34,36-60H2,1-3H3/b24-21-,35-30-
HMDB58064	CL(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,35-36,39-40,43,50,54,75-77,82H,5-20,22-24,27,29,31,34,37-38,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,32-28-,36-33-,39-35-,43-40-,54-50-/t75?,76-,77-/m1/s1
HMDB46365	TG(22:0/20:0/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C69H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,66H,4-24,26-27,29-65H2,1-3H3/b28-25-
HMDB46868	TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,14,17-18,21,23,26-27,33,41,44,59H,4-8,10-11,13,15-16,19-20,22,24-25,28-32,34-40,42-43,45-58H2,1-3H3/b12-9-,17-14-,21-18-,26-23-,33-27-,44-41-
HMDB46364	TG(22:0/20:0/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-
HMDB46869	TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,37,42,45,60H,4-8,10-11,13-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-
HMDB31679	(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic acid	CCCCC\C=C\CC(O)C(O)CCCCCCCC(O)=O	InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7+
HMDB46864	TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,36,44,47,62H,4-8,10-11,13-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b12-9-,21-18-,28-25-,36-27-,47-44-
HMDB31678	Pipericine	CCCCCCCCCCCCC\C=C\C=C\C(=O)NCC(C)C	InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16+,19-18+
HMDB46865	TG(22:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,38,46,49,64H,4-8,10-11,13-17,19-20,22-24,26,29-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,28-25-,38-27-,49-46-
HMDB34289	Nonadecane	CCCCCCCCCCCCCCCCCCC	InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
HMDB46866	TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,29,33-34,41,44,59H,4-8,10-11,13-17,19,22,24-26,28,30-32,35-40,42-43,45-58H2,1-3H3/b12-9-,21-18-,23-20-,33-27-,34-29-,44-41-
HMDB34288	Nonacosane	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
HMDB50957	TG(20:3(5Z,8Z,11Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-6,8-9,11-15,17-18,20-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB46867	TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,32-33,38,40-41,43,58H,4-8,10-11,13-16,19,22-25,28-31,34-37,39,42,44-57H2,1-3H3/b12-9-,20-17-,21-18-,32-26-,33-27-,41-38-,43-40-
HMDB43068	TG(15:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,33,36,42,45,55H,4-15,17-18,20-24,26,28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,36-33-,45-42-
HMDB43067	TG(15:0/18:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,33,36,55H,4-15,17-18,20-24,26,28,31-32,34-35,37-54H2,1-3H3/b19-16-,27-25-,30-29-,36-33-
HMDB43066	TG(15:0/18:0/22:2(13Z,16Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-
HMDB43065	TG(15:0/18:0/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,37,40,53H,4-15,17-18,20-24,26,28-29,32-36,38-39,41-52H2,1-3H3/b19-16-,27-25-,31-30-,40-37-
HMDB43064	TG(15:0/18:0/20:3n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,53H,4-15,17-18,20-24,26,28-29,32-52H2,1-3H3/b19-16-,27-25-,31-30-
HMDB43063	TG(15:0/18:0/20:2n6)	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h13,16,22,25,52H,4-12,14-15,17-21,23-24,26-51H2,1-3H3/b16-13-,25-22-
HMDB43062	TG(15:0/18:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,32,35,51H,4-15,17-18,20-24,26,28-31,33-34,36-50H2,1-3H3/b19-16-,27-25-,35-32-
HMDB43060	TG(15:0/18:0/24:1(15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h25,27,57H,4-24,26,28-56H2,1-3H3/b27-25-
HMDB31673	Armillarilin	COC1=CC(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4(O)C=C(C=O)C23O)C(O)=C1	InChI=1S/C24H30O7/c1-13-6-15(30-5)7-16(26)19(13)20(27)31-18-10-22(4)17-9-21(2,3)12-23(17,28)8-14(11-25)24(18,22)29/h6-8,11,17-18,26,28-29H,9-10,12H2,1-5H3
HMDB50954	TG(20:3(5Z,8Z,11Z)/20:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34-35,37-38,44,47,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,36,39-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,38-35-,47-44-
HMDB46862	TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,42,45,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35-41,43-44,46-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,45-42-
HMDB47779	TG(14:1(9Z)/16:0/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,29,32,48H,4-14,17,20-23,26-28,30-31,33-47H2,1-3H3/b18-15-,19-16-,25-24-,32-29-
HMDB31672	Armillaribin	COC1=CC(O)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4CC(C=O)=C23)C(C)=C1	InChI=1S/C24H30O5/c1-13-6-16(28-5)8-18(26)20(13)22(27)29-19-11-24(4)17-10-23(2,3)9-14(17)7-15(12-25)21(19)24/h6,8,12,14,17,19,26H,7,9-11H2,1-5H3
HMDB47777	TG(14:1(9Z)/16:0/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h15,18,24-25,54H,4-14,16-17,19-23,26-53H2,1-3H3/b18-15-,25-24-
HMDB47776	TG(14:1(9Z)/16:0/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,18,24-25,52H,4-14,16-17,19-23,26-51H2,1-3H3/b18-15-,25-24-
HMDB47775	TG(14:1(9Z)/16:0/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,18,24-25,27,29,34,37,50H,4-14,16-17,19-23,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,25-24-,29-27-,37-34-
HMDB46863	TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34-35,37,42-43,45-46,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-
HMDB47773	TG(14:1(9Z)/16:0/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h15,18,24-25,48H,4-14,16-17,19-23,26-47H2,1-3H3/b18-15-,25-24-
HMDB31671	2,4,6-Trimethyl-1,3,5-trithiane	CC1SC(C)SC(C)S1	InChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
HMDB47771	TG(14:1(9Z)/16:0/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18-19,22,46H,4-14,16-17,20-21,23-45H2,1-3H3/b18-15-,22-19-
HMDB47770	TG(14:1(9Z)/16:0/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCC)COC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14-15,17-18,44H,4-13,16,19-43H2,1-3H3/b17-14-,18-15-
HMDB44031	TG(16:0/14:1(9Z)/16:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18-19,22,46H,4-14,16-17,20-21,23-45H2,1-3H3/b18-15-,22-19-
HMDB31670	1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione	CC1(C)N(CO)C(=O)NC1=O	InChI=1S/C6H10N2O3/c1-6(2)4(10)7-5(11)8(6)3-9/h9H,3H2,1-2H3,(H,7,10,11)
HMDB50951	TG(20:3(5Z,8Z,11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35-36,39-40,43,45,48-49,52,62H,4-15,17-18,20-24,27,30-31,33-34,37-38,41-42,44,46-47,50-51,53-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-,52-49-
HMDB44030	TG(16:0/14:1(9Z)/14:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-18,44H,4-13,16,19-43H2,1-3H3/b17-14-,18-15-
HMDB31677	5-(14-Nonadecenyl)-1,3-benzenediol	CCCC\C=C\CCCCCCCCCCCCCC1=CC(O)=CC(O)=C1	InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h5-6,20-22,26-27H,2-4,7-19H2,1H3/b6-5+
HMDB50950	TG(20:3(5Z,8Z,11Z)/20:0/22:4(7Z,10Z,13Z,16Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35-36,39-40,43,45,48,62H,4-15,17-18,20-24,27,30-31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b19-16-,28-25-,29-26-,35-32-,39-36-,43-40-,48-45-
HMDB44033	TG(16:0/14:1(9Z)/18:1(9Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15,18,24-25,48H,4-14,16-17,19-23,26-47H2,1-3H3/b18-15-,25-24-
HMDB31676	Corchoionoside A	CC(O)\C=C\C12OC1(C)CC(CC2(C)C)OC1OC(CO)C(O)C(O)C1O	InChI=1S/C19H32O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+
HMDB44032	TG(16:0/14:1(9Z)/18:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15,18-19,22,48H,4-14,16-17,20-21,23-47H2,1-3H3/b18-15-,22-19-
HMDB34283	Tetradecanal	CCCCCCCCCCCCCC=O	InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3
HMDB44035	TG(16:0/14:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,27,29,34,37,50H,4-14,16-17,19-23,26,28,30-33,35-36,38-49H2,1-3H3/b18-15-,25-24-,29-27-,37-34-
HMDB34282	Lignocerane	CCCCCCCCCCCCCCCCCCCCCCCC	InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
HMDB44034	TG(16:0/14:1(9Z)/20:1(11Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,50H,4-14,16-17,19-23,26-49H2,1-3H3/b18-15-,25-24-
HMDB44037	TG(16:0/14:1(9Z)/24:1(15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-23-20-17-14-11-8-5-2/h15,18,24-25,54H,4-14,16-17,19-23,26-53H2,1-3H3/b18-15-,25-24-
HMDB44036	TG(16:0/14:1(9Z)/22:1(13Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15,18,24-25,52H,4-14,16-17,19-23,26-51H2,1-3H3/b18-15-,25-24-
HMDB44039	TG(16:0/14:1(9Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,30,32,48H,4-14,17,20-23,26-29,31,33-47H2,1-3H3/b18-15-,19-16-,25-24-,32-30-
HMDB44038	TG(16:0/14:1(9Z)/18:2(9Z,12Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC	InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h15,18-19,22,25-26,49H,4-14,16-17,20-21,23-24,27-48H2,1-3H3/b18-15-,22-19-,26-25-
HMDB44295	TG(16:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,31,38,41,56H,4-15,18,21-24,28-30,32-37,39-40,42-55H2,1-3H3/b19-16-,20-17-,27-25-,31-26-,41-38-
HMDB44294	TG(16:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32,36,38-39,41,54H,4-15,18,21-24,28,31,33-35,37,40,42-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,32-30-,39-36-,41-38-
HMDB44299	TG(16:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,33-34,36-37,52H,4-6,8-9,11-15,18,21-24,29-32,35,38-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,36-33-,37-34-
HMDB56235	DG(20:3n9/0:0/22:1n9)	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,25,27,31,33,43,46H,3-16,21-24,26,28-30,32,34-42H2,1-2H3/b19-17-,20-18-,27-25-,33-31-
HMDB44298	TG(16:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,34,37,52H,4-6,8-9,11-15,18,21-24,29-33,35-36,38-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,37-34-
HMDB34368	Hydroxyminaline	OC(=O)C1=CC(O)=CN1	InChI=1S/C5H5NO3/c7-3-1-4(5(8)9)6-2-3/h1-2,6-7H,(H,8,9)
HMDB34369	(3beta,5alpha)-3-Hydroxypregn-16-en-20-one	CC(=O)C1=CCC2C3CCC4CC(O)CCC4(C)C3CCC12C	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3
HMDB34362	Desglucocheirotoxin	CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O	InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3
HMDB34363	Monocrotaline	CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23	InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3
HMDB34360	Myricitrin	CC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3
HMDB34361	Olitorin	CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3
HMDB34366	()-Valine	CC(C)C(N)C(O)=O	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
HMDB34367	N-gamma-L-Glutamyl-L-methionine	CSCCC(NC(=O)CCC(N)C(O)=O)C(O)=O	InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)
HMDB34364	Cepharadione A	CN1C(=O)C(=O)C2=CC3=C(OCO3)C3=C2C1=CC1=C3C=CC=C1	InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3
HMDB34365	L-Theanine	CCNC(=O)CCC(N)C(O)=O	InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
HMDB42482	TG(14:0/24:1(15Z)/15:0)	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h24-25,53H,4-23,26-52H2,1-3H3/b25-24-
HMDB15079	Demecarium	CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C	InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2
HMDB15078	Zalcitabine	NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1	InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
HMDB15077	Cycrimine	OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1	InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
HMDB15076	Hexafluronium	CC.C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2	InChI=1S/C36H42N2.C2H6/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1-2/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;1-2H3/q+2;
HMDB15075	Methantheline	CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12	InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1
HMDB15074	Meclofenamic acid	CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1	InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
HMDB15073	Salmeterol	OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1	InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
HMDB15072	Diethylpropion	CCN(CC)C(C)C(=O)C1=CC=CC=C1	InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
HMDB15070	Oxymetazoline	CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C	InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
HMDB42859	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,39,42,54H,4-7,9-10,12-15,18,21-23,28-29,34-38,40-41,43-53H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,42-39-
HMDB42858	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,30,32,38,41,53H,4-6,8-9,11-13,15,18,20-22,27-29,31,33-37,39-40,42-52H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,32-30-,41-38-
HMDB42851	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-29,31,37,40,52H,4-6,8-9,11-15,17-18,20-23,27,30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,31-29-,40-37-
HMDB29005	Phenylalanyl-Threonine	CC(O)C(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C13H18N2O4/c1-8(16)11(14)12(17)15-10(13(18)19)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)
HMDB42853	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,30-33,38-39,41-42,54H,4-7,9-10,12-16,18-19,21-23,28-29,34-37,40,43-53H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-,42-39-
HMDB42852	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,31,33,39,42,54H,4-7,9-10,12-16,18-19,21-23,28-30,32,34-38,40-41,43-53H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,33-31-,42-39-
HMDB42855	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,35,37,43,46,58H,4-7,9-10,12-16,18-19,21-23,28-34,36,38-42,44-45,47-57H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,37-35-,46-43-
HMDB42854	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,33,35,41,44,56H,4-7,9-10,12-16,18-19,21-23,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,35-33-,44-41-
HMDB42857	TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-29,31,33,36-37,40,52H,4-6,8-9,11-15,18,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-
HMDB29004	Phenylalanyl-Serine	NC(CO)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C12H16N2O4/c13-9(7-15)11(16)14-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)
HMDB48813	TG(16:1(9Z)/20:3n6/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31-32,34-35,40,43,56H,4-16,18-19,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-
HMDB48812	TG(16:1(9Z)/20:3n6/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,32,35,56H,4-16,18-19,22-23,29-31,33-34,36-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,35-32-
HMDB48811	TG(16:1(9Z)/20:3n6/18:1(9Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-30,33,54H,4-15,17-18,20,22-23,28,31-32,34-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-,33-30-
HMDB05000	Loratadine	CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=CC=CN=C13)C=C(Cl)C=C2	InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
HMDB05007	Simvastatin	[H]C12C(CC(C)C=C1C=CC(C)C2CCC1CC(O)CC(=O)O1)OC(=O)C(C)(C)CC	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3
HMDB05006	Atorvastatin	CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1	InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
HMDB05005	Tolnaftate	CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1	InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
HMDB48526	TG(16:1(9Z)/22:0/20:1(11Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,58H,4-20,22-23,25,27,29-57H2,1-3H3/b24-21-,28-26-
HMDB05009	(S)-Esomeprazole	COC1=CC2=C(NC(=N2)[S@@+]([O-])CC2=NC=C(C)C(OC)=C2C)C=C1	InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1
HMDB05008	Lansoprazole	CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1	InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
HMDB53929	TG(20:3n6/18:3(9Z,12Z,15Z)/20:3n6)	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,58H,4-8,10-11,13-15,22-24,30-31,37-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-
HMDB29009	Phenylalanyl-Gamma-glutamate	NC(CCC(O)=N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C14H19N3O4/c15-10(6-7-12(16)18)13(19)17-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)
HMDB43963	TG(16:0/20:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-53H2,1-3H3/b11-8-,20-17-,29-26-,38-35-
HMDB29008	Phenylalanyl-Valine	CC(C)C(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)
HMDB42488	TG(14:0/24:1(15Z)/14:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3/h14,17,23-24,52H,4-13,15-16,18-22,25-51H2,1-3H3/b17-14-,24-23-
HMDB42489	TG(14:0/24:1(15Z)/16:1(9Z))	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h20,23-25,54H,4-19,21-22,26-53H2,1-3H3/b23-20-,25-24-
HMDB29928	Deoxyeritadenine	NC1=NC=NC2=C1N=CN2CCC(O)C(O)=O	InChI=1S/C9H11N5O3/c10-7-6-8(12-3-11-7)14(4-13-6)2-1-5(15)9(16)17/h3-5,15H,1-2H2,(H,16,17)(H2,10,11,12)
HMDB29929	6-O-Glucosylmaltose	OCC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2
HMDB29922	Galactotriose	OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O	InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2
HMDB29923	Xanthan	CC(=O)OCC1OC(OC2C(O)C(CP)OC(CO)C2OC2OC(CO)C(OP)C(O)C2O)C(OC2OC(C(OC3OC4COC(C)(OC4C(O)C3O)C(O)=O)C(O)C2O)C(O)=O)C(O)C1O	InChI=1S/C36H58O29P2/c1-8(39)53-5-11-14(40)16(42)28(34(57-11)61-26-15(41)13(7-66)55-10(4-38)25(26)59-31-21(47)18(44)24(65-67)9(3-37)56-31)62-33-22(48)19(45)27(29(63-33)30(49)50)60-32-20(46)17(43)23-12(58-32)6-54-36(2,64-23)35(51)52/h9-29,31-34,37-38,40-48H,3-7,66-67H2,1-2H3,(H,49,50)(H,51,52)
HMDB29920	beta-D-3-Ribofuranosyluric acid	OCC1OC(C(O)C1O)N1C2=C(NC(=O)N2)C(=O)NC1=O	InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H2,11,12,19)(H,13,18,20)
HMDB29921	Neokestose	OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O	InChI=1S/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2
HMDB29926	Betadex	OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O	InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2
HMDB29927	gamma-Cyclodextrin	OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC1C(O)C2O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O	InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2
HMDB29924	Cellulose acetate	OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O.CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCC(=O)OCC1OC(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC1OC(COC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC	InChI=1S/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5;1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33;13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2
HMDB29925	Methyl cellulose	COCC1O[C@@H](O[C@@H]2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC	InChI=1S/C20H38O11/c1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h11-20H,9-10H2,1-8H3/t11?,12?,13?,14-,15?,16?,17?,18?,19?,20+/m1/s1
HMDB56233	DG(20:1n9/0:0/22:6n3)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,34,36,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,36-34-
HMDB53925	TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,32,35-37,39-41,44-45,48,50,53,62H,4-7,9-10,12-15,22-24,31,33-34,38,42-43,46-47,49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,48-45-,53-50-
HMDB10168	SM(d18:0/16:0)	[H][C@@](O)(CCCCCCCCCCCCCCC)[C@]([H])(COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC	InChI=1S/C39H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)/p+1/t37-,38+/m0/s1
HMDB10169	SM(d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30+/t37-,38+/m0/s1
HMDB10166	PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C46H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,42-43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-/t42-,43+/m1/s1
HMDB10167	PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,42-43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t42-,43+/m1/s1
HMDB10164	PS(18:0/20:0)	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC)C(O)=O	InChI=1S/C44H86NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h40-41H,3-39,45H2,1-2H3,(H,48,49)(H,50,51)/t40-,41+/m1/s1
HMDB10165	PS(18:0/20:4(8Z,11Z,14Z,17Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O	InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,40-41H,3-4,6,8-10,12,14-16,18,20-21,23,25-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,19-17-,24-22-/t40-,41+/m1/s1
HMDB10162	PIP3(18:2(9Z,12Z)/20:1(11Z))	CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O	InChI=1S/C47H88O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h12,14,17-19,21,39,42-47,50-51H,3-11,13,15-16,20,22-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b14-12-,19-17-,21-18-/t39-,42?,43?,44-,45+,46?,47?/m1/s1
HMDB10163	PS(18:0/18:1(9Z))	[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O	InChI=1S/C42H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,38-39H,3-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b20-18-/t38-,39+/m1/s1
HMDB10160	PIP3(18:1(9Z)/20:3(5Z,8Z,11Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC	InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h17-19,21-22,24,28,30,39,42-47,50-51H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43?,44-,45+,46?,47?/m1/s1
HMDB10161	PIP3(18:1(9Z)/20:3(8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@H]1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h11,13,17-19,21-22,24,39,42-47,50-51H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b13-11-,19-17-,21-18-,24-22-/t39-,42?,43?,44-,45+,46?,47?/m1/s1
HMDB03345	Alpha-D-Glucose	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
HMDB04839	Galabiosylceramide (d18:1/26:0)	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C56H107NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h37,39,44-47,49-56,58-60,62-66H,3-36,38,40-43H2,1-2H3,(H,57,61)/b39-37-/t44?,45?,46-,47-,49+,50+,51-,52-,53-,54+,55-,56-/m1/s1
HMDB04838	Galabiosylceramide (d18:1/26:1(17Z))	CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C56H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h17-18,37,39,44-47,49-56,58-60,62-66H,3-16,19-36,38,40-43H2,1-2H3,(H,57,61)/b18-17-,39-37-/t44?,45?,46-,47-,49+,50+,51-,52-,53-,54+,55-,56-/m1/s1
HMDB04835	Galabiosylceramide (d18:1/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C50H95NO13/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(55)51-38(39(54)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)37-61-49-47(60)45(58)48(41(36-53)63-49)64-50-46(59)44(57)43(56)40(35-52)62-50/h31,33,38-41,43-50,52-54,56-60H,3-30,32,34-37H2,1-2H3,(H,51,55)/b33-31-/t38?,39?,40-,41-,43+,44+,45-,46-,47-,48+,49-,50-/m1/s1
HMDB04834	Galabiosylceramide (d18:1/18:0)	CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C48H91NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h29,31,36-39,41-48,50-52,54-58H,3-28,30,32-35H2,1-2H3,(H,49,53)/b31-29-/t36?,37?,38-,39-,41+,42+,43-,44-,45-,46+,47-,48-/m1/s1
HMDB04837	Galabiosylceramide (d18:1/24:1(15Z))	CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H101NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h17-18,35,37,42-45,47-54,56-58,60-64H,3-16,19-34,36,38-41H2,1-2H3,(H,55,59)/b18-17-,37-35-/t42?,43?,44-,45-,47+,48+,49-,50-,51-,52+,53-,54-/m1/s1
HMDB04836	Galabiosylceramide (d18:1/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33-/t40?,41?,42-,43-,45+,46+,47-,48-,49-,50+,51-,52-/m1/s1
HMDB52450	TG(18:2(9Z,12Z)/18:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,26,28-29,31,35,38,55H,4-7,9-10,12-16,18,21,23-25,27,30,32-34,36-37,39-54H2,1-3H3/b11-8-,20-17-,22-19-,29-26-,31-28-,38-35-
HMDB52451	TG(18:2(9Z,12Z)/18:0/20:4(8Z,11Z,14Z,17Z))	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28-29,32-33,35,57H,4-6,8-9,11-15,17-18,21-22,24,26-27,30-31,34,36-56H2,1-3H3/b10-7-,19-16-,23-20-,28-25-,32-29-,35-33-
HMDB04833	Galabiosylceramide (d18:1/16:0)	CCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC	InChI=1S/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27-/t34?,35?,36-,37-,39+,40+,41-,42-,43-,44+,45-,46-/m1/s1
HMDB04832	Galabiosylceramide (d18:1/9Z-18:1)	CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29-/t36?,37?,38-,39-,41+,42+,43-,44-,45-,46+,47-,48-/m1/s1
HMDB46654	TG(22:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC	InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30,33,35,37,40,43,49,52,63H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,31-32,34,36,38-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,35-33-,37-30-,43-40-,52-49-
HMDB07339	DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC	InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,25,27,39,42H,3-5,7,9-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3/b8-6-,14-12-,21-18-,27-25-/t39-/m0/s1
HMDB07338	DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,37,40H,3-4,9-10,15-16,21-22,27-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m0/s1
HMDB07333	DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,23,25,37,40H,3-4,6,8-10,12,15,18,20-22,24,26-36H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,25-23-/t37-/m0/s1
HMDB07332	DG(18:4(6Z,9Z,12Z,15Z)/18:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,37,40H,3-4,6,8-10,12,14-16,18,20-22,24,26-36H2,1-2H3/b7-5-,13-11-,19-17-,25-23-/t37-/m0/s1
HMDB07331	DG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC	InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,21,23,35,38H,3-4,6,8-10,12,15,19-20,22,24-34H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,23-21-/t35-/m0/s1
HMDB07330	DG(18:4(6Z,9Z,12Z,15Z)/16:0/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC	InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,35,38H,3-4,6,8-10,12,14-16,19-20,22,24-34H2,1-2H3/b7-5-,13-11-,18-17-,23-21-/t35-/m0/s1
HMDB07337	DG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23,25,37,40H,3-4,9-10,15-16,21-22,24,26-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t37-/m0/s1
HMDB07336	DG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,37,40H,3-4,6,8-10,15-16,21-22,27-36H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m0/s1
HMDB07335	DG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23,25,37,40H,3-4,6,8-10,15-16,21-22,24,26-36H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-/t37-/m0/s1
HMDB07334	DG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/0:0)	[H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC	InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,37,40H,3-4,6,8-10,12,14-16,21-22,24,26-36H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-/t37-/m0/s1
HMDB12090	SM(d18:0/20:0)	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C43H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h41-42,46H,6-40H2,1-5H3,(H-,44,47,48,49)/t41-,42+/m0/s1
HMDB12091	SM(d18:0/22:0)	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C45H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h43-44,48H,6-42H2,1-5H3,(H-,46,49,50,51)/t43-,44+/m0/s1
HMDB12092	SM(d18:0/22:1(13Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,43-44,48H,6-19,22-42H2,1-5H3,(H-,46,49,50,51)/b21-20-/t43-,44+/m0/s1
HMDB12093	SM(d18:0/23:0)	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C46H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h44-45,49H,6-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1
HMDB12094	SM(d18:0/24:0)	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC	InChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1
HMDB12095	SM(d18:0/24:1(15Z))	CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,45-46,50H,6-19,22-44H2,1-5H3,(H-,48,51,52,53)/b21-20-/t45-,46+/m0/s1
HMDB12096	SM(d18:1/12:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC	InChI=1S/C35H71N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h26,28,33-34,38H,6-25,27,29-32H2,1-5H3,(H-,36,39,40,41)/b28-26+/t33-,34+/m0/s1
HMDB12097	SM(d18:1/14:0)	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC	InChI=1S/C37H75N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h28,30,35-36,40H,6-27,29,31-34H2,1-5H3,(H-,38,41,42,43)/b30-28+/t35-,36+/m0/s1
HMDB56362	DG(22:5n6/0:0/20:4n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,34,36,43,46H,3-5,7,9-10,15-16,21,23,26,29,31-33,35,37-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-
HMDB56363	DG(22:5n6/0:0/20:5n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C45H68O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,43,46H,3-5,7,9-10,15-16,21,23,26,29,32,35,37-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-
HMDB56360	DG(22:5n6/0:0/18:3n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,32,34,41,44H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-
HMDB56361	DG(22:5n6/0:0/18:4n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,32,34,41,44H,3-5,7,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-
HMDB56366	DG(18:3n3/0:0/18:3n3)	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-
HMDB56367	DG(18:3n3/0:0/18:4n3)	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C39H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23,25,37,40H,3-4,9-10,15-16,21-22,24,26-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-
HMDB56364	DG(22:5n6/0:0/22:5n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-
HMDB56365	DG(22:5n6/0:0/22:6n3)	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-
HMDB56368	DG(18:3n3/0:0/20:4n3)	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,39,42H,3-4,9-10,15-16,20,23,25-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-
HMDB56369	DG(18:3n3/0:0/20:5n3)	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C41H64O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24,28,30,39,42H,3-4,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-
HMDB51788	TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,34,37-38,41,43,46-47,50,52,55,64H,4-16,19,22-24,31-33,35-36,39-40,42,44-45,48-49,51,53-54,56-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,41-38-,46-43-,50-47-,55-52-
HMDB02865	Oxytocin	CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O	InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31?,35-/m0/s1
HMDB53671	TG(20:3n6/15:0/18:4(6Z,9Z,12Z,15Z))	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,36,53H,4-7,9-10,12-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-
HMDB02869	Campesterol	[H][C@@]12CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
HMDB59299	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C94H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-47-51-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-50-40-36-32-28-24-20-16-12-8-4)86-108-112(100,101)106-82-88(95)83-107-113(102,103)109-87-90(111-94(99)81-77-73-69-65-61-57-53-49-46-43-39-35-31-27-23-19-15-11-7-3)85-105-92(97)79-75-71-67-63-59-55-52-48-45-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-40,44-50,54-55,57-59,61,66-67,69-71,73,88-90,95H,5-20,24,29-31,36,41-43,51-53,56,60,62-65,68,72,74-87H2,1-4H3,(H,100,101)(H,102,103)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,47-44-,48-45-,49-46-,50-40-,58-54-,59-55-,61-57-,70-66-,71-67-,73-69-/t88?,89-,90-/m1/s1
HMDB12549	12-oxo-10,11-dihydro-20-COOH-LTB4	O[C@H](CCCC(O)=O)\C=C/C=C/CCC(=O)C\C=C/CCCCC(O)=O	InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,18,22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t18-/m0/s1
HMDB53466	TG(20:2n6/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,20-23,25,27,29-30,32,36,39,56H,4-8,10-11,14-15,17,19,24,26,28,31,33-35,37-38,40-55H2,1-3H3/b12-9-,16-13-,21-18-,23-20-,25-22-,30-27-,32-29-,39-36-
HMDB53467	TG(20:2n6/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,30,33-34,36,58H,4-6,8-9,11-13,15,18,20,22,27,29,31-32,35,37-57H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,33-30-,36-34-
HMDB53464	TG(20:2n6/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,30,32-33,35,38,41,47,50,60H,4-13,15,18,20,22,27,29,31,34,36-37,39-40,42-46,48-49,51-59H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,33-32-,35-30-,41-38-,50-47-
HMDB53465	TG(20:2n6/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12-13,16,18,20-23,25,27,29-30,32,56H,4-8,10-11,14-15,17,19,24,26,28,31,33-55H2,1-3H3/b12-9-,16-13-,21-18-,23-20-,25-22-,30-27-,32-29-
HMDB53462	TG(20:2n6/18:2(9Z,12Z)/22:2(13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC	InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,30,35,60H,4-13,15,18,20,22,27,29,31-34,36-59H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,35-30-
HMDB53463	TG(20:2n6/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,30,32-33,35,38,41,60H,4-13,15,18,20,22,27,29,31,34,36-37,39-40,42-59H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,33-32-,35-30-,41-38-
HMDB53460	TG(20:2n6/18:2(9Z,12Z)/20:3n6)	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,30,33-34,36,58H,4-13,15,18,20,22,27,29,31-32,35,37-57H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,33-30-,36-34-
HMDB53461	TG(20:2n6/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h14,16-17,19,21,23-26,28,30,33-34,36,42,45,58H,4-13,15,18,20,22,27,29,31-32,35,37-41,43-44,46-57H2,1-3H3/b17-14-,19-16-,24-21-,26-23-,28-25-,33-30-,36-34-,45-42-
HMDB53468	TG(20:2n6/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,30,33-34,36,42,45,58H,4-6,8-9,11-13,15,18,20,22,27,29,31-32,35,37-41,43-44,46-57H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,33-30-,36-34-,45-42-
HMDB53469	TG(20:2n6/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,21,23-26,28,30,32-33,35,38,41,60H,4-6,8-9,11-13,15,18,20,22,27,29,31,34,36-37,39-40,42-59H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,26-23-,28-25-,33-32-,35-30-,41-38-
HMDB54858	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,39-40,43,58H,4-7,10,13-15,22-24,29,34-35,37-38,41-42,44-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-
HMDB54859	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,38-41,43,58H,4-7,10,13-15,22-24,29,34-35,37,42,44-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-,43-40-
HMDB54856	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,39-40,42-44,47,62H,4-8,10-11,13-15,22-24,30-31,37-38,41,45-46,48-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-
HMDB54857	TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,39-40,42-44,47-48,51,62H,4-8,10-11,13-15,22-24,30-31,37-38,41,45-46,49-50,52-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-
HMDB54854	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,39-40,42-43,48,51,62H,4-6,8,11,13-15,22-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-
HMDB54855	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/o-18:0)	CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H106O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,31-33,36,39,59H,4-8,10-11,13-15,17,20,22-24,26,29-30,34-35,37-38,40-58H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,32-31-,33-27-,39-36-
HMDB54852	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-7,10,13-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-
HMDB54853	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,39-40,42-43,62H,4-6,8,11,13-15,22-24,30-31,37-38,41,44-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-
HMDB54850	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,38-39,41,58H,4-7,10,13-15,22-24,29,34-35,37,40,42-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,41-38-
HMDB54851	TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC	InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-35,37-38,41,60H,4-7,10,13-15,22-24,30,32,36,39-40,42-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-
HMDB00648	Galactosylsphingosine	CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18?,19?,20-,21+,22+,23-,24?/m1/s1
HMDB00649	Clionasterol	[H][C@@]12CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
HMDB56829	CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC	InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-54,56-58,64-65,68-69,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,55,59-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,68-64-,69-65-/t85?,86-,87-/m1/s1
HMDB00642	Erythronilic acid	C[C@H](O)[C@@H](C)C(O)=O	InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m1/s1
HMDB00643	Coproporphyrin I	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3C	InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-
HMDB00640	Glucosan	[H][C@@]12OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H]2O	InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1
HMDB00641	L-Glutamine	N[C@@H](CCC(N)=O)C(O)=O	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
HMDB00646	L-Arabinose	O[C@H]1COC(O)[C@H](O)[C@H]1O	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1
HMDB00644	Coproporphyrin IV	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C	InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)23(7-11-35(45)46)31(39-27)16-32-24(8-12-36(47)48)20(4)28(40-32)15-30-22(6-10-34(43)44)18(2)26(38-30)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
HMDB00645	Galactose 1-phosphate	OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
HMDB50477	TG(20:1(11Z)/18:1(11Z)/20:2n6)	CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC	InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-31-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h14,17,21,23-26,28,57H,4-13,15-16,18-20,22,27,29-56H2,1-3H3/b17-14-,24-21-,26-23-,28-25-
HMDB43286	TG(15:0/20:1(11Z)/16:1(9Z))	CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC	InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,51H,4-19,21-22,24,27-50H2,1-3H3/b23-20-,26-25-